data_6pv0_residue ############################ # Computer software used # ############################ 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 6pv0 _Structure_validation_residue.Date_analyzed 2020-06-19 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 ' 5' ' ' CYS . . . . . . . . . . . . . 8.3 t . . . . . 0 N--CA 1.449 -0.479 0 N-CA-C 109.347 -0.612 . . . . 0.38 109.347 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 25.8 p -109.25 13.39 24.37 Favored 'General case' 0 C--N 1.32 -0.684 0 CA-C-N 116.257 -0.429 . . . . 2.12 111.364 -175.044 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 7' ' ' TRP . . . . . . . . . . . . . 73.9 t90 . . . . . 0 C--N 1.324 -0.505 0 CA-C-N 116.326 -0.397 . . . . 1.43 109.968 179.065 . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.356 0 N-CA-C 111.026 -0.83 . . . . 0.94 111.026 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 53.1 t -82.89 66.1 8.35 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-O 121.237 0.542 . . . . 0.94 110.007 -179.485 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -82.97 58.89 5.03 Favored Glycine 0 N--CA 1.451 -0.351 0 CA-C-N 115.968 -0.56 . . . . 0.73 113.123 -176.002 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 61.1 tttp -87.03 128.63 35.09 Favored 'General case' 0 C--N 1.323 -0.546 0 N-CA-C 110.053 -0.351 . . . . 2.26 110.053 177.643 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 49.7 mtt180 -103.21 138.83 39.48 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 116.258 -0.428 . . . . 3.65 111.189 -175.46 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 86.6 m-85 -123.8 160.77 26.63 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 115.985 -0.552 . . . . 0.35 110.777 -177.844 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 10.5 m -101.22 -27.19 13.35 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 115.82 -0.627 . . . . 1.71 110.559 -177.145 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 16' ' ' ARG . . . . . 0.41 ' HB2' ' HG3' ' A' ' 19' ' ' GLU . 60.7 mtt180 -119.45 143.14 47.67 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 116.002 -0.545 . . . . 3.66 110.379 177.358 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 5.9 p -66.17 -27.73 68.23 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.633 -0.712 . . . . 1.56 111.479 -176.597 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 30.9 t70 -65.81 -34.72 78.82 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.85 0.357 . . . . 2.04 110.485 176.399 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . 0.41 ' HG3' ' HB2' ' A' ' 16' ' ' ARG . 59.4 mt-10 -64.68 -43.99 91.8 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.978 -0.556 . . . . 2.45 109.878 178.433 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 48.0 tp -68.21 -41.45 81.31 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.717 -0.674 . . . . 1.07 110.901 178.505 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 47.4 mt-30 -58.9 -49.34 78.17 Favored 'General case' 0 C--O 1.235 0.295 0 CA-C-O 121.099 0.476 . . . . 1.96 110.346 176.626 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 27.5 ttm180 -56.03 -48.76 75.37 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 115.289 -0.869 . . . . 4.02 109.96 177.822 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 40.1 t60 -60.65 -46.89 88.6 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 115.194 -0.912 . . . . 0.2 111.261 -179.908 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 57.6 tptt -56.47 -25.49 51.09 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.254 -0.43 . . . . 2.71 111.286 -177.481 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 93.2 mtt180 -60.29 -23.04 63.84 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.302 -0.408 . . . . 3.78 111.468 178.58 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 82.1 p -70.98 -37.57 72.74 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-O 120.68 0.276 . . . . 1.14 110.784 179.272 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 89.1 m-70 . . . . . 0 C--O 1.234 0.276 0 CA-C-N 116.279 -0.419 . . . . 0.43 110.428 -179.742 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 16.1 t . . . . . 0 N--CA 1.448 -0.531 0 N-CA-C 109.828 -0.434 . . . . 0.38 109.828 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 35.2 p -133.78 21.37 3.88 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 116.151 -0.477 . . . . 2.12 111.166 -177.417 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 7' ' ' TRP . . . . . . . . . . . . . 24.2 t90 . . . . . 0 C--N 1.325 -0.457 0 CA-C-N 116.295 -0.412 . . . . 1.43 110.134 -177.217 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.426 0 N-CA-C 110.985 -0.846 . . . . 0.94 110.985 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 39.7 t -84.39 130.33 34.79 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 115.161 -0.519 . . . . 0.94 110.202 -179.078 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -138.31 57.9 0.63 Allowed Glycine 0 N--CA 1.45 -0.404 0 C-N-CA 120.796 -0.716 . . . . 0.73 112.42 -177.537 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 46.1 tttp -88.36 136.57 32.92 Favored 'General case' 0 C--N 1.323 -0.568 0 N-CA-C 110.13 -0.322 . . . . 2.26 110.13 178.785 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 54.1 mtp180 -101.9 151.26 22.31 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-O 121.107 0.48 . . . . 3.65 111.12 -178.432 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 70.4 m-85 -137.79 175.54 9.5 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 115.626 -0.715 . . . . 0.35 110.491 -176.273 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 3.0 p -119.54 -22.19 7.07 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 116.107 -0.497 . . . . 1.71 111.205 -178.987 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 21.3 mtp180 -126.89 146.67 50.21 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 116.14 -0.482 . . . . 3.66 110.221 174.803 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 17' ' ' SER . . . . . 0.495 ' O ' ' HG3' ' A' ' 21' ' ' GLN . 27.8 p -62.69 -25.74 68.31 Favored 'General case' 0 C--O 1.223 -0.334 0 CA-C-N 115.847 -0.615 . . . . 1.56 110.222 179.035 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 7.8 m-20 -59.64 -42.15 92.08 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.918 -0.583 . . . . 2.04 110.363 177.001 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 49.1 mt-10 -63.13 -45.29 92.65 Favored 'General case' 0 N--CA 1.451 -0.412 0 CA-C-N 115.454 -0.794 . . . . 2.45 109.79 177.895 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 58.7 tp -65.5 -37.35 86.55 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.477 -0.783 . . . . 1.07 111.038 -179.922 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 21' ' ' GLN . . . . . 0.495 ' HG3' ' O ' ' A' ' 17' ' ' SER . 59.8 mt-30 -65.48 -53.5 41.74 Favored 'General case' 0 C--O 1.234 0.28 0 CA-C-O 120.667 0.27 . . . . 1.96 111.024 179.56 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 27.1 ptt180 -62.2 -38.61 89.78 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.903 0.382 . . . . 4.02 110.245 -179.122 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 32.6 t60 -64.14 -49.98 69.99 Favored 'General case' 0 N--CA 1.45 -0.455 0 CA-C-N 115.841 -0.618 . . . . 0.2 110.636 178.155 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 38.1 ttpt -59.76 -22.07 61.6 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.346 -0.388 . . . . 2.71 111.373 -175.452 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 25' ' ' ARG . . . . . 0.437 ' HG3' ' O ' ' A' ' 21' ' ' GLN . 74.1 mtt180 -61.52 -19.58 62.26 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.463 -0.335 . . . . 3.78 111.492 178.221 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 75.8 p -72.4 -34.82 68.18 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-O 121.105 0.479 . . . . 1.14 110.482 177.066 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 80.2 m-70 . . . . . 0 C--N 1.326 -0.432 0 CA-C-N 115.926 -0.579 . . . . 0.43 109.974 178.948 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 51.6 t . . . . . 0 N--CA 1.449 -0.485 0 N-CA-C 109.998 -0.371 . . . . 0.38 109.998 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 20.7 p -113.88 10.93 17.78 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-N 116.06 -0.518 . . . . 2.12 111.354 -177.008 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 7' ' ' TRP . . . . . . . . . . . . . 75.4 t90 . . . . . 0 C--N 1.323 -0.563 0 CA-C-N 116.201 -0.454 . . . . 1.43 110.28 -177.946 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.449 -0.486 0 N-CA-C 111.315 -0.714 . . . . 0.94 111.315 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 52.8 t -84.64 72.27 10.71 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-O 121.152 0.501 . . . . 0.94 110.232 -177.748 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -87.1 63.78 3.96 Favored Glycine 0 N--CA 1.45 -0.401 0 C-N-CA 121.152 -0.547 . . . . 0.73 112.697 -177.771 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 86.2 tttt -93.55 129.02 39.93 Favored 'General case' 0 C--N 1.325 -0.467 0 N-CA-C 109.833 -0.432 . . . . 2.26 109.833 178.265 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 81.5 mtm180 -99.11 148.41 24.08 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-O 120.945 0.402 . . . . 3.65 111.563 -175.498 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 94.4 m-85 -135.18 160.54 38.05 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.789 -0.641 . . . . 0.35 110.436 -178.229 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 5.8 m -111.08 -4.92 14.89 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-O 121.447 0.642 . . . . 1.71 110.173 178.906 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 73.5 mtp180 -125.99 135.48 51.87 Favored 'General case' 0 C--O 1.238 0.452 0 CA-C-N 115.722 -0.672 . . . . 3.66 110.414 178.121 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 55.9 p -65.71 -38.99 90.73 Favored 'General case' 0 C--O 1.233 0.235 0 CA-C-N 115.644 -0.707 . . . . 1.56 110.819 -178.765 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 36.6 t70 -67.28 -30.93 70.94 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.974 -0.557 . . . . 2.04 110.893 179.171 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 56.1 mm-40 -70.46 -36.33 73.85 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.424 -0.353 . . . . 2.45 110.984 177.816 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 52.9 tp -66.79 -41.32 87.8 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.459 -0.337 . . . . 1.07 110.284 173.886 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 21' ' ' GLN . . . . . 0.441 ' O ' ' HG3' ' A' ' 25' ' ' ARG . 26.5 mt-30 -59.6 -51.31 70.35 Favored 'General case' 0 C--O 1.235 0.301 0 CA-C-O 121.273 0.558 . . . . 1.96 109.998 175.53 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 77.4 ttt180 -52.23 -49.29 64.28 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 114.736 -1.12 . . . . 4.02 110.432 177.138 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 43.0 t60 -58.08 -50.59 72.94 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 115.509 -0.769 . . . . 0.2 111.017 178.619 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 4.5 tppp? -58.26 -24.2 58.61 Favored 'General case' 0 C--O 1.234 0.269 0 CA-C-N 116.375 -0.375 . . . . 2.71 111.515 -175.82 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 25' ' ' ARG . . . . . 0.441 ' HG3' ' O ' ' A' ' 21' ' ' GLN . 52.9 mtp180 -57.76 -24.81 58.92 Favored 'General case' 0 C--O 1.233 0.214 0 CA-C-O 120.738 0.304 . . . . 3.78 111.451 179.156 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 69.7 p -72.24 -34.74 68.52 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.82 0.343 . . . . 1.14 110.806 179.225 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 83.3 m-70 . . . . . 0 C--O 1.233 0.213 0 N-CA-C 109.73 -0.47 . . . . 0.43 109.73 177.982 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 11.7 t . . . . . 0 N--CA 1.45 -0.463 0 N-CA-C 109.49 -0.559 . . . . 0.38 109.49 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 35.7 p -96.27 22.72 7.39 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-N 116.193 -0.458 . . . . 2.12 111.505 -177.066 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 7' ' ' TRP . . . . . . . . . . . . . 66.4 t90 . . . . . 0 C--N 1.327 -0.39 0 CA-C-N 116.324 -0.398 . . . . 1.43 110.157 179.811 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.403 0 N-CA-C 110.698 -0.961 . . . . 0.94 110.698 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 43.7 t -84.12 67.32 9.67 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 115.163 -0.519 . . . . 0.94 110.232 -178.97 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -81.36 59.4 4.8 Favored Glycine 0 N--CA 1.45 -0.424 0 C-N-CA 121.125 -0.559 . . . . 0.73 112.684 -178.945 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 51.8 tttp -84.63 138.65 32.57 Favored 'General case' 0 C--N 1.322 -0.597 0 N-CA-C 110.109 -0.33 . . . . 2.26 110.109 177.02 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 84.9 mtm180 -109.16 144.57 37.06 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 116.053 -0.521 . . . . 3.65 111.247 -176.971 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 65.6 m-85 -130.81 -179.12 5.12 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 115.463 -0.789 . . . . 0.35 109.482 -178.144 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 19.4 p -125.34 -0.45 7.64 Favored 'General case' 0 C--N 1.319 -0.747 0 CA-C-O 121.058 0.456 . . . . 1.71 110.607 176.89 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 16' ' ' ARG . . . . . 0.408 ' HB3' ' OD2' ' A' ' 18' ' ' ASP . 99.1 mtt180 -137.08 134.84 36.92 Favored 'General case' 0 C--O 1.235 0.316 0 CA-C-N 116.051 -0.522 . . . . 3.66 110.184 179.38 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 9.8 t -70.15 -28.35 65.27 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.93 -0.577 . . . . 1.56 110.252 -176.269 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 18' ' ' ASP . . . . . 0.408 ' OD2' ' HB3' ' A' ' 16' ' ' ARG . 8.7 p-10 -72.09 -31.48 66.12 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.219 -0.446 . . . . 2.04 110.522 177.953 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 18.4 mm-40 -71.01 -37.63 72.66 Favored 'General case' 0 CA--C 1.515 -0.377 0 CA-C-N 116.319 -0.4 . . . . 2.45 110.308 174.945 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 57.0 tp -63.05 -43.7 97.91 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 115.822 -0.627 . . . . 1.07 110.28 174.387 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 94.1 mt-30 -60.84 -47.29 87.05 Favored 'General case' 0 C--O 1.237 0.445 0 CA-C-O 120.884 0.374 . . . . 1.96 110.771 176.739 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 54.7 ttp85 -58.39 -45.1 89.0 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.863 -0.608 . . . . 4.02 110.045 177.639 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 35.1 t60 -59.18 -46.75 87.6 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.655 -0.702 . . . . 0.2 110.712 177.753 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 31.8 mmtp -55.93 -25.59 44.03 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.432 -0.349 . . . . 2.71 111.824 -178.527 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 43.1 mtp180 -61.35 -18.98 61.27 Favored 'General case' 0 C--N 1.328 -0.339 0 N-CA-C 111.897 0.332 . . . . 3.78 111.897 179.787 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 75.9 p -76.74 -30.54 56.64 Favored 'General case' 0 C--O 1.234 0.27 0 CA-C-O 120.943 0.401 . . . . 1.14 110.824 177.258 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 84.6 m-70 . . . . . 0 C--N 1.33 -0.261 0 CA-C-O 121.305 0.574 . . . . 0.43 109.758 177.164 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 10.5 t . . . . . 0 N--CA 1.447 -0.61 0 N-CA-C 109.597 -0.52 . . . . 0.38 109.597 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 16.5 p -118.71 26.0 9.86 Favored 'General case' 0 C--N 1.321 -0.631 0 CA-C-O 120.964 0.411 . . . . 2.12 111.467 -176.503 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 7' ' ' TRP . . . . . . . . . . . . . 62.1 t90 . . . . . 0 C--N 1.323 -0.548 0 CA-C-N 116.249 -0.432 . . . . 1.43 109.851 178.711 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.447 -0.576 0 N-CA-C 111.206 -0.757 . . . . 0.94 111.206 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 42.6 t -74.06 98.65 3.14 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 115.437 -0.382 . . . . 0.94 109.997 -179.906 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -99.9 45.98 1.44 Allowed Glycine 0 N--CA 1.449 -0.436 0 C-N-CA 121.013 -0.613 . . . . 0.73 112.761 -176.625 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 26.9 tptp -72.24 127.73 33.47 Favored 'General case' 0 C--N 1.323 -0.545 0 N-CA-C 110.09 -0.337 . . . . 2.26 110.09 178.428 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 52.0 mtp180 -103.97 152.06 22.44 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 116.357 -0.383 . . . . 3.65 111.075 -177.899 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 14' ' ' PHE . . . . . 0.495 ' HZ ' ' CG ' ' A' ' 23' ' ' HIS . 51.4 m-85 -139.63 155.53 47.37 Favored 'General case' 0 C--O 1.237 0.416 0 CA-C-N 116.081 -0.509 . . . . 0.35 110.803 -176.82 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 16.6 p -102.2 -15.57 16.62 Favored 'General case' 0 C--N 1.321 -0.635 0 CA-C-N 115.734 -0.666 . . . . 1.71 110.194 175.818 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 74.7 mtp180 -124.5 142.51 51.27 Favored 'General case' 0 C--O 1.237 0.432 0 CA-C-N 115.798 -0.637 . . . . 3.66 111.407 -179.937 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 23.0 p -71.2 -29.53 65.27 Favored 'General case' 0 N--CA 1.454 -0.266 0 CA-C-N 115.614 -0.721 . . . . 1.56 110.419 -179.336 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 14.8 m-20 -59.96 -40.79 90.23 Favored 'General case' 0 CA--C 1.517 -0.291 0 CA-C-N 115.958 -0.565 . . . . 2.04 110.169 175.62 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 22.6 mm-40 -71.23 -38.03 72.0 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.7 -0.682 . . . . 2.45 111.205 179.812 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 39.9 tp -62.71 -46.49 87.88 Favored 'General case' 0 C--N 1.328 -0.337 0 C-N-CA 121.023 -0.271 . . . . 1.07 110.602 176.185 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 21' ' ' GLN . . . . . 0.471 ' O ' ' HG3' ' A' ' 25' ' ' ARG . 79.8 mt-30 -62.07 -50.56 71.5 Favored 'General case' 0 C--O 1.234 0.255 0 CA-C-O 121.04 0.448 . . . . 1.96 110.217 178.041 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 61.1 ttt180 -51.19 -57.7 8.08 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.258 -0.883 . . . . 4.02 110.568 177.784 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 23' ' ' HIS . . . . . 0.495 ' CG ' ' HZ ' ' A' ' 14' ' ' PHE . 17.6 t60 -57.41 -46.1 83.85 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 115.757 -0.656 . . . . 0.2 110.976 -179.438 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 5.1 tppp? -56.28 -31.13 63.33 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.473 -0.33 . . . . 2.71 110.86 -176.307 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 25' ' ' ARG . . . . . 0.471 ' HG3' ' O ' ' A' ' 21' ' ' GLN . 90.2 mtt180 -65.3 -15.52 62.61 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.014 -0.539 . . . . 3.78 112.097 -178.528 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 66.8 p -72.35 -31.93 66.04 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 121.038 0.447 . . . . 1.14 109.896 176.619 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 86.3 m-70 . . . . . 0 N--CA 1.454 -0.248 0 N-CA-C 109.413 -0.588 . . . . 0.43 109.413 175.917 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 24.5 t . . . . . 0 N--CA 1.449 -0.511 0 CA-C-O 121.056 0.455 . . . . 0.38 109.81 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 9.9 t -110.16 16.79 21.56 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 116.069 -0.514 . . . . 2.12 110.744 -177.204 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 7' ' ' TRP . . . . . . . . . . . . . 64.9 t90 . . . . . 0 C--N 1.324 -0.511 0 N-CA-C 109.796 -0.446 . . . . 1.43 109.796 179.426 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.448 -0.526 0 N-CA-C 111.106 -0.798 . . . . 0.94 111.106 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 51.5 t -90.08 67.17 6.94 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-O 121.375 0.607 . . . . 0.94 110.291 -179.479 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -84.56 60.87 4.77 Favored Glycine 0 N--CA 1.449 -0.483 0 CA-C-N 115.896 -0.593 . . . . 0.73 112.726 -176.987 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 62.5 tttp -87.28 136.88 32.76 Favored 'General case' 0 C--N 1.323 -0.558 0 N-CA-C 109.964 -0.384 . . . . 2.26 109.964 177.019 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 85.2 mtt180 -99.9 147.29 25.7 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 116.205 -0.452 . . . . 3.65 111.758 -174.641 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 80.1 m-85 -138.64 154.39 48.65 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 115.608 -0.724 . . . . 0.35 110.119 -179.962 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 13.8 m -109.72 -10.86 14.78 Favored 'General case' 0 C--N 1.318 -0.768 0 CA-C-O 121.457 0.646 . . . . 1.71 109.849 176.041 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 98.4 mtt180 -120.57 135.05 55.2 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.756 -0.656 . . . . 3.66 110.24 178.441 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 17' ' ' SER . . . . . 0.519 ' O ' ' HG3' ' A' ' 21' ' ' GLN . 29.8 p -67.85 -34.95 77.69 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.21 -0.45 . . . . 1.56 110.271 -179.966 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 18' ' ' ASP . . . . . 0.426 ' O ' ' HG3' ' A' ' 22' ' ' ARG . 27.5 t70 -60.68 -40.77 93.36 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.744 -0.662 . . . . 2.04 110.53 177.002 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 30.8 mm-40 -61.07 -45.03 96.39 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.747 -0.66 . . . . 2.45 110.535 176.5 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 54.3 tp -64.67 -36.74 85.24 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.802 -0.636 . . . . 1.07 110.937 178.65 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 21' ' ' GLN . . . . . 0.519 ' HG3' ' O ' ' A' ' 17' ' ' SER . 58.3 mt-30 -63.7 -49.69 72.11 Favored 'General case' 0 C--O 1.237 0.405 0 CA-C-O 120.922 0.392 . . . . 1.96 110.321 177.542 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 22' ' ' ARG . . . . . 0.426 ' HG3' ' O ' ' A' ' 18' ' ' ASP . 96.0 mtt180 -54.66 -50.0 69.25 Favored 'General case' 0 C--N 1.332 -0.156 0 CA-C-N 115.787 -0.642 . . . . 4.02 109.84 176.601 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 38.7 t60 -58.64 -47.29 84.89 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 115.387 -0.824 . . . . 0.2 111.031 -179.816 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 50.6 tptt -56.06 -25.92 47.16 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 116.167 -0.47 . . . . 2.71 111.518 -178.357 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 54.8 mtm180 -63.99 -16.31 61.31 Favored 'General case' 0 C--N 1.329 -0.32 0 N-CA-C 111.965 0.358 . . . . 3.78 111.965 179.332 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 80.7 p -77.31 -28.52 53.26 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 121.087 0.47 . . . . 1.14 110.495 176.857 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 86.3 m-70 . . . . . 0 C--N 1.327 -0.398 0 CA-C-N 115.948 -0.569 . . . . 0.43 110.196 177.769 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 5' ' ' CYS . . . . . 0.514 ' O ' ' HA2' ' A' ' 11' ' ' GLY . 14.9 t . . . . . 0 N--CA 1.447 -0.602 0 N-CA-C 109.4 -0.592 . . . . 0.38 109.4 . . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 11.7 t -131.98 33.07 3.97 Favored 'General case' 0 C--N 1.318 -0.769 0 CA-C-O 121.849 0.833 . . . . 2.12 109.764 179.988 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 7' ' ' TRP . . . . . . . . . . . . . 66.2 t90 . . . . . 0 C--N 1.329 -0.321 0 CA-C-N 115.351 -0.84 . . . . 1.43 110.232 179.954 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.448 -0.53 0 N-CA-C 111.657 -0.577 . . . . 0.94 111.657 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 42.5 t -88.73 143.81 26.67 Favored 'General case' 0 C--N 1.322 -0.621 0 N-CA-C 110.095 -0.335 . . . . 0.94 110.095 -179.531 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 11' ' ' GLY . . . . . 0.514 ' HA2' ' O ' ' A' ' 5' ' ' CYS . . . -149.41 44.52 0.73 Allowed Glycine 0 N--CA 1.448 -0.528 0 C-N-CA 120.867 -0.682 . . . . 0.73 112.314 -179.062 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 83.0 tttt -75.48 138.42 41.58 Favored 'General case' 0 C--N 1.327 -0.372 0 N-CA-C 110.0 -0.37 . . . . 2.26 110.0 179.677 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 56.9 mtt180 -110.14 147.06 34.4 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 116.119 -0.491 . . . . 3.65 111.341 -173.544 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 53.3 m-85 -137.45 175.86 9.22 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 115.529 -0.759 . . . . 0.35 109.644 -178.149 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 3.9 m -123.87 0.1 8.56 Favored 'General case' 0 C--N 1.32 -0.687 0 CA-C-O 121.62 0.724 . . . . 1.71 110.005 175.716 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 16' ' ' ARG . . . . . 0.425 ' HB3' ' OD2' ' A' ' 18' ' ' ASP . 21.1 mmm180 -131.25 136.19 48.0 Favored 'General case' 0 C--O 1.238 0.47 0 CA-C-N 115.58 -0.736 . . . . 3.66 110.372 178.947 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 17' ' ' SER . . . . . 0.408 ' O ' ' HG3' ' A' ' 21' ' ' GLN . 9.8 t -66.87 -29.97 70.01 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.545 -0.752 . . . . 1.56 110.299 -177.909 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 18' ' ' ASP . . . . . 0.425 ' OD2' ' HB3' ' A' ' 16' ' ' ARG . 4.8 p-10 -67.41 -34.19 76.73 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.374 -0.375 . . . . 2.04 110.972 178.196 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 50.8 mt-10 -68.05 -46.19 71.8 Favored 'General case' 0 CA--C 1.516 -0.362 0 N-CA-C 109.753 -0.462 . . . . 2.45 109.753 176.329 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 54.1 tp -61.32 -43.62 98.57 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.606 -0.724 . . . . 1.07 110.889 179.409 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 21' ' ' GLN . . . . . 0.408 ' HG3' ' O ' ' A' ' 17' ' ' SER . 48.2 mt-30 -62.5 -49.32 75.84 Favored 'General case' 0 C--O 1.235 0.34 0 CA-C-N 116.481 -0.327 . . . . 1.96 110.936 179.438 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 22' ' ' ARG . . . . . 0.494 ' HG3' ' NH2' ' A' ' 25' ' ' ARG . 77.1 ttt180 -57.98 -45.76 86.25 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 116.244 -0.434 . . . . 4.02 109.993 177.82 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 31.4 t60 -57.26 -46.85 82.66 Favored 'General case' 0 N--CA 1.451 -0.42 0 CA-C-N 115.601 -0.727 . . . . 0.2 110.691 178.115 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 31.1 mmtp -56.78 -28.47 61.37 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.757 -0.201 . . . . 2.71 111.534 -179.511 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 25' ' ' ARG . . . . . 0.494 ' NH2' ' HG3' ' A' ' 22' ' ' ARG . 16.7 mtm180 -65.89 -12.48 54.87 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.539 -0.3 . . . . 3.78 111.509 -178.939 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 71.4 p -77.8 -38.32 46.79 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 120.904 0.383 . . . . 1.14 110.05 174.911 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 88.7 m-70 . . . . . 0 CA--C 1.518 -0.263 0 N-CA-C 109.502 -0.555 . . . . 0.43 109.502 178.826 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 16.4 t . . . . . 0 N--CA 1.452 -0.343 0 CA-C-O 120.795 0.331 . . . . 0.38 110.386 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 37.4 p -126.19 20.49 7.49 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 115.89 -0.596 . . . . 2.12 111.128 -176.682 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 7' ' ' TRP . . . . . . . . . . . . . 56.9 t90 . . . . . 0 C--N 1.327 -0.388 0 CA-C-N 116.194 -0.457 . . . . 1.43 110.304 -178.525 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.449 -0.486 0 N-CA-C 111.194 -0.763 . . . . 0.94 111.194 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 45.1 t -76.3 140.29 41.45 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 115.289 -0.456 . . . . 0.94 109.993 -179.041 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -147.94 71.12 0.32 Allowed Glycine 0 N--CA 1.446 -0.675 0 C-N-CA 120.711 -0.757 . . . . 0.73 112.467 -175.863 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 24.1 ttmm -109.27 136.75 48.21 Favored 'General case' 0 C--N 1.323 -0.579 0 N-CA-C 109.734 -0.469 . . . . 2.26 109.734 176.914 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 19.6 mtp180 -103.59 148.6 25.8 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 121.045 0.45 . . . . 3.65 111.745 -176.031 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 68.2 m-85 -138.63 163.45 32.04 Favored 'General case' 0 C--O 1.236 0.377 0 CA-C-N 115.591 -0.731 . . . . 0.35 110.249 -178.579 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 17.6 p -109.73 4.1 21.54 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-O 121.163 0.506 . . . . 1.71 110.544 177.918 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 98.9 mtt180 -135.14 136.93 42.29 Favored 'General case' 0 C--O 1.238 0.462 0 CA-C-N 115.813 -0.63 . . . . 3.66 110.113 179.199 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 17' ' ' SER . . . . . 0.455 ' O ' ' HG3' ' A' ' 21' ' ' GLN . 23.3 t -64.38 -37.61 88.13 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 115.88 -0.6 . . . . 1.56 109.655 177.518 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 16.2 t70 -63.54 -37.6 87.95 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 115.884 -0.598 . . . . 2.04 111.007 177.415 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 69.3 mm-40 -64.74 -44.15 91.06 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.317 -0.401 . . . . 2.45 110.476 176.91 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 37.9 tp -62.06 -45.06 95.21 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.841 -0.618 . . . . 1.07 110.843 177.693 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 21' ' ' GLN . . . . . 0.455 ' HG3' ' O ' ' A' ' 17' ' ' SER . 56.2 mt-30 -62.17 -46.93 86.79 Favored 'General case' 0 C--O 1.237 0.43 0 CA-C-O 120.862 0.363 . . . . 1.96 110.658 179.778 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 47.9 ttt180 -56.86 -50.67 71.74 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.761 -0.654 . . . . 4.02 110.148 178.319 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 15.9 t60 -55.16 -49.72 71.13 Favored 'General case' 0 N--CA 1.453 -0.317 0 CA-C-N 115.904 -0.589 . . . . 0.2 110.503 177.149 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 58.1 tttm -64.04 -17.25 63.17 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.852 -0.613 . . . . 2.71 111.384 -174.865 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 25' ' ' ARG . . . . . 0.4 ' HG3' ' O ' ' A' ' 21' ' ' GLN . 82.6 mtt180 -61.21 -19.37 61.55 Favored 'General case' 0 CA--C 1.53 0.195 0 C-N-CA 120.994 -0.283 . . . . 3.78 111.225 175.747 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 74.8 p -72.77 -32.12 65.4 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 121.205 0.526 . . . . 1.14 110.412 176.372 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 75.8 m-70 . . . . . 0 C--N 1.328 -0.349 0 CA-C-O 121.485 0.659 . . . . 0.43 109.458 178.222 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 13.2 t . . . . . 0 N--CA 1.448 -0.533 0 N-CA-C 109.737 -0.468 . . . . 0.38 109.737 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 33.3 p -103.31 20.66 17.35 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-N 116.057 -0.519 . . . . 2.12 111.657 -176.374 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 7' ' ' TRP . . . . . . . . . . . . . 65.0 t90 . . . . . 0 C--N 1.326 -0.453 0 CA-C-N 116.242 -0.436 . . . . 1.43 109.879 178.94 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.449 -0.44 0 N-CA-C 111.235 -0.746 . . . . 0.94 111.235 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 52.6 t -86.43 76.29 9.65 Favored 'General case' 0 N--CA 1.449 -0.515 0 N-CA-C 109.786 -0.45 . . . . 0.94 109.786 179.694 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -94.09 48.98 2.2 Favored Glycine 0 N--CA 1.45 -0.43 0 C-N-CA 120.895 -0.669 . . . . 0.73 113.353 -173.661 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 39.1 ttmt -76.63 135.81 39.17 Favored 'General case' 0 C--N 1.326 -0.418 0 N-CA-C 110.133 -0.321 . . . . 2.26 110.133 176.983 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 79.5 mtm180 -106.77 149.71 27.06 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 116.19 -0.459 . . . . 3.65 111.065 -179.027 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 79.8 m-85 -132.89 166.31 22.61 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 115.628 -0.715 . . . . 0.35 110.603 -175.051 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 20.4 m -105.6 -26.76 11.72 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 115.869 -0.605 . . . . 1.71 110.346 -179.258 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 77.6 mtp180 -120.97 146.44 46.66 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 116.176 -0.465 . . . . 3.66 110.19 179.233 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 17' ' ' SER . . . . . 0.41 ' O ' ' HG3' ' A' ' 21' ' ' GLN . 53.0 p -65.9 -33.24 75.38 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.953 -0.567 . . . . 1.56 110.544 179.846 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 6.4 m-20 -58.64 -37.51 76.09 Favored 'General case' 0 N--CA 1.465 0.324 0 CA-C-N 116.312 -0.404 . . . . 2.04 111.209 177.235 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 52.8 mt-10 -61.3 -51.69 67.82 Favored 'General case' 0 C--N 1.33 -0.271 0 N-CA-C 109.576 -0.528 . . . . 2.45 109.576 176.742 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 54.8 tp -65.16 -37.1 86.31 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.163 -0.926 . . . . 1.07 111.455 -177.96 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 21' ' ' GLN . . . . . 0.41 ' HG3' ' O ' ' A' ' 17' ' ' SER . 96.4 mt-30 -62.12 -52.7 62.79 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.831 0.348 . . . . 1.96 110.663 178.677 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 48.1 ttt180 -60.04 -47.22 86.75 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.941 -0.572 . . . . 4.02 109.858 179.086 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 26.3 t60 -56.19 -49.23 74.65 Favored 'General case' 0 N--CA 1.452 -0.371 0 CA-C-N 115.808 -0.633 . . . . 0.2 110.96 178.849 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 4.2 tppp? -58.38 -26.77 63.57 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.387 -0.369 . . . . 2.71 111.308 -175.573 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 60.8 mtp180 -65.68 -17.63 64.75 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.107 -0.497 . . . . 3.78 111.933 179.946 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 79.8 p -73.3 -26.86 61.24 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 121.02 0.438 . . . . 1.14 110.203 177.364 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 86.6 m-70 . . . . . 0 N--CA 1.452 -0.328 0 CA-C-N 115.837 -0.62 . . . . 0.43 109.993 177.276 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 33.8 t . . . . . 0 N--CA 1.441 -0.877 0 N-CA-C 108.71 -0.848 . . . . 0.38 108.71 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 9.3 t -117.63 20.36 13.51 Favored 'General case' 0 C--N 1.317 -0.836 0 CA-C-O 121.476 0.655 . . . . 2.12 109.741 -178.287 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 7' ' ' TRP . . . . . . . . . . . . . 69.9 t90 . . . . . 0 N--CA 1.451 -0.395 0 CA-C-N 115.086 -0.961 . . . . 1.43 110.484 -179.555 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.417 0 N-CA-C 111.55 -0.62 . . . . 0.94 111.55 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 51.8 t -95.69 135.26 37.6 Favored 'General case' 0 C--N 1.321 -0.635 0 N-CA-C 109.937 -0.394 . . . . 0.94 109.937 179.696 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -134.2 47.86 0.97 Allowed Glycine 0 N--CA 1.449 -0.445 0 C-N-CA 121.067 -0.587 . . . . 0.73 111.66 179.257 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 18.6 tptp -79.56 127.47 32.19 Favored 'General case' 0 C--N 1.325 -0.489 0 N-CA-C 110.356 -0.239 . . . . 2.26 110.356 -176.922 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 13' ' ' ARG . . . . . 0.405 HH12 ' HD2' ' A' ' 13' ' ' ARG . 52.6 mtt180 -107.3 145.97 32.11 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-O 121.116 0.484 . . . . 3.65 111.662 -176.992 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 66.0 m-85 -136.79 162.91 31.9 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 115.545 -0.752 . . . . 0.35 110.216 -176.772 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 11.3 m -106.07 -17.85 14.2 Favored 'General case' 0 C--N 1.32 -0.692 0 CA-C-N 116.088 -0.506 . . . . 1.71 110.02 177.539 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 96.8 mtt180 -121.4 139.27 53.67 Favored 'General case' 0 C--O 1.234 0.281 0 CA-C-N 115.863 -0.608 . . . . 3.66 110.429 179.496 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 33.2 t -68.81 -33.4 73.79 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.725 -0.67 . . . . 1.56 111.65 -175.127 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 4.3 p-10 -69.47 -27.83 65.57 Favored 'General case' 0 N--CA 1.464 0.255 0 C-N-CA 120.837 -0.345 . . . . 2.04 110.498 -179.706 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 11.6 mm-40 -68.48 -44.69 74.24 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.145 -0.479 . . . . 2.45 109.809 174.207 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 44.1 tp -61.54 -43.2 99.3 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.797 -0.638 . . . . 1.07 110.641 175.915 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 21' ' ' GLN . . . . . 0.403 ' O ' ' HG3' ' A' ' 25' ' ' ARG . 47.4 mt-30 -60.58 -50.79 72.1 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.432 -0.349 . . . . 1.96 110.729 178.672 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 25.6 tpt180 -53.91 -51.77 62.67 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.331 -0.395 . . . . 4.02 110.507 176.328 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 23.1 t60 -57.63 -48.19 80.13 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.872 -0.603 . . . . 0.2 111.328 179.688 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 27.5 tptp -60.26 -28.27 67.92 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-O 121.149 0.5 . . . . 2.71 111.087 -175.832 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 25' ' ' ARG . . . . . 0.403 ' HG3' ' O ' ' A' ' 21' ' ' GLN . 65.1 mtt180 -73.06 -6.16 43.72 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 115.986 -0.552 . . . . 3.78 111.817 -178.665 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 51.6 p -86.04 -22.54 27.19 Favored 'General case' 0 C--N 1.329 -0.292 0 C-N-CA 120.755 -0.378 . . . . 1.14 110.377 174.28 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 97.1 m-70 . . . . . 0 C--O 1.233 0.191 0 N-CA-C 109.724 -0.472 . . . . 0.43 109.724 174.481 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 30.2 tpt180 . . . . . 0 N--CA 1.48 1.027 0 N-CA-C 110.097 -0.334 . . . . 4.96 110.097 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 35.5 Cg_exo -61.55 101.21 0.2 Allowed 'Trans proline' 0 C--N 1.342 0.219 0 C-N-CA 122.59 2.193 . . . . 1.16 112.018 176.714 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 87.7 m-85 -79.99 84.72 5.69 Favored 'General case' 0 C--N 1.325 -0.498 0 N-CA-C 109.475 -0.565 . . . . 0.66 109.475 177.588 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' NLE . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 8.3 t -72.19 127.09 31.48 Favored 'General case' 0 N--CA 1.449 -0.479 0 N-CA-C 109.347 -0.612 . . . . 0.38 109.347 171.636 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 25.8 p -109.25 13.39 24.37 Favored 'General case' 0 C--N 1.32 -0.684 0 CA-C-N 116.257 -0.429 . . . . 2.12 111.364 -175.044 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' TRP . . . . . . . . . . . . . 73.9 t90 -74.76 126.16 30.29 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 116.326 -0.397 . . . . 1.43 109.968 179.065 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' DPR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -108.97 16.43 33.08 Favored Glycine 0 N--CA 1.451 -0.356 0 N-CA-C 111.026 -0.83 . . . . 0.94 111.026 175.812 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 53.1 t -82.89 66.1 8.35 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-O 121.237 0.542 . . . . 0.94 110.007 -179.485 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -82.97 58.89 5.03 Favored Glycine 0 N--CA 1.451 -0.351 0 CA-C-N 115.968 -0.56 . . . . 0.73 113.123 -176.002 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 61.1 tttp -87.03 128.63 35.09 Favored 'General case' 0 C--N 1.323 -0.546 0 N-CA-C 110.053 -0.351 . . . . 2.26 110.053 177.643 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 49.7 mtt180 -103.21 138.83 39.48 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 116.258 -0.428 . . . . 3.65 111.189 -175.46 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 86.6 m-85 -123.8 160.77 26.63 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 115.985 -0.552 . . . . 0.35 110.777 -177.844 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 10.5 m -101.22 -27.19 13.35 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 115.82 -0.627 . . . . 1.71 110.559 -177.145 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . 0.41 ' HB2' ' HG3' ' A' ' 19' ' ' GLU . 60.7 mtt180 -119.45 143.14 47.67 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 116.002 -0.545 . . . . 3.66 110.379 177.358 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 5.9 p -66.17 -27.73 68.23 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.633 -0.712 . . . . 1.56 111.479 -176.597 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 30.9 t70 -65.81 -34.72 78.82 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.85 0.357 . . . . 2.04 110.485 176.399 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . 0.41 ' HG3' ' HB2' ' A' ' 16' ' ' ARG . 59.4 mt-10 -64.68 -43.99 91.8 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.978 -0.556 . . . . 2.45 109.878 178.433 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 48.0 tp -68.21 -41.45 81.31 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.717 -0.674 . . . . 1.07 110.901 178.505 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 47.4 mt-30 -58.9 -49.34 78.17 Favored 'General case' 0 C--O 1.235 0.295 0 CA-C-O 121.099 0.476 . . . . 1.96 110.346 176.626 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 27.5 ttm180 -56.03 -48.76 75.37 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 115.289 -0.869 . . . . 4.02 109.96 177.822 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 40.1 t60 -60.65 -46.89 88.6 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 115.194 -0.912 . . . . 0.2 111.261 -179.908 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 57.6 tptt -56.47 -25.49 51.09 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.254 -0.43 . . . . 2.71 111.286 -177.481 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 93.2 mtt180 -60.29 -23.04 63.84 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.302 -0.408 . . . . 3.78 111.468 178.58 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 26' ' ' THR . . . . . 0.422 ' HA ' ' N ' ' A' ' 32' ' ' NH2 . 82.1 p -70.98 -37.57 72.74 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-O 120.68 0.276 . . . . 1.14 110.784 179.272 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 89.1 m-70 -82.43 -28.6 31.23 Favored 'General case' 0 C--O 1.234 0.276 0 CA-C-N 116.279 -0.419 . . . . 0.43 110.428 -179.742 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 10.8 m -80.84 76.8 7.75 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-O 121.204 0.526 . . . . 2.36 110.803 -179.241 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 116.33 -174.48 15.27 Favored Glycine 0 N--CA 1.448 -0.516 0 N-CA-C 111.55 -0.62 . . . . 4.55 111.55 -179.689 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 41.1 tt0 -87.17 106.24 17.75 Favored 'General case' 0 C--N 1.324 -0.539 0 N-CA-C 109.127 -0.694 . . . . 8.01 109.127 175.619 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 64.1 tttp 61.93 66.65 0.81 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 121.768 0.794 . . . . 8.52 109.275 -172.17 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 32' ' ' NH2 . . . . . 0.422 ' N ' ' HA ' ' A' ' 26' ' ' THR . . . . . . . . 0 C--N 1.32 -0.716 0 CA-C-N 115.763 -0.653 . . . . 6.58 . . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 22.8 tpt180 . . . . . 0 N--CA 1.482 1.141 0 CA-C-O 120.93 0.395 . . . . 4.96 110.018 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 87.1 Cg_endo -90.0 157.69 4.88 Favored 'Trans proline' 0 N--CA 1.455 -0.768 0 C-N-CA 122.83 2.353 . . . . 1.16 112.736 -177.711 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 88.9 m-85 -133.11 161.09 35.34 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 115.85 -0.614 . . . . 0.66 109.645 178.91 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 4' ' ' NLE . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 16.1 t -81.76 142.36 32.69 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 115.97 -0.559 . . . . 0.38 109.828 174.671 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 35.2 p -133.78 21.37 3.88 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 116.151 -0.477 . . . . 2.12 111.166 -177.417 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 7' ' ' TRP . . . . . . . . . . . . . 24.2 t90 -78.06 129.2 34.94 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 116.295 -0.412 . . . . 1.43 110.134 -177.217 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 8' ' ' DPR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -112.42 13.72 25.5 Favored Glycine 0 N--CA 1.45 -0.426 0 N-CA-C 110.985 -0.846 . . . . 0.94 110.985 176.782 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 39.7 t -84.39 130.33 34.79 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 115.161 -0.519 . . . . 0.94 110.202 -179.078 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -138.31 57.9 0.63 Allowed Glycine 0 N--CA 1.45 -0.404 0 C-N-CA 120.796 -0.716 . . . . 0.73 112.42 -177.537 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 46.1 tttp -88.36 136.57 32.92 Favored 'General case' 0 C--N 1.323 -0.568 0 N-CA-C 110.13 -0.322 . . . . 2.26 110.13 178.785 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 54.1 mtp180 -101.9 151.26 22.31 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-O 121.107 0.48 . . . . 3.65 111.12 -178.432 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 70.4 m-85 -137.79 175.54 9.5 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 115.626 -0.715 . . . . 0.35 110.491 -176.273 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 3.0 p -119.54 -22.19 7.07 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 116.107 -0.497 . . . . 1.71 111.205 -178.987 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 21.3 mtp180 -126.89 146.67 50.21 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 116.14 -0.482 . . . . 3.66 110.221 174.803 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 17' ' ' SER . . . . . 0.495 ' O ' ' HG3' ' A' ' 21' ' ' GLN . 27.8 p -62.69 -25.74 68.31 Favored 'General case' 0 C--O 1.223 -0.334 0 CA-C-N 115.847 -0.615 . . . . 1.56 110.222 179.035 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 7.8 m-20 -59.64 -42.15 92.08 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.918 -0.583 . . . . 2.04 110.363 177.001 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 49.1 mt-10 -63.13 -45.29 92.65 Favored 'General case' 0 N--CA 1.451 -0.412 0 CA-C-N 115.454 -0.794 . . . . 2.45 109.79 177.895 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 58.7 tp -65.5 -37.35 86.55 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.477 -0.783 . . . . 1.07 111.038 -179.922 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 21' ' ' GLN . . . . . 0.495 ' HG3' ' O ' ' A' ' 17' ' ' SER . 59.8 mt-30 -65.48 -53.5 41.74 Favored 'General case' 0 C--O 1.234 0.28 0 CA-C-O 120.667 0.27 . . . . 1.96 111.024 179.56 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 27.1 ptt180 -62.2 -38.61 89.78 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.903 0.382 . . . . 4.02 110.245 -179.122 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 32.6 t60 -64.14 -49.98 69.99 Favored 'General case' 0 N--CA 1.45 -0.455 0 CA-C-N 115.841 -0.618 . . . . 0.2 110.636 178.155 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 38.1 ttpt -59.76 -22.07 61.6 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.346 -0.388 . . . . 2.71 111.373 -175.452 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . 0.437 ' HG3' ' O ' ' A' ' 21' ' ' GLN . 74.1 mtt180 -61.52 -19.58 62.26 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.463 -0.335 . . . . 3.78 111.492 178.221 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 75.8 p -72.4 -34.82 68.18 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-O 121.105 0.479 . . . . 1.14 110.482 177.066 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 80.2 m-70 -85.14 -47.9 9.69 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.926 -0.579 . . . . 0.43 109.974 178.948 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 15.5 m -103.46 85.18 2.42 Favored 'General case' 0 N--CA 1.448 -0.526 0 CA-C-N 115.653 -0.703 . . . . 2.36 110.453 -176.983 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -166.48 -164.02 21.26 Favored Glycine 0 N--CA 1.444 -0.787 0 N-CA-C 111.205 -0.758 . . . . 4.55 111.205 179.815 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 41.3 tt0 -85.41 79.6 9.4 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-O 121.165 0.507 . . . . 8.01 110.119 -179.417 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 23.3 ttmm -137.1 -81.77 0.37 Allowed 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 115.959 -0.564 . . . . 8.52 109.959 178.744 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 32' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.324 -0.522 0 CA-C-N 116.498 -0.319 . . . . 6.58 . . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 79.1 ttt180 . . . . . 0 N--CA 1.478 0.972 0 CA-C-O 120.492 0.187 . . . . 4.96 110.741 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 70.8 Cg_endo -77.68 145.05 22.73 Favored 'Trans proline' 0 C--O 1.235 0.364 0 C-N-CA 122.37 2.047 . . . . 1.16 111.49 175.045 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 3' ' ' PHE . . . . . 0.419 ' CZ ' ' HB3' ' A' ' 17' ' ' SER . 98.6 m-85 -98.31 150.27 21.73 Favored 'General case' 0 C--N 1.321 -0.642 0 CA-C-N 116.393 -0.367 . . . . 0.66 110.433 -175.683 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 4' ' ' NLE . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 51.6 t -72.14 136.34 46.48 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 115.947 -0.569 . . . . 0.38 109.998 176.3 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 20.7 p -113.88 10.93 17.78 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-N 116.06 -0.518 . . . . 2.12 111.354 -177.008 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 7' ' ' TRP . . . . . . . . . . . . . 75.4 t90 -82.33 122.58 28.15 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 116.201 -0.454 . . . . 1.43 110.28 -177.946 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 8' ' ' DPR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -103.12 18.24 49.74 Favored Glycine 0 N--CA 1.449 -0.486 0 N-CA-C 111.315 -0.714 . . . . 0.94 111.315 176.144 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 52.8 t -84.64 72.27 10.71 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-O 121.152 0.501 . . . . 0.94 110.232 -177.748 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -87.1 63.78 3.96 Favored Glycine 0 N--CA 1.45 -0.401 0 C-N-CA 121.152 -0.547 . . . . 0.73 112.697 -177.771 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 86.2 tttt -93.55 129.02 39.93 Favored 'General case' 0 C--N 1.325 -0.467 0 N-CA-C 109.833 -0.432 . . . . 2.26 109.833 178.265 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 81.5 mtm180 -99.11 148.41 24.08 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-O 120.945 0.402 . . . . 3.65 111.563 -175.498 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 94.4 m-85 -135.18 160.54 38.05 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.789 -0.641 . . . . 0.35 110.436 -178.229 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 5.8 m -111.08 -4.92 14.89 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-O 121.447 0.642 . . . . 1.71 110.173 178.906 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 73.5 mtp180 -125.99 135.48 51.87 Favored 'General case' 0 C--O 1.238 0.452 0 CA-C-N 115.722 -0.672 . . . . 3.66 110.414 178.121 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 17' ' ' SER . . . . . 0.419 ' HB3' ' CZ ' ' A' ' 3' ' ' PHE . 55.9 p -65.71 -38.99 90.73 Favored 'General case' 0 C--O 1.233 0.235 0 CA-C-N 115.644 -0.707 . . . . 1.56 110.819 -178.765 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 36.6 t70 -67.28 -30.93 70.94 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.974 -0.557 . . . . 2.04 110.893 179.171 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 56.1 mm-40 -70.46 -36.33 73.85 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.424 -0.353 . . . . 2.45 110.984 177.816 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 52.9 tp -66.79 -41.32 87.8 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.459 -0.337 . . . . 1.07 110.284 173.886 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 21' ' ' GLN . . . . . 0.441 ' O ' ' HG3' ' A' ' 25' ' ' ARG . 26.5 mt-30 -59.6 -51.31 70.35 Favored 'General case' 0 C--O 1.235 0.301 0 CA-C-O 121.273 0.558 . . . . 1.96 109.998 175.53 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 77.4 ttt180 -52.23 -49.29 64.28 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 114.736 -1.12 . . . . 4.02 110.432 177.138 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 43.0 t60 -58.08 -50.59 72.94 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 115.509 -0.769 . . . . 0.2 111.017 178.619 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 4.5 tppp? -58.26 -24.2 58.61 Favored 'General case' 0 C--O 1.234 0.269 0 CA-C-N 116.375 -0.375 . . . . 2.71 111.515 -175.82 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . 0.441 ' HG3' ' O ' ' A' ' 21' ' ' GLN . 52.9 mtp180 -57.76 -24.81 58.92 Favored 'General case' 0 C--O 1.233 0.214 0 CA-C-O 120.738 0.304 . . . . 3.78 111.451 179.156 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 69.7 p -72.24 -34.74 68.52 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.82 0.343 . . . . 1.14 110.806 179.225 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 83.3 m-70 -79.25 -34.01 43.05 Favored 'General case' 0 C--O 1.233 0.213 0 N-CA-C 109.73 -0.47 . . . . 0.43 109.73 177.982 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 33.4 m 74.87 -56.92 0.62 Allowed 'General case' 0 N--CA 1.464 0.25 0 CA-C-N 115.366 -0.834 . . . . 2.36 111.618 177.584 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -131.72 172.0 21.07 Favored Glycine 0 N--CA 1.445 -0.765 0 C-N-CA 120.919 -0.658 . . . . 4.55 111.89 -179.557 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 23.2 tp10 -75.83 -69.39 0.5 Allowed 'General case' 0 C--N 1.324 -0.522 0 N-CA-C 110.14 -0.319 . . . . 8.01 110.14 -179.878 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 97.7 mttt 54.42 75.73 0.27 Allowed 'General case' 0 N--CA 1.462 0.164 0 CA-C-O 121.359 0.6 . . . . 8.52 111.362 178.861 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 32' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.32 -0.705 0 CA-C-N 116.214 -0.448 . . . . 6.58 . . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 42.4 ttm180 . . . . . 0 N--CA 1.477 0.885 0 N-CA-C 110.37 -0.233 . . . . 4.96 110.37 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 93.5 Cg_endo -81.56 157.13 19.0 Favored 'Trans proline' 0 N--CA 1.459 -0.501 0 C-N-CA 122.526 2.151 . . . . 1.16 112.154 179.276 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 96.7 m-85 -131.68 155.55 47.43 Favored 'General case' 0 C--N 1.319 -0.737 0 CA-C-N 115.898 -0.592 . . . . 0.66 109.429 178.763 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 4' ' ' NLE . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 11.7 t -79.45 116.19 19.53 Favored 'General case' 0 C--N 1.324 -0.524 0 N-CA-C 109.49 -0.559 . . . . 0.38 109.49 172.22 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 35.7 p -96.27 22.72 7.39 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-N 116.193 -0.458 . . . . 2.12 111.505 -177.066 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 7' ' ' TRP . . . . . . . . . . . . . 66.4 t90 -88.52 128.41 35.55 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.324 -0.398 . . . . 1.43 110.157 179.811 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 8' ' ' DPR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -106.59 16.87 40.27 Favored Glycine 0 N--CA 1.45 -0.403 0 N-CA-C 110.698 -0.961 . . . . 0.94 110.698 175.117 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 43.7 t -84.12 67.32 9.67 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 115.163 -0.519 . . . . 0.94 110.232 -178.97 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -81.36 59.4 4.8 Favored Glycine 0 N--CA 1.45 -0.424 0 C-N-CA 121.125 -0.559 . . . . 0.73 112.684 -178.945 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 51.8 tttp -84.63 138.65 32.57 Favored 'General case' 0 C--N 1.322 -0.597 0 N-CA-C 110.109 -0.33 . . . . 2.26 110.109 177.02 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 84.9 mtm180 -109.16 144.57 37.06 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 116.053 -0.521 . . . . 3.65 111.247 -176.971 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 65.6 m-85 -130.81 -179.12 5.12 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 115.463 -0.789 . . . . 0.35 109.482 -178.144 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 19.4 p -125.34 -0.45 7.64 Favored 'General case' 0 C--N 1.319 -0.747 0 CA-C-O 121.058 0.456 . . . . 1.71 110.607 176.89 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . 0.408 ' HB3' ' OD2' ' A' ' 18' ' ' ASP . 99.1 mtt180 -137.08 134.84 36.92 Favored 'General case' 0 C--O 1.235 0.316 0 CA-C-N 116.051 -0.522 . . . . 3.66 110.184 179.38 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 9.8 t -70.15 -28.35 65.27 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.93 -0.577 . . . . 1.56 110.252 -176.269 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 18' ' ' ASP . . . . . 0.408 ' OD2' ' HB3' ' A' ' 16' ' ' ARG . 8.7 p-10 -72.09 -31.48 66.12 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.219 -0.446 . . . . 2.04 110.522 177.953 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 18.4 mm-40 -71.01 -37.63 72.66 Favored 'General case' 0 CA--C 1.515 -0.377 0 CA-C-N 116.319 -0.4 . . . . 2.45 110.308 174.945 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 57.0 tp -63.05 -43.7 97.91 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 115.822 -0.627 . . . . 1.07 110.28 174.387 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 94.1 mt-30 -60.84 -47.29 87.05 Favored 'General case' 0 C--O 1.237 0.445 0 CA-C-O 120.884 0.374 . . . . 1.96 110.771 176.739 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 54.7 ttp85 -58.39 -45.1 89.0 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.863 -0.608 . . . . 4.02 110.045 177.639 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 35.1 t60 -59.18 -46.75 87.6 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.655 -0.702 . . . . 0.2 110.712 177.753 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 31.8 mmtp -55.93 -25.59 44.03 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.432 -0.349 . . . . 2.71 111.824 -178.527 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 43.1 mtp180 -61.35 -18.98 61.27 Favored 'General case' 0 C--N 1.328 -0.339 0 N-CA-C 111.897 0.332 . . . . 3.78 111.897 179.787 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 75.9 p -76.74 -30.54 56.64 Favored 'General case' 0 C--O 1.234 0.27 0 CA-C-O 120.943 0.401 . . . . 1.14 110.824 177.258 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 84.6 m-70 -85.87 -42.85 13.76 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 121.305 0.574 . . . . 0.43 109.758 177.164 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 23.5 p -104.03 69.19 0.93 Allowed 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 115.387 -0.824 . . . . 2.36 110.62 -178.019 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -80.2 -25.35 57.57 Favored Glycine 0 N--CA 1.443 -0.837 0 C-N-CA 120.765 -0.731 . . . . 4.55 111.954 -179.715 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 10.2 tp10 -67.15 -55.47 14.05 Favored 'General case' 0 C--N 1.321 -0.631 0 CA-C-O 120.812 0.339 . . . . 8.01 110.601 -178.857 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 74.9 mmtt -110.4 85.51 2.12 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-O 121.203 0.525 . . . . 8.52 110.301 -179.194 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 32' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.319 -0.749 0 CA-C-N 115.96 -0.564 . . . . 6.58 . . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 89.6 mtt180 . . . . . 0 N--CA 1.478 0.935 0 CA-C-O 120.669 0.271 . . . . 4.96 110.488 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 23.5 Cg_exo -64.95 103.28 0.48 Allowed 'Trans proline' 0 N--CA 1.464 -0.25 0 C-N-CA 122.761 2.307 . . . . 1.16 111.318 176.381 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 3' ' ' PHE . . . . . 0.417 ' HB2' ' HB2' ' A' ' 14' ' ' PHE . 78.9 m-85 -85.52 147.67 26.33 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 116.401 -0.363 . . . . 0.66 110.248 -178.919 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 4' ' ' NLE . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 10.5 t -73.12 135.29 44.71 Favored 'General case' 0 N--CA 1.447 -0.61 0 CA-C-N 115.721 -0.672 . . . . 0.38 109.597 173.303 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 16.5 p -118.71 26.0 9.86 Favored 'General case' 0 C--N 1.321 -0.631 0 CA-C-O 120.964 0.411 . . . . 2.12 111.467 -176.503 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 7' ' ' TRP . . . . . . . . . . . . . 62.1 t90 -87.84 126.29 34.94 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 116.249 -0.432 . . . . 1.43 109.851 178.711 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 8' ' ' DPR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -107.52 13.23 39.37 Favored Glycine 0 N--CA 1.447 -0.576 0 N-CA-C 111.206 -0.757 . . . . 0.94 111.206 174.759 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 42.6 t -74.06 98.65 3.14 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 115.437 -0.382 . . . . 0.94 109.997 -179.906 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -99.9 45.98 1.44 Allowed Glycine 0 N--CA 1.449 -0.436 0 C-N-CA 121.013 -0.613 . . . . 0.73 112.761 -176.625 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 26.9 tptp -72.24 127.73 33.47 Favored 'General case' 0 C--N 1.323 -0.545 0 N-CA-C 110.09 -0.337 . . . . 2.26 110.09 178.428 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 52.0 mtp180 -103.97 152.06 22.44 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 116.357 -0.383 . . . . 3.65 111.075 -177.899 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 14' ' ' PHE . . . . . 0.495 ' HZ ' ' CG ' ' A' ' 23' ' ' HIS . 51.4 m-85 -139.63 155.53 47.37 Favored 'General case' 0 C--O 1.237 0.416 0 CA-C-N 116.081 -0.509 . . . . 0.35 110.803 -176.82 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 16.6 p -102.2 -15.57 16.62 Favored 'General case' 0 C--N 1.321 -0.635 0 CA-C-N 115.734 -0.666 . . . . 1.71 110.194 175.818 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 74.7 mtp180 -124.5 142.51 51.27 Favored 'General case' 0 C--O 1.237 0.432 0 CA-C-N 115.798 -0.637 . . . . 3.66 111.407 -179.937 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 23.0 p -71.2 -29.53 65.27 Favored 'General case' 0 N--CA 1.454 -0.266 0 CA-C-N 115.614 -0.721 . . . . 1.56 110.419 -179.336 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 14.8 m-20 -59.96 -40.79 90.23 Favored 'General case' 0 CA--C 1.517 -0.291 0 CA-C-N 115.958 -0.565 . . . . 2.04 110.169 175.62 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 22.6 mm-40 -71.23 -38.03 72.0 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.7 -0.682 . . . . 2.45 111.205 179.812 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 39.9 tp -62.71 -46.49 87.88 Favored 'General case' 0 C--N 1.328 -0.337 0 C-N-CA 121.023 -0.271 . . . . 1.07 110.602 176.185 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 21' ' ' GLN . . . . . 0.471 ' O ' ' HG3' ' A' ' 25' ' ' ARG . 79.8 mt-30 -62.07 -50.56 71.5 Favored 'General case' 0 C--O 1.234 0.255 0 CA-C-O 121.04 0.448 . . . . 1.96 110.217 178.041 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 61.1 ttt180 -51.19 -57.7 8.08 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.258 -0.883 . . . . 4.02 110.568 177.784 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 23' ' ' HIS . . . . . 0.495 ' CG ' ' HZ ' ' A' ' 14' ' ' PHE . 17.6 t60 -57.41 -46.1 83.85 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 115.757 -0.656 . . . . 0.2 110.976 -179.438 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 5.1 tppp? -56.28 -31.13 63.33 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.473 -0.33 . . . . 2.71 110.86 -176.307 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . 0.471 ' HG3' ' O ' ' A' ' 21' ' ' GLN . 90.2 mtt180 -65.3 -15.52 62.61 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.014 -0.539 . . . . 3.78 112.097 -178.528 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 66.8 p -72.35 -31.93 66.04 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 121.038 0.447 . . . . 1.14 109.896 176.619 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 86.3 m-70 -86.75 -53.49 4.9 Favored 'General case' 0 N--CA 1.454 -0.248 0 N-CA-C 109.413 -0.588 . . . . 0.43 109.413 175.917 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 32.3 m -132.4 92.63 3.11 Favored 'General case' 0 N--CA 1.447 -0.606 0 CA-C-N 115.359 -0.837 . . . . 2.36 110.665 -175.393 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -131.84 -48.23 0.11 Allowed Glycine 0 N--CA 1.449 -0.493 0 C-N-CA 120.707 -0.758 . . . . 4.55 111.704 177.689 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 8.8 tp10 -91.03 -41.1 11.27 Favored 'General case' 0 C--N 1.321 -0.632 0 CA-C-O 121.028 0.442 . . . . 8.01 109.946 177.78 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 87.8 tttt -130.01 99.26 5.02 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 115.964 -0.562 . . . . 8.52 110.183 179.651 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 32' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.322 -0.623 0 CA-C-N 116.461 -0.336 . . . . 6.58 . . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 96.7 mtt180 . . . . . 0 N--CA 1.48 1.063 0 N-CA-C 109.811 -0.44 . . . . 4.96 109.811 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 72.6 Cg_endo -78.18 119.06 4.51 Favored 'Trans proline' 0 N--CA 1.463 -0.299 0 C-N-CA 122.583 2.189 . . . . 1.16 112.559 -178.952 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 3' ' ' PHE . . . . . 0.483 ' CZ ' ' HB3' ' A' ' 17' ' ' SER . 93.4 m-85 -115.29 147.4 40.46 Favored 'General case' 0 C--N 1.323 -0.545 0 N-CA-C 109.984 -0.376 . . . . 0.66 109.984 176.474 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 4' ' ' NLE . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 24.5 t -76.79 129.54 36.41 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-O 121.056 0.455 . . . . 0.38 109.81 175.323 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 9.9 t -110.16 16.79 21.56 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 116.069 -0.514 . . . . 2.12 110.744 -177.204 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 7' ' ' TRP . . . . . . . . . . . . . 64.9 t90 -82.14 123.98 29.47 Favored 'General case' 0 C--N 1.324 -0.511 0 N-CA-C 109.796 -0.446 . . . . 1.43 109.796 179.426 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 8' ' ' DPR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -98.57 23.41 36.39 Favored Glycine 0 N--CA 1.448 -0.526 0 N-CA-C 111.106 -0.798 . . . . 0.94 111.106 175.302 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 51.5 t -90.08 67.17 6.94 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-O 121.375 0.607 . . . . 0.94 110.291 -179.479 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -84.56 60.87 4.77 Favored Glycine 0 N--CA 1.449 -0.483 0 CA-C-N 115.896 -0.593 . . . . 0.73 112.726 -176.987 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 62.5 tttp -87.28 136.88 32.76 Favored 'General case' 0 C--N 1.323 -0.558 0 N-CA-C 109.964 -0.384 . . . . 2.26 109.964 177.019 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 85.2 mtt180 -99.9 147.29 25.7 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 116.205 -0.452 . . . . 3.65 111.758 -174.641 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 80.1 m-85 -138.64 154.39 48.65 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 115.608 -0.724 . . . . 0.35 110.119 -179.962 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 13.8 m -109.72 -10.86 14.78 Favored 'General case' 0 C--N 1.318 -0.768 0 CA-C-O 121.457 0.646 . . . . 1.71 109.849 176.041 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 98.4 mtt180 -120.57 135.05 55.2 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.756 -0.656 . . . . 3.66 110.24 178.441 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 17' ' ' SER . . . . . 0.519 ' O ' ' HG3' ' A' ' 21' ' ' GLN . 29.8 p -67.85 -34.95 77.69 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.21 -0.45 . . . . 1.56 110.271 -179.966 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 18' ' ' ASP . . . . . 0.426 ' O ' ' HG3' ' A' ' 22' ' ' ARG . 27.5 t70 -60.68 -40.77 93.36 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.744 -0.662 . . . . 2.04 110.53 177.002 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 30.8 mm-40 -61.07 -45.03 96.39 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.747 -0.66 . . . . 2.45 110.535 176.5 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 54.3 tp -64.67 -36.74 85.24 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.802 -0.636 . . . . 1.07 110.937 178.65 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 21' ' ' GLN . . . . . 0.519 ' HG3' ' O ' ' A' ' 17' ' ' SER . 58.3 mt-30 -63.7 -49.69 72.11 Favored 'General case' 0 C--O 1.237 0.405 0 CA-C-O 120.922 0.392 . . . . 1.96 110.321 177.542 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 22' ' ' ARG . . . . . 0.426 ' HG3' ' O ' ' A' ' 18' ' ' ASP . 96.0 mtt180 -54.66 -50.0 69.25 Favored 'General case' 0 C--N 1.332 -0.156 0 CA-C-N 115.787 -0.642 . . . . 4.02 109.84 176.601 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 38.7 t60 -58.64 -47.29 84.89 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 115.387 -0.824 . . . . 0.2 111.031 -179.816 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 50.6 tptt -56.06 -25.92 47.16 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 116.167 -0.47 . . . . 2.71 111.518 -178.357 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . 0.485 ' HA ' ' O ' ' A' ' 28' ' ' THR . 54.8 mtm180 -63.99 -16.31 61.31 Favored 'General case' 0 C--N 1.329 -0.32 0 N-CA-C 111.965 0.358 . . . . 3.78 111.965 179.332 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 80.7 p -77.31 -28.52 53.26 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 121.087 0.47 . . . . 1.14 110.495 176.857 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 86.3 m-70 -90.46 -42.98 10.56 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.948 -0.569 . . . . 0.43 110.196 177.769 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 28' ' ' THR . . . . . 0.485 ' O ' ' HA ' ' A' ' 25' ' ' ARG . 11.4 m -126.2 114.94 19.0 Favored 'General case' 0 N--CA 1.448 -0.55 0 CA-C-N 115.819 -0.628 . . . . 2.36 109.995 -179.798 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 111.29 14.43 11.79 Favored Glycine 0 N--CA 1.445 -0.703 0 C-N-CA 120.614 -0.803 . . . . 4.55 111.707 -177.575 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 6.0 tp10 -82.97 -41.91 18.23 Favored 'General case' 0 C--N 1.325 -0.47 0 N-CA-C 109.372 -0.603 . . . . 8.01 109.372 177.438 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 59.7 tttm -88.69 89.59 8.05 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 115.515 -0.766 . . . . 8.52 109.918 178.78 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 32' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.32 -0.708 0 CA-C-N 116.401 -0.363 . . . . 6.58 . . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 18.0 ptp180 . . . . . 0 N--CA 1.48 1.038 0 N-CA-C 110.404 -0.221 . . . . 4.96 110.404 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 84.6 Cg_endo -83.39 149.68 13.19 Favored 'Trans proline' 0 N--CA 1.455 -0.736 0 C-N-CA 122.444 2.096 . . . . 1.16 112.243 178.499 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 95.3 m-85 -124.6 152.51 43.48 Favored 'General case' 0 C--N 1.321 -0.66 0 CA-C-N 115.869 -0.605 . . . . 0.66 109.78 179.388 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 4' ' ' NLE . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 5' ' ' CYS . . . . . 0.514 ' O ' ' HA2' ' A' ' 11' ' ' GLY . 14.9 t -83.83 136.32 34.17 Favored 'General case' 0 N--CA 1.447 -0.602 0 CA-C-N 115.878 -0.601 . . . . 0.38 109.4 172.405 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 11.7 t -131.98 33.07 3.97 Favored 'General case' 0 C--N 1.318 -0.769 0 CA-C-O 121.849 0.833 . . . . 2.12 109.764 179.988 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 7' ' ' TRP . . . . . . . . . . . . . 66.2 t90 -82.6 129.11 34.88 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.351 -0.84 . . . . 1.43 110.232 179.954 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 8' ' ' DPR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -106.13 12.77 44.72 Favored Glycine 0 N--CA 1.448 -0.53 0 C-N-CA 120.89 -0.671 . . . . 0.94 111.657 177.954 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 42.5 t -88.73 143.81 26.67 Favored 'General case' 0 C--N 1.322 -0.621 0 N-CA-C 110.095 -0.335 . . . . 0.94 110.095 -179.531 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . 0.514 ' HA2' ' O ' ' A' ' 5' ' ' CYS . . . -149.41 44.52 0.73 Allowed Glycine 0 N--CA 1.448 -0.528 0 C-N-CA 120.867 -0.682 . . . . 0.73 112.314 -179.062 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 83.0 tttt -75.48 138.42 41.58 Favored 'General case' 0 C--N 1.327 -0.372 0 N-CA-C 110.0 -0.37 . . . . 2.26 110.0 179.677 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 56.9 mtt180 -110.14 147.06 34.4 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 116.119 -0.491 . . . . 3.65 111.341 -173.544 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 53.3 m-85 -137.45 175.86 9.22 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 115.529 -0.759 . . . . 0.35 109.644 -178.149 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 3.9 m -123.87 0.1 8.56 Favored 'General case' 0 C--N 1.32 -0.687 0 CA-C-O 121.62 0.724 . . . . 1.71 110.005 175.716 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . 0.425 ' HB3' ' OD2' ' A' ' 18' ' ' ASP . 21.1 mmm180 -131.25 136.19 48.0 Favored 'General case' 0 C--O 1.238 0.47 0 CA-C-N 115.58 -0.736 . . . . 3.66 110.372 178.947 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 17' ' ' SER . . . . . 0.408 ' O ' ' HG3' ' A' ' 21' ' ' GLN . 9.8 t -66.87 -29.97 70.01 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.545 -0.752 . . . . 1.56 110.299 -177.909 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 18' ' ' ASP . . . . . 0.425 ' OD2' ' HB3' ' A' ' 16' ' ' ARG . 4.8 p-10 -67.41 -34.19 76.73 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.374 -0.375 . . . . 2.04 110.972 178.196 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 50.8 mt-10 -68.05 -46.19 71.8 Favored 'General case' 0 CA--C 1.516 -0.362 0 N-CA-C 109.753 -0.462 . . . . 2.45 109.753 176.329 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 54.1 tp -61.32 -43.62 98.57 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.606 -0.724 . . . . 1.07 110.889 179.409 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 21' ' ' GLN . . . . . 0.408 ' HG3' ' O ' ' A' ' 17' ' ' SER . 48.2 mt-30 -62.5 -49.32 75.84 Favored 'General case' 0 C--O 1.235 0.34 0 CA-C-N 116.481 -0.327 . . . . 1.96 110.936 179.438 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 22' ' ' ARG . . . . . 0.494 ' HG3' ' NH2' ' A' ' 25' ' ' ARG . 77.1 ttt180 -57.98 -45.76 86.25 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 116.244 -0.434 . . . . 4.02 109.993 177.82 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 31.4 t60 -57.26 -46.85 82.66 Favored 'General case' 0 N--CA 1.451 -0.42 0 CA-C-N 115.601 -0.727 . . . . 0.2 110.691 178.115 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 31.1 mmtp -56.78 -28.47 61.37 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.757 -0.201 . . . . 2.71 111.534 -179.511 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . 0.494 ' NH2' ' HG3' ' A' ' 22' ' ' ARG . 16.7 mtm180 -65.89 -12.48 54.87 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.539 -0.3 . . . . 3.78 111.509 -178.939 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 71.4 p -77.8 -38.32 46.79 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 120.904 0.383 . . . . 1.14 110.05 174.911 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 88.7 m-70 -74.14 -45.22 50.2 Favored 'General case' 0 CA--C 1.518 -0.263 0 N-CA-C 109.502 -0.555 . . . . 0.43 109.502 178.826 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 2.6 m -87.85 20.39 3.08 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 115.768 -0.651 . . . . 2.36 110.254 179.947 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -70.81 -25.95 74.86 Favored Glycine 0 N--CA 1.453 -0.195 0 CA-C-N 115.853 -0.612 . . . . 4.55 112.171 -179.222 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 12.0 pt-20 -83.11 -2.7 56.07 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-O 120.826 0.346 . . . . 8.01 110.655 178.686 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 86.3 tttt -128.81 79.99 1.94 Allowed 'General case' 0 C--N 1.325 -0.461 0 CA-C-O 121.367 0.603 . . . . 8.52 109.929 -179.671 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 32' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.319 -0.755 0 CA-C-N 116.19 -0.459 . . . . 6.58 . . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 16.5 ptt180 . . . . . 0 N--CA 1.482 1.143 0 N-CA-C 110.447 -0.205 . . . . 4.96 110.447 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 57.3 Cg_endo -71.71 148.27 52.46 Favored 'Trans proline' 0 C--N 1.342 0.211 0 C-N-CA 122.444 2.096 . . . . 1.16 111.365 175.158 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 96.5 m-85 -109.22 149.17 29.79 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-O 120.689 0.28 . . . . 0.66 110.668 -176.987 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 4' ' ' NLE . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 16.4 t -80.47 136.88 36.4 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 115.995 -0.548 . . . . 0.38 110.386 176.154 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 37.4 p -126.19 20.49 7.49 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 115.89 -0.596 . . . . 2.12 111.128 -176.682 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 7' ' ' TRP . . . . . . . . . . . . . 56.9 t90 -77.43 128.89 35.0 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.194 -0.457 . . . . 1.43 110.304 -178.525 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 8' ' ' DPR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -114.36 11.73 21.69 Favored Glycine 0 N--CA 1.449 -0.486 0 N-CA-C 111.194 -0.763 . . . . 0.94 111.194 176.306 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 45.1 t -76.3 140.29 41.45 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 115.289 -0.456 . . . . 0.94 109.993 -179.041 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -147.94 71.12 0.32 Allowed Glycine 0 N--CA 1.446 -0.675 0 C-N-CA 120.711 -0.757 . . . . 0.73 112.467 -175.863 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 24.1 ttmm -109.27 136.75 48.21 Favored 'General case' 0 C--N 1.323 -0.579 0 N-CA-C 109.734 -0.469 . . . . 2.26 109.734 176.914 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 19.6 mtp180 -103.59 148.6 25.8 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 121.045 0.45 . . . . 3.65 111.745 -176.031 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 68.2 m-85 -138.63 163.45 32.04 Favored 'General case' 0 C--O 1.236 0.377 0 CA-C-N 115.591 -0.731 . . . . 0.35 110.249 -178.579 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 17.6 p -109.73 4.1 21.54 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-O 121.163 0.506 . . . . 1.71 110.544 177.918 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 98.9 mtt180 -135.14 136.93 42.29 Favored 'General case' 0 C--O 1.238 0.462 0 CA-C-N 115.813 -0.63 . . . . 3.66 110.113 179.199 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 17' ' ' SER . . . . . 0.455 ' O ' ' HG3' ' A' ' 21' ' ' GLN . 23.3 t -64.38 -37.61 88.13 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 115.88 -0.6 . . . . 1.56 109.655 177.518 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 16.2 t70 -63.54 -37.6 87.95 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 115.884 -0.598 . . . . 2.04 111.007 177.415 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 69.3 mm-40 -64.74 -44.15 91.06 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.317 -0.401 . . . . 2.45 110.476 176.91 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 37.9 tp -62.06 -45.06 95.21 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.841 -0.618 . . . . 1.07 110.843 177.693 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 21' ' ' GLN . . . . . 0.455 ' HG3' ' O ' ' A' ' 17' ' ' SER . 56.2 mt-30 -62.17 -46.93 86.79 Favored 'General case' 0 C--O 1.237 0.43 0 CA-C-O 120.862 0.363 . . . . 1.96 110.658 179.778 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 47.9 ttt180 -56.86 -50.67 71.74 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.761 -0.654 . . . . 4.02 110.148 178.319 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 15.9 t60 -55.16 -49.72 71.13 Favored 'General case' 0 N--CA 1.453 -0.317 0 CA-C-N 115.904 -0.589 . . . . 0.2 110.503 177.149 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 58.1 tttm -64.04 -17.25 63.17 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.852 -0.613 . . . . 2.71 111.384 -174.865 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . 0.4 ' HG3' ' O ' ' A' ' 21' ' ' GLN . 82.6 mtt180 -61.21 -19.37 61.55 Favored 'General case' 0 CA--C 1.53 0.195 0 C-N-CA 120.994 -0.283 . . . . 3.78 111.225 175.747 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 74.8 p -72.77 -32.12 65.4 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 121.205 0.526 . . . . 1.14 110.412 176.372 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 75.8 m-70 -84.16 -57.18 3.29 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 121.485 0.659 . . . . 0.43 109.458 178.222 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 20.6 p -122.21 88.3 2.91 Favored 'General case' 0 N--CA 1.446 -0.64 0 CA-C-N 115.115 -0.948 . . . . 2.36 110.279 -179.488 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -84.65 -24.33 46.64 Favored Glycine 0 N--CA 1.449 -0.434 0 C-N-CA 120.616 -0.802 . . . . 4.55 111.526 179.498 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 31.6 mt-10 -81.55 -54.06 5.74 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-O 120.972 0.415 . . . . 8.01 110.431 179.324 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 17.8 ptpt -131.44 80.16 1.92 Allowed 'General case' 0 C--N 1.326 -0.431 0 CA-C-O 121.64 0.733 . . . . 8.52 110.478 179.087 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 32' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.32 -0.713 0 CA-C-N 115.936 -0.574 . . . . 6.58 . . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 99.5 mtt180 . . . . . 0 N--CA 1.481 1.098 0 CA-C-O 120.416 0.151 . . . . 4.96 110.864 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 92.4 Cg_endo -80.56 153.09 20.37 Favored 'Trans proline' 0 N--CA 1.457 -0.666 0 C-N-CA 122.147 1.898 . . . . 1.16 111.428 175.142 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 96.9 m-85 -106.26 147.9 28.58 Favored 'General case' 0 C--N 1.323 -0.575 0 N-CA-C 109.719 -0.474 . . . . 0.66 109.719 178.484 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 4' ' ' NLE . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 13.2 t -77.29 122.47 25.14 Favored 'General case' 0 N--CA 1.448 -0.533 0 CA-C-N 116.059 -0.519 . . . . 0.38 109.737 173.089 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 33.3 p -103.31 20.66 17.35 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-N 116.057 -0.519 . . . . 2.12 111.657 -176.374 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 7' ' ' TRP . . . . . . . . . . . . . 65.0 t90 -88.28 125.67 34.78 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 116.242 -0.436 . . . . 1.43 109.879 178.94 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 8' ' ' DPR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -97.34 17.82 58.44 Favored Glycine 0 N--CA 1.449 -0.44 0 N-CA-C 111.235 -0.746 . . . . 0.94 111.235 175.951 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 52.6 t -86.43 76.29 9.65 Favored 'General case' 0 N--CA 1.449 -0.515 0 N-CA-C 109.786 -0.45 . . . . 0.94 109.786 179.694 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -94.09 48.98 2.2 Favored Glycine 0 N--CA 1.45 -0.43 0 C-N-CA 120.895 -0.669 . . . . 0.73 113.353 -173.661 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 39.1 ttmt -76.63 135.81 39.17 Favored 'General case' 0 C--N 1.326 -0.418 0 N-CA-C 110.133 -0.321 . . . . 2.26 110.133 176.983 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 79.5 mtm180 -106.77 149.71 27.06 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 116.19 -0.459 . . . . 3.65 111.065 -179.027 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 79.8 m-85 -132.89 166.31 22.61 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 115.628 -0.715 . . . . 0.35 110.603 -175.051 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 20.4 m -105.6 -26.76 11.72 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 115.869 -0.605 . . . . 1.71 110.346 -179.258 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 77.6 mtp180 -120.97 146.44 46.66 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 116.176 -0.465 . . . . 3.66 110.19 179.233 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 17' ' ' SER . . . . . 0.41 ' O ' ' HG3' ' A' ' 21' ' ' GLN . 53.0 p -65.9 -33.24 75.38 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.953 -0.567 . . . . 1.56 110.544 179.846 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 6.4 m-20 -58.64 -37.51 76.09 Favored 'General case' 0 N--CA 1.465 0.324 0 CA-C-N 116.312 -0.404 . . . . 2.04 111.209 177.235 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 52.8 mt-10 -61.3 -51.69 67.82 Favored 'General case' 0 C--N 1.33 -0.271 0 N-CA-C 109.576 -0.528 . . . . 2.45 109.576 176.742 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 54.8 tp -65.16 -37.1 86.31 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.163 -0.926 . . . . 1.07 111.455 -177.96 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 21' ' ' GLN . . . . . 0.41 ' HG3' ' O ' ' A' ' 17' ' ' SER . 96.4 mt-30 -62.12 -52.7 62.79 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.831 0.348 . . . . 1.96 110.663 178.677 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 48.1 ttt180 -60.04 -47.22 86.75 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.941 -0.572 . . . . 4.02 109.858 179.086 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 26.3 t60 -56.19 -49.23 74.65 Favored 'General case' 0 N--CA 1.452 -0.371 0 CA-C-N 115.808 -0.633 . . . . 0.2 110.96 178.849 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 4.2 tppp? -58.38 -26.77 63.57 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.387 -0.369 . . . . 2.71 111.308 -175.573 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 60.8 mtp180 -65.68 -17.63 64.75 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.107 -0.497 . . . . 3.78 111.933 179.946 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 79.8 p -73.3 -26.86 61.24 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 121.02 0.438 . . . . 1.14 110.203 177.364 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 86.6 m-70 -90.12 -63.73 1.24 Allowed 'General case' 0 N--CA 1.452 -0.328 0 CA-C-N 115.837 -0.62 . . . . 0.43 109.993 177.276 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 10.9 m 51.34 49.57 20.74 Favored 'General case' 0 CA--C 1.537 0.451 0 CA-C-O 121.811 0.815 . . . . 2.36 110.265 -174.599 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -90.93 -19.37 43.52 Favored Glycine 0 N--CA 1.449 -0.463 0 CA-C-N 115.529 -0.759 . . . . 4.55 112.059 -178.704 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 8.6 tp10 -75.99 -26.66 56.95 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-O 121.037 0.446 . . . . 8.01 110.031 179.644 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 39.0 ttpt -144.67 70.98 1.29 Allowed 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 121.531 0.681 . . . . 8.52 109.89 179.43 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 32' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.318 -0.767 0 CA-C-N 115.975 -0.557 . . . . 6.58 . . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 29.3 tpt180 . . . . . 0 N--CA 1.48 1.048 0 CA-C-O 120.59 0.233 . . . . 4.96 110.554 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 71.8 Cg_endo -84.13 90.72 0.87 Allowed 'Trans proline' 0 N--CA 1.452 -0.951 0 C-N-CA 122.323 2.015 . . . . 1.16 111.926 177.221 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 95.5 m-85 -67.81 139.31 56.59 Favored 'General case' 0 C--N 1.324 -0.517 0 N-CA-C 108.869 -0.789 . . . . 0.66 108.869 175.922 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 4' ' ' NLE . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 33.8 t -82.19 119.65 24.34 Favored 'General case' 0 N--CA 1.441 -0.877 0 N-CA-C 108.71 -0.848 . . . . 0.38 108.71 169.884 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 9.3 t -117.63 20.36 13.51 Favored 'General case' 0 C--N 1.317 -0.836 0 CA-C-O 121.476 0.655 . . . . 2.12 109.741 -178.287 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 7' ' ' TRP . . . . . . . . . . . . . 69.9 t90 -68.31 128.49 36.76 Favored 'General case' 0 N--CA 1.451 -0.395 0 CA-C-N 115.086 -0.961 . . . . 1.43 110.484 -179.555 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 8' ' ' DPR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -103.82 20.42 41.39 Favored Glycine 0 N--CA 1.45 -0.417 0 C-N-CA 120.959 -0.639 . . . . 0.94 111.55 178.531 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 51.8 t -95.69 135.26 37.6 Favored 'General case' 0 C--N 1.321 -0.635 0 N-CA-C 109.937 -0.394 . . . . 0.94 109.937 179.696 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -134.2 47.86 0.97 Allowed Glycine 0 N--CA 1.449 -0.445 0 C-N-CA 121.067 -0.587 . . . . 0.73 111.66 179.257 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 18.6 tptp -79.56 127.47 32.19 Favored 'General case' 0 C--N 1.325 -0.489 0 N-CA-C 110.356 -0.239 . . . . 2.26 110.356 -176.922 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . 0.405 HH12 ' HD2' ' A' ' 13' ' ' ARG . 52.6 mtt180 -107.3 145.97 32.11 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-O 121.116 0.484 . . . . 3.65 111.662 -176.992 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 66.0 m-85 -136.79 162.91 31.9 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 115.545 -0.752 . . . . 0.35 110.216 -176.772 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 11.3 m -106.07 -17.85 14.2 Favored 'General case' 0 C--N 1.32 -0.692 0 CA-C-N 116.088 -0.506 . . . . 1.71 110.02 177.539 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 96.8 mtt180 -121.4 139.27 53.67 Favored 'General case' 0 C--O 1.234 0.281 0 CA-C-N 115.863 -0.608 . . . . 3.66 110.429 179.496 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 33.2 t -68.81 -33.4 73.79 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.725 -0.67 . . . . 1.56 111.65 -175.127 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 4.3 p-10 -69.47 -27.83 65.57 Favored 'General case' 0 N--CA 1.464 0.255 0 C-N-CA 120.837 -0.345 . . . . 2.04 110.498 -179.706 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 11.6 mm-40 -68.48 -44.69 74.24 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.145 -0.479 . . . . 2.45 109.809 174.207 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 44.1 tp -61.54 -43.2 99.3 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.797 -0.638 . . . . 1.07 110.641 175.915 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 21' ' ' GLN . . . . . 0.403 ' O ' ' HG3' ' A' ' 25' ' ' ARG . 47.4 mt-30 -60.58 -50.79 72.1 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.432 -0.349 . . . . 1.96 110.729 178.672 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 25.6 tpt180 -53.91 -51.77 62.67 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.331 -0.395 . . . . 4.02 110.507 176.328 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 23.1 t60 -57.63 -48.19 80.13 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.872 -0.603 . . . . 0.2 111.328 179.688 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 27.5 tptp -60.26 -28.27 67.92 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-O 121.149 0.5 . . . . 2.71 111.087 -175.832 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . 0.403 ' HG3' ' O ' ' A' ' 21' ' ' GLN . 65.1 mtt180 -73.06 -6.16 43.72 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 115.986 -0.552 . . . . 3.78 111.817 -178.665 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 51.6 p -86.04 -22.54 27.19 Favored 'General case' 0 C--N 1.329 -0.292 0 C-N-CA 120.755 -0.378 . . . . 1.14 110.377 174.28 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 97.1 m-70 -81.3 -35.67 30.75 Favored 'General case' 0 C--O 1.233 0.191 0 N-CA-C 109.724 -0.472 . . . . 0.43 109.724 174.481 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 1.7 t -72.19 170.1 14.73 Favored 'General case' 0 N--CA 1.452 -0.331 0 CA-C-N 115.791 -0.64 . . . . 2.36 110.892 -177.62 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 158.06 -49.66 0.42 Allowed Glycine 0 N--CA 1.445 -0.706 0 N-CA-C 110.459 -1.056 . . . . 4.55 110.459 -176.198 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 15.1 mm-40 -88.17 54.61 3.13 Favored 'General case' 0 C--N 1.323 -0.586 0 N-CA-C 109.301 -0.629 . . . . 8.01 109.301 173.679 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 28.5 tptp -164.06 74.1 0.29 Allowed 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.538 -0.755 . . . . 8.52 109.499 -176.364 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 32' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.321 -0.639 0 CA-C-N 115.947 -0.57 . . . . 6.58 . . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 8.3 t . . . . . 0 N--CA 1.449 -0.479 0 N-CA-C 109.347 -0.612 . . . . 0.38 109.347 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 25.8 p -109.25 13.39 24.37 Favored 'General case' 0 C--N 1.32 -0.684 0 CA-C-N 116.257 -0.429 . . . . 1.7 111.364 -175.044 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 7' ' ' TRP . . . . . . . . . . . . . 73.9 t90 . . . . . 0 C--N 1.324 -0.505 0 CA-C-N 116.326 -0.397 . . . . 1.26 109.968 179.065 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.356 0 N-CA-C 111.026 -0.83 . . . . 0.83 111.026 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 53.1 t -82.89 66.1 8.35 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-O 121.237 0.542 . . . . 0.94 110.007 -179.485 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -82.97 58.89 5.03 Favored Glycine 0 N--CA 1.451 -0.351 0 CA-C-N 115.968 -0.56 . . . . 0.43 113.123 -176.002 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 61.1 tttp -87.03 128.63 35.09 Favored 'General case' 0 C--N 1.323 -0.546 0 N-CA-C 110.053 -0.351 . . . . 1.57 110.053 177.643 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 49.7 mtt180 -103.21 138.83 39.48 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 116.258 -0.428 . . . . 3.11 111.189 -175.46 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 86.6 m-85 -123.8 160.77 26.63 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 115.985 -0.552 . . . . 0.32 110.777 -177.844 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 10.5 m -101.22 -27.19 13.35 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 115.82 -0.627 . . . . 1.06 110.559 -177.145 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 16' ' ' ARG . . . . . 0.423 ' HB2' ' HG3' ' A' ' 19' ' ' GLU . 60.7 mtt180 -119.45 143.14 47.67 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 116.002 -0.545 . . . . 3.2 110.379 177.358 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 5.9 p -66.17 -27.73 68.23 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.633 -0.712 . . . . 1.25 111.479 -176.597 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 30.9 t70 -65.81 -34.72 78.82 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.85 0.357 . . . . 2.04 110.485 176.399 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 19' ' ' GLU . . . . . 0.423 ' HG3' ' HB2' ' A' ' 16' ' ' ARG . 59.4 mt-10 -64.68 -43.99 91.8 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.978 -0.556 . . . . 2.45 109.878 178.433 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 48.0 tp -68.21 -41.45 81.31 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.717 -0.674 . . . . 0.22 110.901 178.505 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 54.4 mt-30 -58.9 -49.34 78.17 Favored 'General case' 0 C--O 1.235 0.295 0 CA-C-O 121.099 0.476 . . . . 1.2 110.346 176.626 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 27.5 ttm180 -56.03 -48.76 75.37 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 115.289 -0.869 . . . . 3.55 109.96 177.822 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 40.1 t60 -60.65 -46.89 88.6 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 115.194 -0.912 . . . . 0.17 111.261 -179.908 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 57.6 tptt -56.47 -25.49 51.09 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.254 -0.43 . . . . 2.2 111.286 -177.481 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 93.2 mtt180 -60.29 -23.04 63.84 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.302 -0.408 . . . . 3.16 111.468 178.58 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 82.1 p -70.98 -37.57 72.74 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-O 120.68 0.276 . . . . 0.35 110.784 179.272 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 89.1 m-70 . . . . . 0 C--O 1.234 0.276 0 CA-C-N 116.279 -0.419 . . . . 0.43 110.428 -179.742 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 16.1 t . . . . . 0 N--CA 1.448 -0.531 0 N-CA-C 109.828 -0.434 . . . . 0.38 109.828 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 35.2 p -133.78 21.37 3.88 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 116.151 -0.477 . . . . 1.7 111.166 -177.417 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 7' ' ' TRP . . . . . . . . . . . . . 24.2 t90 . . . . . 0 C--N 1.325 -0.457 0 CA-C-N 116.295 -0.412 . . . . 1.26 110.134 -177.217 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.426 0 N-CA-C 110.985 -0.846 . . . . 0.83 110.985 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 39.7 t -84.39 130.33 34.79 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 115.161 -0.519 . . . . 0.94 110.202 -179.078 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -138.31 57.9 0.63 Allowed Glycine 0 N--CA 1.45 -0.404 0 C-N-CA 120.796 -0.716 . . . . 0.43 112.42 -177.537 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 46.1 tttp -88.36 136.57 32.92 Favored 'General case' 0 C--N 1.323 -0.568 0 N-CA-C 110.13 -0.322 . . . . 1.57 110.13 178.785 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 54.1 mtp180 -101.9 151.26 22.31 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-O 121.107 0.48 . . . . 3.11 111.12 -178.432 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 70.4 m-85 -137.79 175.54 9.5 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 115.626 -0.715 . . . . 0.32 110.491 -176.273 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 3.0 p -119.54 -22.19 7.07 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 116.107 -0.497 . . . . 1.06 111.205 -178.987 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 21.3 mtp180 -126.89 146.67 50.21 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 116.14 -0.482 . . . . 3.2 110.221 174.803 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 17' ' ' SER . . . . . 0.493 ' O ' ' HG3' ' A' ' 21' ' ' GLN . 27.8 p -62.69 -25.74 68.31 Favored 'General case' 0 C--O 1.223 -0.334 0 CA-C-N 115.847 -0.615 . . . . 1.25 110.222 179.035 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 7.8 m-20 -59.64 -42.15 92.08 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.918 -0.583 . . . . 2.04 110.363 177.001 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 49.1 mt-10 -63.13 -45.29 92.65 Favored 'General case' 0 N--CA 1.451 -0.412 0 CA-C-N 115.454 -0.794 . . . . 2.45 109.79 177.895 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 58.7 tp -65.5 -37.35 86.55 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.477 -0.783 . . . . 0.22 111.038 -179.922 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 21' ' ' GLN . . . . . 0.493 ' HG3' ' O ' ' A' ' 17' ' ' SER . 59.8 mt-30 -65.48 -53.5 41.74 Favored 'General case' 0 C--O 1.234 0.28 0 CA-C-O 120.667 0.27 . . . . 1.2 111.024 179.56 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 27.1 ptt180 -62.2 -38.61 89.78 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.903 0.382 . . . . 3.55 110.245 -179.122 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 32.6 t60 -64.14 -49.98 69.99 Favored 'General case' 0 N--CA 1.45 -0.455 0 CA-C-N 115.841 -0.618 . . . . 0.17 110.636 178.155 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 38.1 ttpt -59.76 -22.07 61.6 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.346 -0.388 . . . . 2.2 111.373 -175.452 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 25' ' ' ARG . . . . . 0.45 ' HG3' ' O ' ' A' ' 21' ' ' GLN . 74.1 mtt180 -61.52 -19.58 62.26 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.463 -0.335 . . . . 3.16 111.492 178.221 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 75.8 p -72.4 -34.82 68.18 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-O 121.105 0.479 . . . . 0.35 110.482 177.066 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 80.2 m-70 . . . . . 0 C--N 1.326 -0.432 0 CA-C-N 115.926 -0.579 . . . . 0.43 109.974 178.948 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 51.6 t . . . . . 0 N--CA 1.449 -0.485 0 N-CA-C 109.998 -0.371 . . . . 0.38 109.998 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 20.7 p -113.88 10.93 17.78 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-N 116.06 -0.518 . . . . 1.7 111.354 -177.008 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 7' ' ' TRP . . . . . . . . . . . . . 75.4 t90 . . . . . 0 C--N 1.323 -0.563 0 CA-C-N 116.201 -0.454 . . . . 1.26 110.28 -177.946 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.449 -0.486 0 N-CA-C 111.315 -0.714 . . . . 0.83 111.315 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 52.8 t -84.64 72.27 10.71 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-O 121.152 0.501 . . . . 0.94 110.232 -177.748 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -87.1 63.78 3.96 Favored Glycine 0 N--CA 1.45 -0.401 0 C-N-CA 121.152 -0.547 . . . . 0.43 112.697 -177.771 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 86.2 tttt -93.55 129.02 39.93 Favored 'General case' 0 C--N 1.325 -0.467 0 N-CA-C 109.833 -0.432 . . . . 1.57 109.833 178.265 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 81.5 mtm180 -99.11 148.41 24.08 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-O 120.945 0.402 . . . . 3.11 111.563 -175.498 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 94.4 m-85 -135.18 160.54 38.05 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.789 -0.641 . . . . 0.32 110.436 -178.229 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 5.8 m -111.08 -4.92 14.89 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-O 121.447 0.642 . . . . 1.06 110.173 178.906 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 73.5 mtp180 -125.99 135.48 51.87 Favored 'General case' 0 C--O 1.238 0.452 0 CA-C-N 115.722 -0.672 . . . . 3.2 110.414 178.121 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 17' ' ' SER . . . . . 0.403 ' O ' ' HG3' ' A' ' 21' ' ' GLN . 55.9 p -65.71 -38.99 90.73 Favored 'General case' 0 C--O 1.233 0.235 0 CA-C-N 115.644 -0.707 . . . . 1.25 110.819 -178.765 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 36.6 t70 -67.28 -30.93 70.94 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.974 -0.557 . . . . 2.04 110.893 179.171 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 56.1 mm-40 -70.46 -36.33 73.85 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.424 -0.353 . . . . 2.45 110.984 177.816 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 52.9 tp -66.79 -41.32 87.8 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.459 -0.337 . . . . 0.22 110.284 173.886 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 21' ' ' GLN . . . . . 0.459 ' O ' ' HG3' ' A' ' 25' ' ' ARG . 92.2 mt-30 -59.6 -51.31 70.35 Favored 'General case' 0 C--O 1.235 0.301 0 CA-C-O 121.273 0.558 . . . . 1.2 109.998 175.53 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 77.4 ttt180 -52.23 -49.29 64.28 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 114.736 -1.12 . . . . 3.55 110.432 177.138 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 43.0 t60 -58.08 -50.59 72.94 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 115.509 -0.769 . . . . 0.17 111.017 178.619 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 4.5 tppp? -58.26 -24.2 58.61 Favored 'General case' 0 C--O 1.234 0.269 0 CA-C-N 116.375 -0.375 . . . . 2.2 111.515 -175.82 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 25' ' ' ARG . . . . . 0.459 ' HG3' ' O ' ' A' ' 21' ' ' GLN . 52.9 mtp180 -57.76 -24.81 58.92 Favored 'General case' 0 C--O 1.233 0.214 0 CA-C-O 120.738 0.304 . . . . 3.16 111.451 179.156 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 69.7 p -72.24 -34.74 68.52 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.82 0.343 . . . . 0.35 110.806 179.225 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 83.3 m-70 . . . . . 0 C--O 1.233 0.213 0 N-CA-C 109.73 -0.47 . . . . 0.43 109.73 177.982 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 11.7 t . . . . . 0 N--CA 1.45 -0.463 0 N-CA-C 109.49 -0.559 . . . . 0.38 109.49 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 35.7 p -96.27 22.72 7.39 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-N 116.193 -0.458 . . . . 1.7 111.505 -177.066 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 7' ' ' TRP . . . . . . . . . . . . . 66.4 t90 . . . . . 0 C--N 1.327 -0.39 0 CA-C-N 116.324 -0.398 . . . . 1.26 110.157 179.811 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.403 0 N-CA-C 110.698 -0.961 . . . . 0.83 110.698 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 43.7 t -84.12 67.32 9.67 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 115.163 -0.519 . . . . 0.94 110.232 -178.97 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -81.36 59.4 4.8 Favored Glycine 0 N--CA 1.45 -0.424 0 C-N-CA 121.125 -0.559 . . . . 0.43 112.684 -178.945 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 51.8 tttp -84.63 138.65 32.57 Favored 'General case' 0 C--N 1.322 -0.597 0 N-CA-C 110.109 -0.33 . . . . 1.57 110.109 177.02 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 84.9 mtm180 -109.16 144.57 37.06 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 116.053 -0.521 . . . . 3.11 111.247 -176.971 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 65.6 m-85 -130.81 -179.12 5.12 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 115.463 -0.789 . . . . 0.32 109.482 -178.144 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 19.4 p -125.34 -0.45 7.64 Favored 'General case' 0 C--N 1.319 -0.747 0 CA-C-O 121.058 0.456 . . . . 1.06 110.607 176.89 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 16' ' ' ARG . . . . . 0.421 ' HB3' ' OD2' ' A' ' 18' ' ' ASP . 99.1 mtt180 -137.08 134.84 36.92 Favored 'General case' 0 C--O 1.235 0.316 0 CA-C-N 116.051 -0.522 . . . . 3.2 110.184 179.38 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 9.8 t -70.15 -28.35 65.27 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.93 -0.577 . . . . 1.25 110.252 -176.269 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 18' ' ' ASP . . . . . 0.421 ' OD2' ' HB3' ' A' ' 16' ' ' ARG . 8.7 p-10 -72.09 -31.48 66.12 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.219 -0.446 . . . . 2.04 110.522 177.953 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 18.4 mm-40 -71.01 -37.63 72.66 Favored 'General case' 0 CA--C 1.515 -0.377 0 CA-C-N 116.319 -0.4 . . . . 2.45 110.308 174.945 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 57.0 tp -63.05 -43.7 97.91 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 115.822 -0.627 . . . . 0.22 110.28 174.387 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 94.1 mt-30 -60.84 -47.29 87.05 Favored 'General case' 0 C--O 1.237 0.445 0 CA-C-O 120.884 0.374 . . . . 1.2 110.771 176.739 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 54.7 ttp85 -58.39 -45.1 89.0 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.863 -0.608 . . . . 3.55 110.045 177.639 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 35.1 t60 -59.18 -46.75 87.6 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.655 -0.702 . . . . 0.17 110.712 177.753 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 31.8 mmtp -55.93 -25.59 44.03 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.432 -0.349 . . . . 2.2 111.824 -178.527 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 43.1 mtp180 -61.35 -18.98 61.27 Favored 'General case' 0 C--N 1.328 -0.339 0 N-CA-C 111.897 0.332 . . . . 3.16 111.897 179.787 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 75.9 p -76.74 -30.54 56.64 Favored 'General case' 0 C--O 1.234 0.27 0 CA-C-O 120.943 0.401 . . . . 0.35 110.824 177.258 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 84.6 m-70 . . . . . 0 C--N 1.33 -0.261 0 CA-C-O 121.305 0.574 . . . . 0.43 109.758 177.164 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 10.5 t . . . . . 0 N--CA 1.447 -0.61 0 N-CA-C 109.597 -0.52 . . . . 0.38 109.597 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 16.5 p -118.71 26.0 9.86 Favored 'General case' 0 C--N 1.321 -0.631 0 CA-C-O 120.964 0.411 . . . . 1.7 111.467 -176.503 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 7' ' ' TRP . . . . . . . . . . . . . 62.1 t90 . . . . . 0 C--N 1.323 -0.548 0 CA-C-N 116.249 -0.432 . . . . 1.26 109.851 178.711 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.447 -0.576 0 N-CA-C 111.206 -0.757 . . . . 0.83 111.206 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 42.6 t -74.06 98.65 3.14 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 115.437 -0.382 . . . . 0.94 109.997 -179.906 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -99.9 45.98 1.44 Allowed Glycine 0 N--CA 1.449 -0.436 0 C-N-CA 121.013 -0.613 . . . . 0.43 112.761 -176.625 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 26.9 tptp -72.24 127.73 33.47 Favored 'General case' 0 C--N 1.323 -0.545 0 N-CA-C 110.09 -0.337 . . . . 1.57 110.09 178.428 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 52.0 mtp180 -103.97 152.06 22.44 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 116.357 -0.383 . . . . 3.11 111.075 -177.899 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 14' ' ' PHE . . . . . 0.441 ' HZ ' ' CG ' ' A' ' 23' ' ' HIS . 51.4 m-85 -139.63 155.53 47.37 Favored 'General case' 0 C--O 1.237 0.416 0 CA-C-N 116.081 -0.509 . . . . 0.32 110.803 -176.82 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 16.6 p -102.2 -15.57 16.62 Favored 'General case' 0 C--N 1.321 -0.635 0 CA-C-N 115.734 -0.666 . . . . 1.06 110.194 175.818 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 74.7 mtp180 -124.5 142.51 51.27 Favored 'General case' 0 C--O 1.237 0.432 0 CA-C-N 115.798 -0.637 . . . . 3.2 111.407 -179.937 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 23.0 p -71.2 -29.53 65.27 Favored 'General case' 0 N--CA 1.454 -0.266 0 CA-C-N 115.614 -0.721 . . . . 1.25 110.419 -179.336 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 14.8 m-20 -59.96 -40.79 90.23 Favored 'General case' 0 CA--C 1.517 -0.291 0 CA-C-N 115.958 -0.565 . . . . 2.04 110.169 175.62 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 22.6 mm-40 -71.23 -38.03 72.0 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.7 -0.682 . . . . 2.45 111.205 179.812 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 39.9 tp -62.71 -46.49 87.88 Favored 'General case' 0 C--N 1.328 -0.337 0 C-N-CA 121.023 -0.271 . . . . 0.22 110.602 176.185 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 21' ' ' GLN . . . . . 0.469 ' O ' ' HG3' ' A' ' 25' ' ' ARG . 79.8 mt-30 -62.07 -50.56 71.5 Favored 'General case' 0 C--O 1.234 0.255 0 CA-C-O 121.04 0.448 . . . . 1.2 110.217 178.041 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 61.1 ttt180 -51.19 -57.7 8.08 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.258 -0.883 . . . . 3.55 110.568 177.784 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 23' ' ' HIS . . . . . 0.441 ' CG ' ' HZ ' ' A' ' 14' ' ' PHE . 17.6 t60 -57.41 -46.1 83.85 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 115.757 -0.656 . . . . 0.17 110.976 -179.438 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 5.1 tppp? -56.28 -31.13 63.33 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.473 -0.33 . . . . 2.2 110.86 -176.307 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 25' ' ' ARG . . . . . 0.469 ' HG3' ' O ' ' A' ' 21' ' ' GLN . 90.2 mtt180 -65.3 -15.52 62.61 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.014 -0.539 . . . . 3.16 112.097 -178.528 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 66.8 p -72.35 -31.93 66.04 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 121.038 0.447 . . . . 0.35 109.896 176.619 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 86.3 m-70 . . . . . 0 N--CA 1.454 -0.248 0 N-CA-C 109.413 -0.588 . . . . 0.43 109.413 175.917 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 24.5 t . . . . . 0 N--CA 1.449 -0.511 0 CA-C-O 121.056 0.455 . . . . 0.38 109.81 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 9.9 t -110.16 16.79 21.56 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 116.069 -0.514 . . . . 1.7 110.744 -177.204 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 7' ' ' TRP . . . . . . . . . . . . . 64.9 t90 . . . . . 0 C--N 1.324 -0.511 0 N-CA-C 109.796 -0.446 . . . . 1.26 109.796 179.426 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.448 -0.526 0 N-CA-C 111.106 -0.798 . . . . 0.83 111.106 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 51.5 t -90.08 67.17 6.94 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-O 121.375 0.607 . . . . 0.94 110.291 -179.479 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -84.56 60.87 4.77 Favored Glycine 0 N--CA 1.449 -0.483 0 CA-C-N 115.896 -0.593 . . . . 0.43 112.726 -176.987 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 62.5 tttp -87.28 136.88 32.76 Favored 'General case' 0 C--N 1.323 -0.558 0 N-CA-C 109.964 -0.384 . . . . 1.57 109.964 177.019 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 85.2 mtt180 -99.9 147.29 25.7 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 116.205 -0.452 . . . . 3.11 111.758 -174.641 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 80.1 m-85 -138.64 154.39 48.65 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 115.608 -0.724 . . . . 0.32 110.119 -179.962 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 13.8 m -109.72 -10.86 14.78 Favored 'General case' 0 C--N 1.318 -0.768 0 CA-C-O 121.457 0.646 . . . . 1.06 109.849 176.041 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 98.4 mtt180 -120.57 135.05 55.2 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.756 -0.656 . . . . 3.2 110.24 178.441 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 17' ' ' SER . . . . . 0.523 ' O ' ' HG3' ' A' ' 21' ' ' GLN . 29.8 p -67.85 -34.95 77.69 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.21 -0.45 . . . . 1.25 110.271 -179.966 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 18' ' ' ASP . . . . . 0.423 ' O ' ' HG3' ' A' ' 22' ' ' ARG . 27.5 t70 -60.68 -40.77 93.36 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.744 -0.662 . . . . 2.04 110.53 177.002 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 30.8 mm-40 -61.07 -45.03 96.39 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.747 -0.66 . . . . 2.45 110.535 176.5 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 54.3 tp -64.67 -36.74 85.24 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.802 -0.636 . . . . 0.22 110.937 178.65 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 21' ' ' GLN . . . . . 0.523 ' HG3' ' O ' ' A' ' 17' ' ' SER . 58.3 mt-30 -63.7 -49.69 72.11 Favored 'General case' 0 C--O 1.237 0.405 0 CA-C-O 120.922 0.392 . . . . 1.2 110.321 177.542 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 22' ' ' ARG . . . . . 0.423 ' HG3' ' O ' ' A' ' 18' ' ' ASP . 96.0 mtt180 -54.66 -50.0 69.25 Favored 'General case' 0 C--N 1.332 -0.156 0 CA-C-N 115.787 -0.642 . . . . 3.55 109.84 176.601 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 38.7 t60 -58.64 -47.29 84.89 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 115.387 -0.824 . . . . 0.17 111.031 -179.816 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 50.6 tptt -56.06 -25.92 47.16 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 116.167 -0.47 . . . . 2.2 111.518 -178.357 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 25' ' ' ARG . . . . . 0.41 ' HG3' ' O ' ' A' ' 21' ' ' GLN . 54.8 mtm180 -63.99 -16.31 61.31 Favored 'General case' 0 C--N 1.329 -0.32 0 N-CA-C 111.965 0.358 . . . . 3.16 111.965 179.332 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 80.7 p -77.31 -28.52 53.26 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 121.087 0.47 . . . . 0.35 110.495 176.857 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 86.3 m-70 . . . . . 0 C--N 1.327 -0.398 0 CA-C-N 115.948 -0.569 . . . . 0.43 110.196 177.769 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 5' ' ' CYS . . . . . 0.518 ' O ' ' HA2' ' A' ' 11' ' ' GLY . 14.9 t . . . . . 0 N--CA 1.447 -0.602 0 N-CA-C 109.4 -0.592 . . . . 0.38 109.4 . . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 11.7 t -131.98 33.07 3.97 Favored 'General case' 0 C--N 1.318 -0.769 0 CA-C-O 121.849 0.833 . . . . 1.7 109.764 179.988 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 7' ' ' TRP . . . . . . . . . . . . . 66.2 t90 . . . . . 0 C--N 1.329 -0.321 0 CA-C-N 115.351 -0.84 . . . . 1.26 110.232 179.954 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.448 -0.53 0 N-CA-C 111.657 -0.577 . . . . 0.83 111.657 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 42.5 t -88.73 143.81 26.67 Favored 'General case' 0 C--N 1.322 -0.621 0 N-CA-C 110.095 -0.335 . . . . 0.94 110.095 -179.531 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 11' ' ' GLY . . . . . 0.518 ' HA2' ' O ' ' A' ' 5' ' ' CYS . . . -149.41 44.52 0.73 Allowed Glycine 0 N--CA 1.448 -0.528 0 C-N-CA 120.867 -0.682 . . . . 0.43 112.314 -179.062 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 83.0 tttt -75.48 138.42 41.58 Favored 'General case' 0 C--N 1.327 -0.372 0 N-CA-C 110.0 -0.37 . . . . 1.57 110.0 179.677 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 56.9 mtt180 -110.14 147.06 34.4 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 116.119 -0.491 . . . . 3.11 111.341 -173.544 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 53.3 m-85 -137.45 175.86 9.22 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 115.529 -0.759 . . . . 0.32 109.644 -178.149 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 3.9 m -123.87 0.1 8.56 Favored 'General case' 0 C--N 1.32 -0.687 0 CA-C-O 121.62 0.724 . . . . 1.06 110.005 175.716 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 16' ' ' ARG . . . . . 0.435 ' HB3' ' OD2' ' A' ' 18' ' ' ASP . 21.1 mmm180 -131.25 136.19 48.0 Favored 'General case' 0 C--O 1.238 0.47 0 CA-C-N 115.58 -0.736 . . . . 3.2 110.372 178.947 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 17' ' ' SER . . . . . 0.405 ' O ' ' HG3' ' A' ' 21' ' ' GLN . 9.8 t -66.87 -29.97 70.01 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.545 -0.752 . . . . 1.25 110.299 -177.909 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 18' ' ' ASP . . . . . 0.435 ' OD2' ' HB3' ' A' ' 16' ' ' ARG . 4.8 p-10 -67.41 -34.19 76.73 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.374 -0.375 . . . . 2.04 110.972 178.196 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 50.8 mt-10 -68.05 -46.19 71.8 Favored 'General case' 0 CA--C 1.516 -0.362 0 N-CA-C 109.753 -0.462 . . . . 2.45 109.753 176.329 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 54.1 tp -61.32 -43.62 98.57 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.606 -0.724 . . . . 0.22 110.889 179.409 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 21' ' ' GLN . . . . . 0.425 ' O ' ' HG3' ' A' ' 25' ' ' ARG . 48.2 mt-30 -62.5 -49.32 75.84 Favored 'General case' 0 C--O 1.235 0.34 0 CA-C-N 116.481 -0.327 . . . . 1.2 110.936 179.438 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 22' ' ' ARG . . . . . 0.503 ' HG3' ' NH2' ' A' ' 25' ' ' ARG . 77.1 ttt180 -57.98 -45.76 86.25 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 116.244 -0.434 . . . . 3.55 109.993 177.82 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 31.4 t60 -57.26 -46.85 82.66 Favored 'General case' 0 N--CA 1.451 -0.42 0 CA-C-N 115.601 -0.727 . . . . 0.17 110.691 178.115 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 31.1 mmtp -56.78 -28.47 61.37 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.757 -0.201 . . . . 2.2 111.534 -179.511 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 25' ' ' ARG . . . . . 0.503 ' NH2' ' HG3' ' A' ' 22' ' ' ARG . 16.7 mtm180 -65.89 -12.48 54.87 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.539 -0.3 . . . . 3.16 111.509 -178.939 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 71.4 p -77.8 -38.32 46.79 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 120.904 0.383 . . . . 0.35 110.05 174.911 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 88.7 m-70 . . . . . 0 CA--C 1.518 -0.263 0 N-CA-C 109.502 -0.555 . . . . 0.43 109.502 178.826 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 16.4 t . . . . . 0 N--CA 1.452 -0.343 0 CA-C-O 120.795 0.331 . . . . 0.38 110.386 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 37.4 p -126.19 20.49 7.49 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 115.89 -0.596 . . . . 1.7 111.128 -176.682 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 7' ' ' TRP . . . . . . . . . . . . . 56.9 t90 . . . . . 0 C--N 1.327 -0.388 0 CA-C-N 116.194 -0.457 . . . . 1.26 110.304 -178.525 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.449 -0.486 0 N-CA-C 111.194 -0.763 . . . . 0.83 111.194 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 45.1 t -76.3 140.29 41.45 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 115.289 -0.456 . . . . 0.94 109.993 -179.041 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -147.94 71.12 0.32 Allowed Glycine 0 N--CA 1.446 -0.675 0 C-N-CA 120.711 -0.757 . . . . 0.43 112.467 -175.863 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 24.1 ttmm -109.27 136.75 48.21 Favored 'General case' 0 C--N 1.323 -0.579 0 N-CA-C 109.734 -0.469 . . . . 1.57 109.734 176.914 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 19.6 mtp180 -103.59 148.6 25.8 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 121.045 0.45 . . . . 3.11 111.745 -176.031 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 68.2 m-85 -138.63 163.45 32.04 Favored 'General case' 0 C--O 1.236 0.377 0 CA-C-N 115.591 -0.731 . . . . 0.32 110.249 -178.579 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 17.6 p -109.73 4.1 21.54 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-O 121.163 0.506 . . . . 1.06 110.544 177.918 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 98.9 mtt180 -135.14 136.93 42.29 Favored 'General case' 0 C--O 1.238 0.462 0 CA-C-N 115.813 -0.63 . . . . 3.2 110.113 179.199 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 17' ' ' SER . . . . . 0.451 ' O ' ' HG3' ' A' ' 21' ' ' GLN . 23.3 t -64.38 -37.61 88.13 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 115.88 -0.6 . . . . 1.25 109.655 177.518 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 16.2 t70 -63.54 -37.6 87.95 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 115.884 -0.598 . . . . 2.04 111.007 177.415 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 69.3 mm-40 -64.74 -44.15 91.06 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.317 -0.401 . . . . 2.45 110.476 176.91 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 37.9 tp -62.06 -45.06 95.21 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.841 -0.618 . . . . 0.22 110.843 177.693 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 21' ' ' GLN . . . . . 0.451 ' HG3' ' O ' ' A' ' 17' ' ' SER . 56.2 mt-30 -62.17 -46.93 86.79 Favored 'General case' 0 C--O 1.237 0.43 0 CA-C-O 120.862 0.363 . . . . 1.2 110.658 179.778 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 47.9 ttt180 -56.86 -50.67 71.74 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.761 -0.654 . . . . 3.55 110.148 178.319 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 15.9 t60 -55.16 -49.72 71.13 Favored 'General case' 0 N--CA 1.453 -0.317 0 CA-C-N 115.904 -0.589 . . . . 0.17 110.503 177.149 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 58.1 tttm -64.04 -17.25 63.17 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.852 -0.613 . . . . 2.2 111.384 -174.865 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 25' ' ' ARG . . . . . 0.415 ' HG3' ' O ' ' A' ' 21' ' ' GLN . 82.6 mtt180 -61.21 -19.37 61.55 Favored 'General case' 0 CA--C 1.53 0.195 0 C-N-CA 120.994 -0.283 . . . . 3.16 111.225 175.747 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 74.8 p -72.77 -32.12 65.4 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 121.205 0.526 . . . . 0.35 110.412 176.372 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 75.8 m-70 . . . . . 0 C--N 1.328 -0.349 0 CA-C-O 121.485 0.659 . . . . 0.43 109.458 178.222 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 13.2 t . . . . . 0 N--CA 1.448 -0.533 0 N-CA-C 109.737 -0.468 . . . . 0.38 109.737 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 33.3 p -103.31 20.66 17.35 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-N 116.057 -0.519 . . . . 1.7 111.657 -176.374 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 7' ' ' TRP . . . . . . . . . . . . . 65.0 t90 . . . . . 0 C--N 1.326 -0.453 0 CA-C-N 116.242 -0.436 . . . . 1.26 109.879 178.94 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.449 -0.44 0 N-CA-C 111.235 -0.746 . . . . 0.83 111.235 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 52.6 t -86.43 76.29 9.65 Favored 'General case' 0 N--CA 1.449 -0.515 0 N-CA-C 109.786 -0.45 . . . . 0.94 109.786 179.694 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -94.09 48.98 2.2 Favored Glycine 0 N--CA 1.45 -0.43 0 C-N-CA 120.895 -0.669 . . . . 0.43 113.353 -173.661 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 39.1 ttmt -76.63 135.81 39.17 Favored 'General case' 0 C--N 1.326 -0.418 0 N-CA-C 110.133 -0.321 . . . . 1.57 110.133 176.983 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 79.5 mtm180 -106.77 149.71 27.06 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 116.19 -0.459 . . . . 3.11 111.065 -179.027 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 79.8 m-85 -132.89 166.31 22.61 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 115.628 -0.715 . . . . 0.32 110.603 -175.051 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 20.4 m -105.6 -26.76 11.72 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 115.869 -0.605 . . . . 1.06 110.346 -179.258 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 77.6 mtp180 -120.97 146.44 46.66 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 116.176 -0.465 . . . . 3.2 110.19 179.233 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 17' ' ' SER . . . . . 0.406 ' O ' ' HG3' ' A' ' 21' ' ' GLN . 53.0 p -65.9 -33.24 75.38 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.953 -0.567 . . . . 1.25 110.544 179.846 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 6.4 m-20 -58.64 -37.51 76.09 Favored 'General case' 0 N--CA 1.465 0.324 0 CA-C-N 116.312 -0.404 . . . . 2.04 111.209 177.235 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 52.8 mt-10 -61.3 -51.69 67.82 Favored 'General case' 0 C--N 1.33 -0.271 0 N-CA-C 109.576 -0.528 . . . . 2.45 109.576 176.742 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 54.8 tp -65.16 -37.1 86.31 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.163 -0.926 . . . . 0.22 111.455 -177.96 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 21' ' ' GLN . . . . . 0.408 ' O ' ' HG3' ' A' ' 25' ' ' ARG . 96.4 mt-30 -62.12 -52.7 62.79 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.831 0.348 . . . . 1.2 110.663 178.677 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 48.1 ttt180 -60.04 -47.22 86.75 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.941 -0.572 . . . . 3.55 109.858 179.086 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 26.3 t60 -56.19 -49.23 74.65 Favored 'General case' 0 N--CA 1.452 -0.371 0 CA-C-N 115.808 -0.633 . . . . 0.17 110.96 178.849 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 4.2 tppp? -58.38 -26.77 63.57 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.387 -0.369 . . . . 2.2 111.308 -175.573 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 25' ' ' ARG . . . . . 0.408 ' HG3' ' O ' ' A' ' 21' ' ' GLN . 60.8 mtp180 -65.68 -17.63 64.75 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.107 -0.497 . . . . 3.16 111.933 179.946 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 79.8 p -73.3 -26.86 61.24 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 121.02 0.438 . . . . 0.35 110.203 177.364 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 86.6 m-70 . . . . . 0 N--CA 1.452 -0.328 0 CA-C-N 115.837 -0.62 . . . . 0.43 109.993 177.276 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 33.8 t . . . . . 0 N--CA 1.441 -0.877 0 N-CA-C 108.71 -0.848 . . . . 0.38 108.71 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 9.3 t -117.63 20.36 13.51 Favored 'General case' 0 C--N 1.317 -0.836 0 CA-C-O 121.476 0.655 . . . . 1.7 109.741 -178.287 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 7' ' ' TRP . . . . . . . . . . . . . 69.9 t90 . . . . . 0 N--CA 1.451 -0.395 0 CA-C-N 115.086 -0.961 . . . . 1.26 110.484 -179.555 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.417 0 N-CA-C 111.55 -0.62 . . . . 0.83 111.55 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 51.8 t -95.69 135.26 37.6 Favored 'General case' 0 C--N 1.321 -0.635 0 N-CA-C 109.937 -0.394 . . . . 0.94 109.937 179.696 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -134.2 47.86 0.97 Allowed Glycine 0 N--CA 1.449 -0.445 0 C-N-CA 121.067 -0.587 . . . . 0.43 111.66 179.257 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 18.6 tptp -79.56 127.47 32.19 Favored 'General case' 0 C--N 1.325 -0.489 0 N-CA-C 110.356 -0.239 . . . . 1.57 110.356 -176.922 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 13' ' ' ARG . . . . . 0.419 HH11 ' HD2' ' A' ' 13' ' ' ARG . 52.6 mtt180 -107.3 145.97 32.11 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-O 121.116 0.484 . . . . 3.11 111.662 -176.992 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 66.0 m-85 -136.79 162.91 31.9 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 115.545 -0.752 . . . . 0.32 110.216 -176.772 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 11.3 m -106.07 -17.85 14.2 Favored 'General case' 0 C--N 1.32 -0.692 0 CA-C-N 116.088 -0.506 . . . . 1.06 110.02 177.539 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 96.8 mtt180 -121.4 139.27 53.67 Favored 'General case' 0 C--O 1.234 0.281 0 CA-C-N 115.863 -0.608 . . . . 3.2 110.429 179.496 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 33.2 t -68.81 -33.4 73.79 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.725 -0.67 . . . . 1.25 111.65 -175.127 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 4.3 p-10 -69.47 -27.83 65.57 Favored 'General case' 0 N--CA 1.464 0.255 0 C-N-CA 120.837 -0.345 . . . . 2.04 110.498 -179.706 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 11.6 mm-40 -68.48 -44.69 74.24 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.145 -0.479 . . . . 2.45 109.809 174.207 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 44.1 tp -61.54 -43.2 99.3 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.797 -0.638 . . . . 0.22 110.641 175.915 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 47.4 mt-30 -60.58 -50.79 72.1 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.432 -0.349 . . . . 1.2 110.729 178.672 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 25.6 tpt180 -53.91 -51.77 62.67 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.331 -0.395 . . . . 3.55 110.507 176.328 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 23.1 t60 -57.63 -48.19 80.13 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.872 -0.603 . . . . 0.17 111.328 179.688 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 27.5 tptp -60.26 -28.27 67.92 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-O 121.149 0.5 . . . . 2.2 111.087 -175.832 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 65.1 mtt180 -73.06 -6.16 43.72 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 115.986 -0.552 . . . . 3.16 111.817 -178.665 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 51.6 p -86.04 -22.54 27.19 Favored 'General case' 0 C--N 1.329 -0.292 0 C-N-CA 120.755 -0.378 . . . . 0.35 110.377 174.28 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 97.1 m-70 . . . . . 0 C--O 1.233 0.191 0 N-CA-C 109.724 -0.472 . . . . 0.43 109.724 174.481 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 30.2 tpt180 . . . . . 0 N--CA 1.48 1.027 0 N-CA-C 110.097 -0.334 . . . . 4.45 110.097 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 35.5 Cg_exo -61.55 101.21 0.2 Allowed 'Trans proline' 0 C--N 1.342 0.219 0 C-N-CA 122.59 2.193 . . . . 1.0 112.018 176.714 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 87.7 m-85 -79.99 84.72 5.69 Favored 'General case' 0 C--N 1.325 -0.498 0 N-CA-C 109.475 -0.565 . . . . 0.66 109.475 177.588 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 4' ' ' NLE . . . . . 0.413 ' HA ' ' HA ' ' A' ' 13' ' ' ARG . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 8.3 t -72.19 127.09 31.48 Favored 'General case' 0 N--CA 1.449 -0.479 0 N-CA-C 109.347 -0.612 . . . . 0.38 109.347 171.636 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 25.8 p -109.25 13.39 24.37 Favored 'General case' 0 C--N 1.32 -0.684 0 CA-C-N 116.257 -0.429 . . . . 1.7 111.364 -175.044 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 7' ' ' TRP . . . . . . . . . . . . . 73.9 t90 -74.76 126.16 30.29 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 116.326 -0.397 . . . . 1.26 109.968 179.065 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 8' ' ' DPR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -108.97 16.43 33.08 Favored Glycine 0 N--CA 1.451 -0.356 0 N-CA-C 111.026 -0.83 . . . . 0.83 111.026 175.812 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 53.1 t -82.89 66.1 8.35 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-O 121.237 0.542 . . . . 0.94 110.007 -179.485 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -82.97 58.89 5.03 Favored Glycine 0 N--CA 1.451 -0.351 0 CA-C-N 115.968 -0.56 . . . . 0.43 113.123 -176.002 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 61.1 tttp -87.03 128.63 35.09 Favored 'General case' 0 C--N 1.323 -0.546 0 N-CA-C 110.053 -0.351 . . . . 1.57 110.053 177.643 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 13' ' ' ARG . . . . . 0.413 ' HA ' ' HA ' ' A' ' 4' ' ' NLE . 49.7 mtt180 -103.21 138.83 39.48 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 116.258 -0.428 . . . . 3.11 111.189 -175.46 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 86.6 m-85 -123.8 160.77 26.63 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 115.985 -0.552 . . . . 0.32 110.777 -177.844 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 10.5 m -101.22 -27.19 13.35 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 115.82 -0.627 . . . . 1.06 110.559 -177.145 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 16' ' ' ARG . . . . . 0.423 ' HB2' ' HG3' ' A' ' 19' ' ' GLU . 60.7 mtt180 -119.45 143.14 47.67 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 116.002 -0.545 . . . . 3.2 110.379 177.358 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 5.9 p -66.17 -27.73 68.23 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.633 -0.712 . . . . 1.25 111.479 -176.597 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 30.9 t70 -65.81 -34.72 78.82 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.85 0.357 . . . . 2.04 110.485 176.399 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 19' ' ' GLU . . . . . 0.423 ' HG3' ' HB2' ' A' ' 16' ' ' ARG . 59.4 mt-10 -64.68 -43.99 91.8 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.978 -0.556 . . . . 2.45 109.878 178.433 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 48.0 tp -68.21 -41.45 81.31 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.717 -0.674 . . . . 0.22 110.901 178.505 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 54.4 mt-30 -58.9 -49.34 78.17 Favored 'General case' 0 C--O 1.235 0.295 0 CA-C-O 121.099 0.476 . . . . 1.2 110.346 176.626 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 27.5 ttm180 -56.03 -48.76 75.37 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 115.289 -0.869 . . . . 3.55 109.96 177.822 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 40.1 t60 -60.65 -46.89 88.6 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 115.194 -0.912 . . . . 0.17 111.261 -179.908 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 57.6 tptt -56.47 -25.49 51.09 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.254 -0.43 . . . . 2.2 111.286 -177.481 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 93.2 mtt180 -60.29 -23.04 63.84 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.302 -0.408 . . . . 3.16 111.468 178.58 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 26' ' ' THR . . . . . 0.423 ' HA ' ' N ' ' A' ' 32' ' ' NH2 . 82.1 p -70.98 -37.57 72.74 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-O 120.68 0.276 . . . . 0.35 110.784 179.272 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 89.1 m-70 -82.43 -28.6 31.23 Favored 'General case' 0 C--O 1.234 0.276 0 CA-C-N 116.279 -0.419 . . . . 0.43 110.428 -179.742 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 10.8 m -80.84 76.8 7.75 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-O 121.204 0.526 . . . . 2.16 110.803 -179.241 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 116.33 -174.48 15.27 Favored Glycine 0 N--CA 1.448 -0.516 0 N-CA-C 111.55 -0.62 . . . . 4.55 111.55 -179.689 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 41.1 tt0 -87.17 106.24 17.75 Favored 'General case' 0 C--N 1.324 -0.539 0 N-CA-C 109.127 -0.694 . . . . 8.01 109.127 175.619 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 64.1 tttp 61.93 66.65 0.81 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 121.768 0.794 . . . . 8.09 109.275 -172.17 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 32' ' ' NH2 . . . . . 0.423 ' N ' ' HA ' ' A' ' 26' ' ' THR . . . . . . . . 0 C--N 1.32 -0.716 0 CA-C-N 115.763 -0.653 . . . . 6.2 . . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 22.8 tpt180 . . . . . 0 N--CA 1.482 1.141 0 CA-C-O 120.93 0.395 . . . . 4.45 110.018 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 87.1 Cg_endo -90.0 157.69 4.88 Favored 'Trans proline' 0 N--CA 1.455 -0.768 0 C-N-CA 122.83 2.353 . . . . 1.0 112.736 -177.711 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 3' ' ' PHE . . . . . 0.401 ' HB2' ' HB2' ' A' ' 14' ' ' PHE . 88.9 m-85 -133.11 161.09 35.34 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 115.85 -0.614 . . . . 0.66 109.645 178.91 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 4' ' ' NLE . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 16.1 t -81.76 142.36 32.69 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 115.97 -0.559 . . . . 0.38 109.828 174.671 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 35.2 p -133.78 21.37 3.88 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 116.151 -0.477 . . . . 1.7 111.166 -177.417 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 7' ' ' TRP . . . . . . . . . . . . . 24.2 t90 -78.06 129.2 34.94 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 116.295 -0.412 . . . . 1.26 110.134 -177.217 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 8' ' ' DPR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -112.42 13.72 25.5 Favored Glycine 0 N--CA 1.45 -0.426 0 N-CA-C 110.985 -0.846 . . . . 0.83 110.985 176.782 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 39.7 t -84.39 130.33 34.79 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 115.161 -0.519 . . . . 0.94 110.202 -179.078 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -138.31 57.9 0.63 Allowed Glycine 0 N--CA 1.45 -0.404 0 C-N-CA 120.796 -0.716 . . . . 0.43 112.42 -177.537 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 46.1 tttp -88.36 136.57 32.92 Favored 'General case' 0 C--N 1.323 -0.568 0 N-CA-C 110.13 -0.322 . . . . 1.57 110.13 178.785 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 54.1 mtp180 -101.9 151.26 22.31 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-O 121.107 0.48 . . . . 3.11 111.12 -178.432 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 14' ' ' PHE . . . . . 0.401 ' HB2' ' HB2' ' A' ' 3' ' ' PHE . 70.4 m-85 -137.79 175.54 9.5 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 115.626 -0.715 . . . . 0.32 110.491 -176.273 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 3.0 p -119.54 -22.19 7.07 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 116.107 -0.497 . . . . 1.06 111.205 -178.987 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 21.3 mtp180 -126.89 146.67 50.21 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 116.14 -0.482 . . . . 3.2 110.221 174.803 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 17' ' ' SER . . . . . 0.493 ' O ' ' HG3' ' A' ' 21' ' ' GLN . 27.8 p -62.69 -25.74 68.31 Favored 'General case' 0 C--O 1.223 -0.334 0 CA-C-N 115.847 -0.615 . . . . 1.25 110.222 179.035 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 7.8 m-20 -59.64 -42.15 92.08 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.918 -0.583 . . . . 2.04 110.363 177.001 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 49.1 mt-10 -63.13 -45.29 92.65 Favored 'General case' 0 N--CA 1.451 -0.412 0 CA-C-N 115.454 -0.794 . . . . 2.45 109.79 177.895 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 58.7 tp -65.5 -37.35 86.55 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.477 -0.783 . . . . 0.22 111.038 -179.922 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 21' ' ' GLN . . . . . 0.493 ' HG3' ' O ' ' A' ' 17' ' ' SER . 59.8 mt-30 -65.48 -53.5 41.74 Favored 'General case' 0 C--O 1.234 0.28 0 CA-C-O 120.667 0.27 . . . . 1.2 111.024 179.56 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 27.1 ptt180 -62.2 -38.61 89.78 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.903 0.382 . . . . 3.55 110.245 -179.122 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 32.6 t60 -64.14 -49.98 69.99 Favored 'General case' 0 N--CA 1.45 -0.455 0 CA-C-N 115.841 -0.618 . . . . 0.17 110.636 178.155 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 38.1 ttpt -59.76 -22.07 61.6 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.346 -0.388 . . . . 2.2 111.373 -175.452 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 25' ' ' ARG . . . . . 0.45 ' HG3' ' O ' ' A' ' 21' ' ' GLN . 74.1 mtt180 -61.52 -19.58 62.26 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.463 -0.335 . . . . 3.16 111.492 178.221 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 75.8 p -72.4 -34.82 68.18 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-O 121.105 0.479 . . . . 0.35 110.482 177.066 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 80.2 m-70 -85.14 -47.9 9.69 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.926 -0.579 . . . . 0.43 109.974 178.948 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 15.5 m -103.46 85.18 2.42 Favored 'General case' 0 N--CA 1.448 -0.526 0 CA-C-N 115.653 -0.703 . . . . 2.16 110.453 -176.983 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -166.48 -164.02 21.26 Favored Glycine 0 N--CA 1.444 -0.787 0 N-CA-C 111.205 -0.758 . . . . 4.55 111.205 179.815 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 41.3 tt0 -85.41 79.6 9.4 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-O 121.165 0.507 . . . . 8.01 110.119 -179.417 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 23.3 ttmm -137.1 -81.77 0.37 Allowed 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 115.959 -0.564 . . . . 8.09 109.959 178.744 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 32' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.324 -0.522 0 CA-C-N 116.498 -0.319 . . . . 6.2 . . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 79.1 ttt180 . . . . . 0 N--CA 1.478 0.972 0 CA-C-O 120.492 0.187 . . . . 4.45 110.741 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 70.8 Cg_endo -77.68 145.05 22.73 Favored 'Trans proline' 0 C--O 1.235 0.364 0 C-N-CA 122.37 2.047 . . . . 1.0 111.49 175.045 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 3' ' ' PHE . . . . . 0.426 ' CZ ' ' HB3' ' A' ' 17' ' ' SER . 98.6 m-85 -98.31 150.27 21.73 Favored 'General case' 0 C--N 1.321 -0.642 0 CA-C-N 116.393 -0.367 . . . . 0.66 110.433 -175.683 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 4' ' ' NLE . . . . . 0.408 ' HA ' ' HA ' ' A' ' 13' ' ' ARG . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 51.6 t -72.14 136.34 46.48 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 115.947 -0.569 . . . . 0.38 109.998 176.3 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 20.7 p -113.88 10.93 17.78 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-N 116.06 -0.518 . . . . 1.7 111.354 -177.008 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 7' ' ' TRP . . . . . . . . . . . . . 75.4 t90 -82.33 122.58 28.15 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 116.201 -0.454 . . . . 1.26 110.28 -177.946 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 8' ' ' DPR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -103.12 18.24 49.74 Favored Glycine 0 N--CA 1.449 -0.486 0 N-CA-C 111.315 -0.714 . . . . 0.83 111.315 176.144 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 52.8 t -84.64 72.27 10.71 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-O 121.152 0.501 . . . . 0.94 110.232 -177.748 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -87.1 63.78 3.96 Favored Glycine 0 N--CA 1.45 -0.401 0 C-N-CA 121.152 -0.547 . . . . 0.43 112.697 -177.771 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 86.2 tttt -93.55 129.02 39.93 Favored 'General case' 0 C--N 1.325 -0.467 0 N-CA-C 109.833 -0.432 . . . . 1.57 109.833 178.265 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 13' ' ' ARG . . . . . 0.408 ' HA ' ' HA ' ' A' ' 4' ' ' NLE . 81.5 mtm180 -99.11 148.41 24.08 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-O 120.945 0.402 . . . . 3.11 111.563 -175.498 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 94.4 m-85 -135.18 160.54 38.05 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.789 -0.641 . . . . 0.32 110.436 -178.229 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 5.8 m -111.08 -4.92 14.89 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-O 121.447 0.642 . . . . 1.06 110.173 178.906 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 73.5 mtp180 -125.99 135.48 51.87 Favored 'General case' 0 C--O 1.238 0.452 0 CA-C-N 115.722 -0.672 . . . . 3.2 110.414 178.121 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 17' ' ' SER . . . . . 0.426 ' HB3' ' CZ ' ' A' ' 3' ' ' PHE . 55.9 p -65.71 -38.99 90.73 Favored 'General case' 0 C--O 1.233 0.235 0 CA-C-N 115.644 -0.707 . . . . 1.25 110.819 -178.765 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 36.6 t70 -67.28 -30.93 70.94 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.974 -0.557 . . . . 2.04 110.893 179.171 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 56.1 mm-40 -70.46 -36.33 73.85 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.424 -0.353 . . . . 2.45 110.984 177.816 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 52.9 tp -66.79 -41.32 87.8 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.459 -0.337 . . . . 0.22 110.284 173.886 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 21' ' ' GLN . . . . . 0.459 ' O ' ' HG3' ' A' ' 25' ' ' ARG . 92.2 mt-30 -59.6 -51.31 70.35 Favored 'General case' 0 C--O 1.235 0.301 0 CA-C-O 121.273 0.558 . . . . 1.2 109.998 175.53 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 77.4 ttt180 -52.23 -49.29 64.28 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 114.736 -1.12 . . . . 3.55 110.432 177.138 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 43.0 t60 -58.08 -50.59 72.94 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 115.509 -0.769 . . . . 0.17 111.017 178.619 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 4.5 tppp? -58.26 -24.2 58.61 Favored 'General case' 0 C--O 1.234 0.269 0 CA-C-N 116.375 -0.375 . . . . 2.2 111.515 -175.82 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 25' ' ' ARG . . . . . 0.459 ' HG3' ' O ' ' A' ' 21' ' ' GLN . 52.9 mtp180 -57.76 -24.81 58.92 Favored 'General case' 0 C--O 1.233 0.214 0 CA-C-O 120.738 0.304 . . . . 3.16 111.451 179.156 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 69.7 p -72.24 -34.74 68.52 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.82 0.343 . . . . 0.35 110.806 179.225 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 83.3 m-70 -79.25 -34.01 43.05 Favored 'General case' 0 C--O 1.233 0.213 0 N-CA-C 109.73 -0.47 . . . . 0.43 109.73 177.982 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 33.4 m 74.87 -56.92 0.62 Allowed 'General case' 0 N--CA 1.464 0.25 0 CA-C-N 115.366 -0.834 . . . . 2.16 111.618 177.584 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -131.72 172.0 21.07 Favored Glycine 0 N--CA 1.445 -0.765 0 C-N-CA 120.919 -0.658 . . . . 4.55 111.89 -179.557 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 23.2 tp10 -75.83 -69.39 0.5 Allowed 'General case' 0 C--N 1.324 -0.522 0 N-CA-C 110.14 -0.319 . . . . 8.01 110.14 -179.878 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 97.7 mttt 54.42 75.73 0.27 Allowed 'General case' 0 N--CA 1.462 0.164 0 CA-C-O 121.359 0.6 . . . . 8.09 111.362 178.861 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 32' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.32 -0.705 0 CA-C-N 116.214 -0.448 . . . . 6.2 . . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 42.4 ttm180 . . . . . 0 N--CA 1.477 0.885 0 N-CA-C 110.37 -0.233 . . . . 4.45 110.37 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 93.5 Cg_endo -81.56 157.13 19.0 Favored 'Trans proline' 0 N--CA 1.459 -0.501 0 C-N-CA 122.526 2.151 . . . . 1.0 112.154 179.276 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 96.7 m-85 -131.68 155.55 47.43 Favored 'General case' 0 C--N 1.319 -0.737 0 CA-C-N 115.898 -0.592 . . . . 0.66 109.429 178.763 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 4' ' ' NLE . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 11.7 t -79.45 116.19 19.53 Favored 'General case' 0 C--N 1.324 -0.524 0 N-CA-C 109.49 -0.559 . . . . 0.38 109.49 172.22 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 35.7 p -96.27 22.72 7.39 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-N 116.193 -0.458 . . . . 1.7 111.505 -177.066 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 7' ' ' TRP . . . . . . . . . . . . . 66.4 t90 -88.52 128.41 35.55 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.324 -0.398 . . . . 1.26 110.157 179.811 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 8' ' ' DPR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -106.59 16.87 40.27 Favored Glycine 0 N--CA 1.45 -0.403 0 N-CA-C 110.698 -0.961 . . . . 0.83 110.698 175.117 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 43.7 t -84.12 67.32 9.67 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 115.163 -0.519 . . . . 0.94 110.232 -178.97 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -81.36 59.4 4.8 Favored Glycine 0 N--CA 1.45 -0.424 0 C-N-CA 121.125 -0.559 . . . . 0.43 112.684 -178.945 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 51.8 tttp -84.63 138.65 32.57 Favored 'General case' 0 C--N 1.322 -0.597 0 N-CA-C 110.109 -0.33 . . . . 1.57 110.109 177.02 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 84.9 mtm180 -109.16 144.57 37.06 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 116.053 -0.521 . . . . 3.11 111.247 -176.971 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 65.6 m-85 -130.81 -179.12 5.12 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 115.463 -0.789 . . . . 0.32 109.482 -178.144 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 19.4 p -125.34 -0.45 7.64 Favored 'General case' 0 C--N 1.319 -0.747 0 CA-C-O 121.058 0.456 . . . . 1.06 110.607 176.89 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 16' ' ' ARG . . . . . 0.421 ' HB3' ' OD2' ' A' ' 18' ' ' ASP . 99.1 mtt180 -137.08 134.84 36.92 Favored 'General case' 0 C--O 1.235 0.316 0 CA-C-N 116.051 -0.522 . . . . 3.2 110.184 179.38 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 9.8 t -70.15 -28.35 65.27 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.93 -0.577 . . . . 1.25 110.252 -176.269 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 18' ' ' ASP . . . . . 0.421 ' OD2' ' HB3' ' A' ' 16' ' ' ARG . 8.7 p-10 -72.09 -31.48 66.12 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.219 -0.446 . . . . 2.04 110.522 177.953 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 18.4 mm-40 -71.01 -37.63 72.66 Favored 'General case' 0 CA--C 1.515 -0.377 0 CA-C-N 116.319 -0.4 . . . . 2.45 110.308 174.945 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 57.0 tp -63.05 -43.7 97.91 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 115.822 -0.627 . . . . 0.22 110.28 174.387 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 94.1 mt-30 -60.84 -47.29 87.05 Favored 'General case' 0 C--O 1.237 0.445 0 CA-C-O 120.884 0.374 . . . . 1.2 110.771 176.739 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 54.7 ttp85 -58.39 -45.1 89.0 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.863 -0.608 . . . . 3.55 110.045 177.639 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 35.1 t60 -59.18 -46.75 87.6 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.655 -0.702 . . . . 0.17 110.712 177.753 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 31.8 mmtp -55.93 -25.59 44.03 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.432 -0.349 . . . . 2.2 111.824 -178.527 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 43.1 mtp180 -61.35 -18.98 61.27 Favored 'General case' 0 C--N 1.328 -0.339 0 N-CA-C 111.897 0.332 . . . . 3.16 111.897 179.787 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 75.9 p -76.74 -30.54 56.64 Favored 'General case' 0 C--O 1.234 0.27 0 CA-C-O 120.943 0.401 . . . . 0.35 110.824 177.258 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 84.6 m-70 -85.87 -42.85 13.76 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 121.305 0.574 . . . . 0.43 109.758 177.164 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 23.5 p -104.03 69.19 0.93 Allowed 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 115.387 -0.824 . . . . 2.16 110.62 -178.019 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -80.2 -25.35 57.57 Favored Glycine 0 N--CA 1.443 -0.837 0 C-N-CA 120.765 -0.731 . . . . 4.55 111.954 -179.715 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 10.2 tp10 -67.15 -55.47 14.05 Favored 'General case' 0 C--N 1.321 -0.631 0 CA-C-O 120.812 0.339 . . . . 8.01 110.601 -178.857 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 74.9 mmtt -110.4 85.51 2.12 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-O 121.203 0.525 . . . . 8.09 110.301 -179.194 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 32' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.319 -0.749 0 CA-C-N 115.96 -0.564 . . . . 6.2 . . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 89.6 mtt180 . . . . . 0 N--CA 1.478 0.935 0 CA-C-O 120.669 0.271 . . . . 4.45 110.488 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 23.5 Cg_exo -64.95 103.28 0.48 Allowed 'Trans proline' 0 N--CA 1.464 -0.25 0 C-N-CA 122.761 2.307 . . . . 1.0 111.318 176.381 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 3' ' ' PHE . . . . . 0.456 ' HB2' ' HB2' ' A' ' 14' ' ' PHE . 78.9 m-85 -85.52 147.67 26.33 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 116.401 -0.363 . . . . 0.66 110.248 -178.919 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 4' ' ' NLE . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 10.5 t -73.12 135.29 44.71 Favored 'General case' 0 N--CA 1.447 -0.61 0 CA-C-N 115.721 -0.672 . . . . 0.38 109.597 173.303 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 16.5 p -118.71 26.0 9.86 Favored 'General case' 0 C--N 1.321 -0.631 0 CA-C-O 120.964 0.411 . . . . 1.7 111.467 -176.503 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 7' ' ' TRP . . . . . . . . . . . . . 62.1 t90 -87.84 126.29 34.94 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 116.249 -0.432 . . . . 1.26 109.851 178.711 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 8' ' ' DPR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -107.52 13.23 39.37 Favored Glycine 0 N--CA 1.447 -0.576 0 N-CA-C 111.206 -0.757 . . . . 0.83 111.206 174.759 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 42.6 t -74.06 98.65 3.14 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 115.437 -0.382 . . . . 0.94 109.997 -179.906 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -99.9 45.98 1.44 Allowed Glycine 0 N--CA 1.449 -0.436 0 C-N-CA 121.013 -0.613 . . . . 0.43 112.761 -176.625 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 26.9 tptp -72.24 127.73 33.47 Favored 'General case' 0 C--N 1.323 -0.545 0 N-CA-C 110.09 -0.337 . . . . 1.57 110.09 178.428 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 52.0 mtp180 -103.97 152.06 22.44 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 116.357 -0.383 . . . . 3.11 111.075 -177.899 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 14' ' ' PHE . . . . . 0.456 ' HB2' ' HB2' ' A' ' 3' ' ' PHE . 51.4 m-85 -139.63 155.53 47.37 Favored 'General case' 0 C--O 1.237 0.416 0 CA-C-N 116.081 -0.509 . . . . 0.32 110.803 -176.82 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 16.6 p -102.2 -15.57 16.62 Favored 'General case' 0 C--N 1.321 -0.635 0 CA-C-N 115.734 -0.666 . . . . 1.06 110.194 175.818 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 74.7 mtp180 -124.5 142.51 51.27 Favored 'General case' 0 C--O 1.237 0.432 0 CA-C-N 115.798 -0.637 . . . . 3.2 111.407 -179.937 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 23.0 p -71.2 -29.53 65.27 Favored 'General case' 0 N--CA 1.454 -0.266 0 CA-C-N 115.614 -0.721 . . . . 1.25 110.419 -179.336 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 14.8 m-20 -59.96 -40.79 90.23 Favored 'General case' 0 CA--C 1.517 -0.291 0 CA-C-N 115.958 -0.565 . . . . 2.04 110.169 175.62 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 22.6 mm-40 -71.23 -38.03 72.0 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.7 -0.682 . . . . 2.45 111.205 179.812 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 39.9 tp -62.71 -46.49 87.88 Favored 'General case' 0 C--N 1.328 -0.337 0 C-N-CA 121.023 -0.271 . . . . 0.22 110.602 176.185 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 21' ' ' GLN . . . . . 0.469 ' O ' ' HG3' ' A' ' 25' ' ' ARG . 79.8 mt-30 -62.07 -50.56 71.5 Favored 'General case' 0 C--O 1.234 0.255 0 CA-C-O 121.04 0.448 . . . . 1.2 110.217 178.041 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 61.1 ttt180 -51.19 -57.7 8.08 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.258 -0.883 . . . . 3.55 110.568 177.784 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 23' ' ' HIS . . . . . 0.441 ' CG ' ' HZ ' ' A' ' 14' ' ' PHE . 17.6 t60 -57.41 -46.1 83.85 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 115.757 -0.656 . . . . 0.17 110.976 -179.438 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 5.1 tppp? -56.28 -31.13 63.33 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.473 -0.33 . . . . 2.2 110.86 -176.307 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 25' ' ' ARG . . . . . 0.469 ' HG3' ' O ' ' A' ' 21' ' ' GLN . 90.2 mtt180 -65.3 -15.52 62.61 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.014 -0.539 . . . . 3.16 112.097 -178.528 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 66.8 p -72.35 -31.93 66.04 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 121.038 0.447 . . . . 0.35 109.896 176.619 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 86.3 m-70 -86.75 -53.49 4.9 Favored 'General case' 0 N--CA 1.454 -0.248 0 N-CA-C 109.413 -0.588 . . . . 0.43 109.413 175.917 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 32.3 m -132.4 92.63 3.11 Favored 'General case' 0 N--CA 1.447 -0.606 0 CA-C-N 115.359 -0.837 . . . . 2.16 110.665 -175.393 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -131.84 -48.23 0.11 Allowed Glycine 0 N--CA 1.449 -0.493 0 C-N-CA 120.707 -0.758 . . . . 4.55 111.704 177.689 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 8.8 tp10 -91.03 -41.1 11.27 Favored 'General case' 0 C--N 1.321 -0.632 0 CA-C-O 121.028 0.442 . . . . 8.01 109.946 177.78 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 87.8 tttt -130.01 99.26 5.02 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 115.964 -0.562 . . . . 8.09 110.183 179.651 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 32' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.322 -0.623 0 CA-C-N 116.461 -0.336 . . . . 6.2 . . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 96.7 mtt180 . . . . . 0 N--CA 1.48 1.063 0 N-CA-C 109.811 -0.44 . . . . 4.45 109.811 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 72.6 Cg_endo -78.18 119.06 4.51 Favored 'Trans proline' 0 N--CA 1.463 -0.299 0 C-N-CA 122.583 2.189 . . . . 1.0 112.559 -178.952 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 3' ' ' PHE . . . . . 0.485 ' CZ ' ' HB3' ' A' ' 17' ' ' SER . 93.4 m-85 -115.29 147.4 40.46 Favored 'General case' 0 C--N 1.323 -0.545 0 N-CA-C 109.984 -0.376 . . . . 0.66 109.984 176.474 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 4' ' ' NLE . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 24.5 t -76.79 129.54 36.41 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-O 121.056 0.455 . . . . 0.38 109.81 175.323 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 9.9 t -110.16 16.79 21.56 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 116.069 -0.514 . . . . 1.7 110.744 -177.204 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 7' ' ' TRP . . . . . . . . . . . . . 64.9 t90 -82.14 123.98 29.47 Favored 'General case' 0 C--N 1.324 -0.511 0 N-CA-C 109.796 -0.446 . . . . 1.26 109.796 179.426 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 8' ' ' DPR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -98.57 23.41 36.39 Favored Glycine 0 N--CA 1.448 -0.526 0 N-CA-C 111.106 -0.798 . . . . 0.83 111.106 175.302 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 51.5 t -90.08 67.17 6.94 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-O 121.375 0.607 . . . . 0.94 110.291 -179.479 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -84.56 60.87 4.77 Favored Glycine 0 N--CA 1.449 -0.483 0 CA-C-N 115.896 -0.593 . . . . 0.43 112.726 -176.987 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 62.5 tttp -87.28 136.88 32.76 Favored 'General case' 0 C--N 1.323 -0.558 0 N-CA-C 109.964 -0.384 . . . . 1.57 109.964 177.019 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 85.2 mtt180 -99.9 147.29 25.7 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 116.205 -0.452 . . . . 3.11 111.758 -174.641 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 80.1 m-85 -138.64 154.39 48.65 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 115.608 -0.724 . . . . 0.32 110.119 -179.962 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 13.8 m -109.72 -10.86 14.78 Favored 'General case' 0 C--N 1.318 -0.768 0 CA-C-O 121.457 0.646 . . . . 1.06 109.849 176.041 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 98.4 mtt180 -120.57 135.05 55.2 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.756 -0.656 . . . . 3.2 110.24 178.441 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 17' ' ' SER . . . . . 0.523 ' O ' ' HG3' ' A' ' 21' ' ' GLN . 29.8 p -67.85 -34.95 77.69 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.21 -0.45 . . . . 1.25 110.271 -179.966 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 18' ' ' ASP . . . . . 0.423 ' O ' ' HG3' ' A' ' 22' ' ' ARG . 27.5 t70 -60.68 -40.77 93.36 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.744 -0.662 . . . . 2.04 110.53 177.002 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 30.8 mm-40 -61.07 -45.03 96.39 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.747 -0.66 . . . . 2.45 110.535 176.5 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 54.3 tp -64.67 -36.74 85.24 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.802 -0.636 . . . . 0.22 110.937 178.65 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 21' ' ' GLN . . . . . 0.523 ' HG3' ' O ' ' A' ' 17' ' ' SER . 58.3 mt-30 -63.7 -49.69 72.11 Favored 'General case' 0 C--O 1.237 0.405 0 CA-C-O 120.922 0.392 . . . . 1.2 110.321 177.542 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 22' ' ' ARG . . . . . 0.423 ' HG3' ' O ' ' A' ' 18' ' ' ASP . 96.0 mtt180 -54.66 -50.0 69.25 Favored 'General case' 0 C--N 1.332 -0.156 0 CA-C-N 115.787 -0.642 . . . . 3.55 109.84 176.601 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 38.7 t60 -58.64 -47.29 84.89 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 115.387 -0.824 . . . . 0.17 111.031 -179.816 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 50.6 tptt -56.06 -25.92 47.16 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 116.167 -0.47 . . . . 2.2 111.518 -178.357 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 25' ' ' ARG . . . . . 0.496 ' HA ' ' O ' ' A' ' 28' ' ' THR . 54.8 mtm180 -63.99 -16.31 61.31 Favored 'General case' 0 C--N 1.329 -0.32 0 N-CA-C 111.965 0.358 . . . . 3.16 111.965 179.332 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 80.7 p -77.31 -28.52 53.26 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 121.087 0.47 . . . . 0.35 110.495 176.857 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 86.3 m-70 -90.46 -42.98 10.56 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.948 -0.569 . . . . 0.43 110.196 177.769 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 28' ' ' THR . . . . . 0.496 ' O ' ' HA ' ' A' ' 25' ' ' ARG . 11.4 m -126.2 114.94 19.0 Favored 'General case' 0 N--CA 1.448 -0.55 0 CA-C-N 115.819 -0.628 . . . . 2.16 109.995 -179.798 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 111.29 14.43 11.79 Favored Glycine 0 N--CA 1.445 -0.703 0 C-N-CA 120.614 -0.803 . . . . 4.55 111.707 -177.575 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 6.0 tp10 -82.97 -41.91 18.23 Favored 'General case' 0 C--N 1.325 -0.47 0 N-CA-C 109.372 -0.603 . . . . 8.01 109.372 177.438 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 59.7 tttm -88.69 89.59 8.05 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 115.515 -0.766 . . . . 8.09 109.918 178.78 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 32' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.32 -0.708 0 CA-C-N 116.401 -0.363 . . . . 6.2 . . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 18.0 ptp180 . . . . . 0 N--CA 1.48 1.038 0 N-CA-C 110.404 -0.221 . . . . 4.45 110.404 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 84.6 Cg_endo -83.39 149.68 13.19 Favored 'Trans proline' 0 N--CA 1.455 -0.736 0 C-N-CA 122.444 2.096 . . . . 1.0 112.243 178.499 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 95.3 m-85 -124.6 152.51 43.48 Favored 'General case' 0 C--N 1.321 -0.66 0 CA-C-N 115.869 -0.605 . . . . 0.66 109.78 179.388 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 4' ' ' NLE . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 5' ' ' CYS . . . . . 0.518 ' O ' ' HA2' ' A' ' 11' ' ' GLY . 14.9 t -83.83 136.32 34.17 Favored 'General case' 0 N--CA 1.447 -0.602 0 CA-C-N 115.878 -0.601 . . . . 0.38 109.4 172.405 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 11.7 t -131.98 33.07 3.97 Favored 'General case' 0 C--N 1.318 -0.769 0 CA-C-O 121.849 0.833 . . . . 1.7 109.764 179.988 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 7' ' ' TRP . . . . . . . . . . . . . 66.2 t90 -82.6 129.11 34.88 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.351 -0.84 . . . . 1.26 110.232 179.954 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 8' ' ' DPR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -106.13 12.77 44.72 Favored Glycine 0 N--CA 1.448 -0.53 0 C-N-CA 120.89 -0.671 . . . . 0.83 111.657 177.954 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 42.5 t -88.73 143.81 26.67 Favored 'General case' 0 C--N 1.322 -0.621 0 N-CA-C 110.095 -0.335 . . . . 0.94 110.095 -179.531 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 11' ' ' GLY . . . . . 0.518 ' HA2' ' O ' ' A' ' 5' ' ' CYS . . . -149.41 44.52 0.73 Allowed Glycine 0 N--CA 1.448 -0.528 0 C-N-CA 120.867 -0.682 . . . . 0.43 112.314 -179.062 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 83.0 tttt -75.48 138.42 41.58 Favored 'General case' 0 C--N 1.327 -0.372 0 N-CA-C 110.0 -0.37 . . . . 1.57 110.0 179.677 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 56.9 mtt180 -110.14 147.06 34.4 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 116.119 -0.491 . . . . 3.11 111.341 -173.544 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 53.3 m-85 -137.45 175.86 9.22 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 115.529 -0.759 . . . . 0.32 109.644 -178.149 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 3.9 m -123.87 0.1 8.56 Favored 'General case' 0 C--N 1.32 -0.687 0 CA-C-O 121.62 0.724 . . . . 1.06 110.005 175.716 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 16' ' ' ARG . . . . . 0.435 ' HB3' ' OD2' ' A' ' 18' ' ' ASP . 21.1 mmm180 -131.25 136.19 48.0 Favored 'General case' 0 C--O 1.238 0.47 0 CA-C-N 115.58 -0.736 . . . . 3.2 110.372 178.947 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 17' ' ' SER . . . . . 0.405 ' O ' ' HG3' ' A' ' 21' ' ' GLN . 9.8 t -66.87 -29.97 70.01 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.545 -0.752 . . . . 1.25 110.299 -177.909 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 18' ' ' ASP . . . . . 0.435 ' OD2' ' HB3' ' A' ' 16' ' ' ARG . 4.8 p-10 -67.41 -34.19 76.73 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.374 -0.375 . . . . 2.04 110.972 178.196 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 50.8 mt-10 -68.05 -46.19 71.8 Favored 'General case' 0 CA--C 1.516 -0.362 0 N-CA-C 109.753 -0.462 . . . . 2.45 109.753 176.329 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 54.1 tp -61.32 -43.62 98.57 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.606 -0.724 . . . . 0.22 110.889 179.409 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 21' ' ' GLN . . . . . 0.425 ' O ' ' HG3' ' A' ' 25' ' ' ARG . 48.2 mt-30 -62.5 -49.32 75.84 Favored 'General case' 0 C--O 1.235 0.34 0 CA-C-N 116.481 -0.327 . . . . 1.2 110.936 179.438 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 22' ' ' ARG . . . . . 0.503 ' HG3' ' NH2' ' A' ' 25' ' ' ARG . 77.1 ttt180 -57.98 -45.76 86.25 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 116.244 -0.434 . . . . 3.55 109.993 177.82 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 31.4 t60 -57.26 -46.85 82.66 Favored 'General case' 0 N--CA 1.451 -0.42 0 CA-C-N 115.601 -0.727 . . . . 0.17 110.691 178.115 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 31.1 mmtp -56.78 -28.47 61.37 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.757 -0.201 . . . . 2.2 111.534 -179.511 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 25' ' ' ARG . . . . . 0.503 ' NH2' ' HG3' ' A' ' 22' ' ' ARG . 16.7 mtm180 -65.89 -12.48 54.87 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.539 -0.3 . . . . 3.16 111.509 -178.939 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 71.4 p -77.8 -38.32 46.79 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 120.904 0.383 . . . . 0.35 110.05 174.911 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 88.7 m-70 -74.14 -45.22 50.2 Favored 'General case' 0 CA--C 1.518 -0.263 0 N-CA-C 109.502 -0.555 . . . . 0.43 109.502 178.826 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 2.6 m -87.85 20.39 3.08 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 115.768 -0.651 . . . . 2.16 110.254 179.947 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -70.81 -25.95 74.86 Favored Glycine 0 N--CA 1.453 -0.195 0 CA-C-N 115.853 -0.612 . . . . 4.55 112.171 -179.222 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 12.0 pt-20 -83.11 -2.7 56.07 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-O 120.826 0.346 . . . . 8.01 110.655 178.686 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 86.3 tttt -128.81 79.99 1.94 Allowed 'General case' 0 C--N 1.325 -0.461 0 CA-C-O 121.367 0.603 . . . . 8.09 109.929 -179.671 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 32' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.319 -0.755 0 CA-C-N 116.19 -0.459 . . . . 6.2 . . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 16.5 ptt180 . . . . . 0 N--CA 1.482 1.143 0 N-CA-C 110.447 -0.205 . . . . 4.45 110.447 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 57.3 Cg_endo -71.71 148.27 52.46 Favored 'Trans proline' 0 C--N 1.342 0.211 0 C-N-CA 122.444 2.096 . . . . 1.0 111.365 175.158 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 96.5 m-85 -109.22 149.17 29.79 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-O 120.689 0.28 . . . . 0.66 110.668 -176.987 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 4' ' ' NLE . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 16.4 t -80.47 136.88 36.4 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 115.995 -0.548 . . . . 0.38 110.386 176.154 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 37.4 p -126.19 20.49 7.49 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 115.89 -0.596 . . . . 1.7 111.128 -176.682 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 7' ' ' TRP . . . . . . . . . . . . . 56.9 t90 -77.43 128.89 35.0 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.194 -0.457 . . . . 1.26 110.304 -178.525 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 8' ' ' DPR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -114.36 11.73 21.69 Favored Glycine 0 N--CA 1.449 -0.486 0 N-CA-C 111.194 -0.763 . . . . 0.83 111.194 176.306 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 45.1 t -76.3 140.29 41.45 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 115.289 -0.456 . . . . 0.94 109.993 -179.041 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -147.94 71.12 0.32 Allowed Glycine 0 N--CA 1.446 -0.675 0 C-N-CA 120.711 -0.757 . . . . 0.43 112.467 -175.863 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 24.1 ttmm -109.27 136.75 48.21 Favored 'General case' 0 C--N 1.323 -0.579 0 N-CA-C 109.734 -0.469 . . . . 1.57 109.734 176.914 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 19.6 mtp180 -103.59 148.6 25.8 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 121.045 0.45 . . . . 3.11 111.745 -176.031 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 68.2 m-85 -138.63 163.45 32.04 Favored 'General case' 0 C--O 1.236 0.377 0 CA-C-N 115.591 -0.731 . . . . 0.32 110.249 -178.579 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 17.6 p -109.73 4.1 21.54 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-O 121.163 0.506 . . . . 1.06 110.544 177.918 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 98.9 mtt180 -135.14 136.93 42.29 Favored 'General case' 0 C--O 1.238 0.462 0 CA-C-N 115.813 -0.63 . . . . 3.2 110.113 179.199 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 17' ' ' SER . . . . . 0.451 ' O ' ' HG3' ' A' ' 21' ' ' GLN . 23.3 t -64.38 -37.61 88.13 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 115.88 -0.6 . . . . 1.25 109.655 177.518 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 16.2 t70 -63.54 -37.6 87.95 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 115.884 -0.598 . . . . 2.04 111.007 177.415 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 69.3 mm-40 -64.74 -44.15 91.06 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.317 -0.401 . . . . 2.45 110.476 176.91 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 37.9 tp -62.06 -45.06 95.21 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.841 -0.618 . . . . 0.22 110.843 177.693 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 21' ' ' GLN . . . . . 0.451 ' HG3' ' O ' ' A' ' 17' ' ' SER . 56.2 mt-30 -62.17 -46.93 86.79 Favored 'General case' 0 C--O 1.237 0.43 0 CA-C-O 120.862 0.363 . . . . 1.2 110.658 179.778 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 47.9 ttt180 -56.86 -50.67 71.74 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.761 -0.654 . . . . 3.55 110.148 178.319 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 15.9 t60 -55.16 -49.72 71.13 Favored 'General case' 0 N--CA 1.453 -0.317 0 CA-C-N 115.904 -0.589 . . . . 0.17 110.503 177.149 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 58.1 tttm -64.04 -17.25 63.17 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.852 -0.613 . . . . 2.2 111.384 -174.865 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 25' ' ' ARG . . . . . 0.415 ' HG3' ' O ' ' A' ' 21' ' ' GLN . 82.6 mtt180 -61.21 -19.37 61.55 Favored 'General case' 0 CA--C 1.53 0.195 0 C-N-CA 120.994 -0.283 . . . . 3.16 111.225 175.747 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 74.8 p -72.77 -32.12 65.4 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 121.205 0.526 . . . . 0.35 110.412 176.372 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 75.8 m-70 -84.16 -57.18 3.29 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 121.485 0.659 . . . . 0.43 109.458 178.222 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 20.6 p -122.21 88.3 2.91 Favored 'General case' 0 N--CA 1.446 -0.64 0 CA-C-N 115.115 -0.948 . . . . 2.16 110.279 -179.488 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -84.65 -24.33 46.64 Favored Glycine 0 N--CA 1.449 -0.434 0 C-N-CA 120.616 -0.802 . . . . 4.55 111.526 179.498 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 31.6 mt-10 -81.55 -54.06 5.74 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-O 120.972 0.415 . . . . 8.01 110.431 179.324 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 17.8 ptpt -131.44 80.16 1.92 Allowed 'General case' 0 C--N 1.326 -0.431 0 CA-C-O 121.64 0.733 . . . . 8.09 110.478 179.087 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 32' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.32 -0.713 0 CA-C-N 115.936 -0.574 . . . . 6.2 . . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 99.5 mtt180 . . . . . 0 N--CA 1.481 1.098 0 CA-C-O 120.416 0.151 . . . . 4.45 110.864 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 92.4 Cg_endo -80.56 153.09 20.37 Favored 'Trans proline' 0 N--CA 1.457 -0.666 0 C-N-CA 122.147 1.898 . . . . 1.0 111.428 175.142 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 96.9 m-85 -106.26 147.9 28.58 Favored 'General case' 0 C--N 1.323 -0.575 0 N-CA-C 109.719 -0.474 . . . . 0.66 109.719 178.484 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 4' ' ' NLE . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 13.2 t -77.29 122.47 25.14 Favored 'General case' 0 N--CA 1.448 -0.533 0 CA-C-N 116.059 -0.519 . . . . 0.38 109.737 173.089 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 33.3 p -103.31 20.66 17.35 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-N 116.057 -0.519 . . . . 1.7 111.657 -176.374 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 7' ' ' TRP . . . . . . . . . . . . . 65.0 t90 -88.28 125.67 34.78 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 116.242 -0.436 . . . . 1.26 109.879 178.94 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 8' ' ' DPR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -97.34 17.82 58.44 Favored Glycine 0 N--CA 1.449 -0.44 0 N-CA-C 111.235 -0.746 . . . . 0.83 111.235 175.951 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 52.6 t -86.43 76.29 9.65 Favored 'General case' 0 N--CA 1.449 -0.515 0 N-CA-C 109.786 -0.45 . . . . 0.94 109.786 179.694 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -94.09 48.98 2.2 Favored Glycine 0 N--CA 1.45 -0.43 0 C-N-CA 120.895 -0.669 . . . . 0.43 113.353 -173.661 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 39.1 ttmt -76.63 135.81 39.17 Favored 'General case' 0 C--N 1.326 -0.418 0 N-CA-C 110.133 -0.321 . . . . 1.57 110.133 176.983 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 79.5 mtm180 -106.77 149.71 27.06 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 116.19 -0.459 . . . . 3.11 111.065 -179.027 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 79.8 m-85 -132.89 166.31 22.61 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 115.628 -0.715 . . . . 0.32 110.603 -175.051 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 20.4 m -105.6 -26.76 11.72 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 115.869 -0.605 . . . . 1.06 110.346 -179.258 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 77.6 mtp180 -120.97 146.44 46.66 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 116.176 -0.465 . . . . 3.2 110.19 179.233 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 17' ' ' SER . . . . . 0.406 ' O ' ' HG3' ' A' ' 21' ' ' GLN . 53.0 p -65.9 -33.24 75.38 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.953 -0.567 . . . . 1.25 110.544 179.846 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 6.4 m-20 -58.64 -37.51 76.09 Favored 'General case' 0 N--CA 1.465 0.324 0 CA-C-N 116.312 -0.404 . . . . 2.04 111.209 177.235 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 52.8 mt-10 -61.3 -51.69 67.82 Favored 'General case' 0 C--N 1.33 -0.271 0 N-CA-C 109.576 -0.528 . . . . 2.45 109.576 176.742 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 54.8 tp -65.16 -37.1 86.31 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.163 -0.926 . . . . 0.22 111.455 -177.96 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 21' ' ' GLN . . . . . 0.408 ' O ' ' HG3' ' A' ' 25' ' ' ARG . 96.4 mt-30 -62.12 -52.7 62.79 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.831 0.348 . . . . 1.2 110.663 178.677 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 48.1 ttt180 -60.04 -47.22 86.75 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.941 -0.572 . . . . 3.55 109.858 179.086 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 26.3 t60 -56.19 -49.23 74.65 Favored 'General case' 0 N--CA 1.452 -0.371 0 CA-C-N 115.808 -0.633 . . . . 0.17 110.96 178.849 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 4.2 tppp? -58.38 -26.77 63.57 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.387 -0.369 . . . . 2.2 111.308 -175.573 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 25' ' ' ARG . . . . . 0.408 ' HG3' ' O ' ' A' ' 21' ' ' GLN . 60.8 mtp180 -65.68 -17.63 64.75 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.107 -0.497 . . . . 3.16 111.933 179.946 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 79.8 p -73.3 -26.86 61.24 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 121.02 0.438 . . . . 0.35 110.203 177.364 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 86.6 m-70 -90.12 -63.73 1.24 Allowed 'General case' 0 N--CA 1.452 -0.328 0 CA-C-N 115.837 -0.62 . . . . 0.43 109.993 177.276 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 10.9 m 51.34 49.57 20.74 Favored 'General case' 0 CA--C 1.537 0.451 0 CA-C-O 121.811 0.815 . . . . 2.16 110.265 -174.599 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -90.93 -19.37 43.52 Favored Glycine 0 N--CA 1.449 -0.463 0 CA-C-N 115.529 -0.759 . . . . 4.55 112.059 -178.704 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 8.6 tp10 -75.99 -26.66 56.95 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-O 121.037 0.446 . . . . 8.01 110.031 179.644 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 39.0 ttpt -144.67 70.98 1.29 Allowed 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 121.531 0.681 . . . . 8.09 109.89 179.43 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 32' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.318 -0.767 0 CA-C-N 115.975 -0.557 . . . . 6.2 . . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 29.3 tpt180 . . . . . 0 N--CA 1.48 1.048 0 CA-C-O 120.59 0.233 . . . . 4.45 110.554 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 71.8 Cg_endo -84.13 90.72 0.87 Allowed 'Trans proline' 0 N--CA 1.452 -0.951 0 C-N-CA 122.323 2.015 . . . . 1.0 111.926 177.221 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 95.5 m-85 -67.81 139.31 56.59 Favored 'General case' 0 C--N 1.324 -0.517 0 N-CA-C 108.869 -0.789 . . . . 0.66 108.869 175.922 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 4' ' ' NLE . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 33.8 t -82.19 119.65 24.34 Favored 'General case' 0 N--CA 1.441 -0.877 0 N-CA-C 108.71 -0.848 . . . . 0.38 108.71 169.884 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 9.3 t -117.63 20.36 13.51 Favored 'General case' 0 C--N 1.317 -0.836 0 CA-C-O 121.476 0.655 . . . . 1.7 109.741 -178.287 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 7' ' ' TRP . . . . . . . . . . . . . 69.9 t90 -68.31 128.49 36.76 Favored 'General case' 0 N--CA 1.451 -0.395 0 CA-C-N 115.086 -0.961 . . . . 1.26 110.484 -179.555 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 8' ' ' DPR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -103.82 20.42 41.39 Favored Glycine 0 N--CA 1.45 -0.417 0 C-N-CA 120.959 -0.639 . . . . 0.83 111.55 178.531 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 51.8 t -95.69 135.26 37.6 Favored 'General case' 0 C--N 1.321 -0.635 0 N-CA-C 109.937 -0.394 . . . . 0.94 109.937 179.696 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -134.2 47.86 0.97 Allowed Glycine 0 N--CA 1.449 -0.445 0 C-N-CA 121.067 -0.587 . . . . 0.43 111.66 179.257 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 18.6 tptp -79.56 127.47 32.19 Favored 'General case' 0 C--N 1.325 -0.489 0 N-CA-C 110.356 -0.239 . . . . 1.57 110.356 -176.922 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 13' ' ' ARG . . . . . 0.419 HH11 ' HD2' ' A' ' 13' ' ' ARG . 52.6 mtt180 -107.3 145.97 32.11 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-O 121.116 0.484 . . . . 3.11 111.662 -176.992 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 66.0 m-85 -136.79 162.91 31.9 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 115.545 -0.752 . . . . 0.32 110.216 -176.772 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 11.3 m -106.07 -17.85 14.2 Favored 'General case' 0 C--N 1.32 -0.692 0 CA-C-N 116.088 -0.506 . . . . 1.06 110.02 177.539 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 96.8 mtt180 -121.4 139.27 53.67 Favored 'General case' 0 C--O 1.234 0.281 0 CA-C-N 115.863 -0.608 . . . . 3.2 110.429 179.496 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 33.2 t -68.81 -33.4 73.79 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.725 -0.67 . . . . 1.25 111.65 -175.127 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 4.3 p-10 -69.47 -27.83 65.57 Favored 'General case' 0 N--CA 1.464 0.255 0 C-N-CA 120.837 -0.345 . . . . 2.04 110.498 -179.706 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 11.6 mm-40 -68.48 -44.69 74.24 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.145 -0.479 . . . . 2.45 109.809 174.207 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 44.1 tp -61.54 -43.2 99.3 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.797 -0.638 . . . . 0.22 110.641 175.915 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 47.4 mt-30 -60.58 -50.79 72.1 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.432 -0.349 . . . . 1.2 110.729 178.672 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 25.6 tpt180 -53.91 -51.77 62.67 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.331 -0.395 . . . . 3.55 110.507 176.328 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 23.1 t60 -57.63 -48.19 80.13 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.872 -0.603 . . . . 0.17 111.328 179.688 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 27.5 tptp -60.26 -28.27 67.92 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-O 121.149 0.5 . . . . 2.2 111.087 -175.832 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 25' ' ' ARG . . . . . 0.416 ' HA ' HG22 ' A' ' 28' ' ' THR . 65.1 mtt180 -73.06 -6.16 43.72 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 115.986 -0.552 . . . . 3.16 111.817 -178.665 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 51.6 p -86.04 -22.54 27.19 Favored 'General case' 0 C--N 1.329 -0.292 0 C-N-CA 120.755 -0.378 . . . . 0.35 110.377 174.28 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 97.1 m-70 -81.3 -35.67 30.75 Favored 'General case' 0 C--O 1.233 0.191 0 N-CA-C 109.724 -0.472 . . . . 0.43 109.724 174.481 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 28' ' ' THR . . . . . 0.416 HG22 ' HA ' ' A' ' 25' ' ' ARG . 1.7 t -72.19 170.1 14.73 Favored 'General case' 0 N--CA 1.452 -0.331 0 CA-C-N 115.791 -0.64 . . . . 2.16 110.892 -177.62 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 158.06 -49.66 0.42 Allowed Glycine 0 N--CA 1.445 -0.706 0 N-CA-C 110.459 -1.056 . . . . 4.55 110.459 -176.198 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 15.1 mm-40 -88.17 54.61 3.13 Favored 'General case' 0 C--N 1.323 -0.586 0 N-CA-C 109.301 -0.629 . . . . 8.01 109.301 173.679 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 28.5 tptp -164.06 74.1 0.29 Allowed 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.538 -0.755 . . . . 8.09 109.499 -176.364 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 32' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.321 -0.639 0 CA-C-N 115.947 -0.57 . . . . 6.2 . . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 8.3 t . . . . . 0 N--CA 1.449 -0.479 0 N-CA-C 109.347 -0.612 . . . . 0.38 109.347 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 25.8 p -109.25 13.39 24.37 Favored 'General case' 0 C--N 1.32 -0.684 0 CA-C-N 116.257 -0.429 . . . . 1.7 111.364 -175.044 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 7' ' ' TRP . . . . . . . . . . . . . 73.9 t90 . . . . . 0 C--N 1.324 -0.505 0 CA-C-N 116.326 -0.397 . . . . 1.26 109.968 179.065 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.356 0 N-CA-C 111.026 -0.83 . . . . 0.83 111.026 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 53.1 t -82.89 66.1 8.35 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-O 121.237 0.542 . . . . 0.94 110.007 -179.485 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -82.97 58.89 5.03 Favored Glycine 0 N--CA 1.451 -0.351 0 CA-C-N 115.968 -0.56 . . . . 0.43 113.123 -176.002 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 61.1 tttp -87.03 128.63 35.09 Favored 'General case' 0 C--N 1.323 -0.546 0 N-CA-C 110.053 -0.351 . . . . 1.57 110.053 177.643 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 49.7 mtt180 -103.21 138.83 39.48 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 116.258 -0.428 . . . . 3.11 111.189 -175.46 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 86.6 m-85 -123.8 160.77 26.63 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 115.985 -0.552 . . . . 0.32 110.777 -177.844 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 10.5 m -101.22 -27.19 13.35 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 115.82 -0.627 . . . . 1.06 110.559 -177.145 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 16' ' ' ARG . . . . . 0.423 ' HB2' ' HG3' ' A' ' 19' ' ' GLU . 60.7 mtt180 -119.45 143.14 47.67 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 116.002 -0.545 . . . . 3.2 110.379 177.358 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 5.9 p -66.17 -27.73 68.23 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.633 -0.712 . . . . 1.25 111.479 -176.597 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 30.9 t70 -65.81 -34.72 78.82 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.85 0.357 . . . . 2.04 110.485 176.399 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . 0.423 ' HG3' ' HB2' ' A' ' 16' ' ' ARG . 59.4 mt-10 -64.68 -43.99 91.8 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.978 -0.556 . . . . 2.45 109.878 178.433 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 48.0 tp -68.21 -41.45 81.31 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.717 -0.674 . . . . 0.22 110.901 178.505 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 47.4 mt-30 -58.9 -49.34 78.17 Favored 'General case' 0 C--O 1.235 0.295 0 CA-C-O 121.099 0.476 . . . . 1.2 110.346 176.626 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 27.5 ttm180 -56.03 -48.76 75.37 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 115.289 -0.869 . . . . 3.55 109.96 177.822 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 40.1 t60 -60.65 -46.89 88.6 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 115.194 -0.912 . . . . 0.17 111.261 -179.908 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 57.6 tptt -56.47 -25.49 51.09 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.254 -0.43 . . . . 2.2 111.286 -177.481 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 93.2 mtt180 -60.29 -23.04 63.84 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.302 -0.408 . . . . 3.16 111.468 178.58 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 82.1 p -70.98 -37.57 72.74 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-O 120.68 0.276 . . . . 0.35 110.784 179.272 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 89.1 m-70 . . . . . 0 C--O 1.234 0.276 0 CA-C-N 116.279 -0.419 . . . . 0.43 110.428 -179.742 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 16.1 t . . . . . 0 N--CA 1.448 -0.531 0 N-CA-C 109.828 -0.434 . . . . 0.38 109.828 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 35.2 p -133.78 21.37 3.88 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 116.151 -0.477 . . . . 1.7 111.166 -177.417 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 7' ' ' TRP . . . . . . . . . . . . . 24.2 t90 . . . . . 0 C--N 1.325 -0.457 0 CA-C-N 116.295 -0.412 . . . . 1.26 110.134 -177.217 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.426 0 N-CA-C 110.985 -0.846 . . . . 0.83 110.985 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 39.7 t -84.39 130.33 34.79 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 115.161 -0.519 . . . . 0.94 110.202 -179.078 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -138.31 57.9 0.63 Allowed Glycine 0 N--CA 1.45 -0.404 0 C-N-CA 120.796 -0.716 . . . . 0.43 112.42 -177.537 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 46.1 tttp -88.36 136.57 32.92 Favored 'General case' 0 C--N 1.323 -0.568 0 N-CA-C 110.13 -0.322 . . . . 1.57 110.13 178.785 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 54.1 mtp180 -101.9 151.26 22.31 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-O 121.107 0.48 . . . . 3.11 111.12 -178.432 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 70.4 m-85 -137.79 175.54 9.5 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 115.626 -0.715 . . . . 0.32 110.491 -176.273 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 3.0 p -119.54 -22.19 7.07 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 116.107 -0.497 . . . . 1.06 111.205 -178.987 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 21.3 mtp180 -126.89 146.67 50.21 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 116.14 -0.482 . . . . 3.2 110.221 174.803 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 17' ' ' SER . . . . . 0.493 ' O ' ' HG3' ' A' ' 21' ' ' GLN . 27.8 p -62.69 -25.74 68.31 Favored 'General case' 0 C--O 1.223 -0.334 0 CA-C-N 115.847 -0.615 . . . . 1.25 110.222 179.035 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 7.8 m-20 -59.64 -42.15 92.08 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.918 -0.583 . . . . 2.04 110.363 177.001 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 49.1 mt-10 -63.13 -45.29 92.65 Favored 'General case' 0 N--CA 1.451 -0.412 0 CA-C-N 115.454 -0.794 . . . . 2.45 109.79 177.895 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 58.7 tp -65.5 -37.35 86.55 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.477 -0.783 . . . . 0.22 111.038 -179.922 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 21' ' ' GLN . . . . . 0.493 ' HG3' ' O ' ' A' ' 17' ' ' SER . 59.8 mt-30 -65.48 -53.5 41.74 Favored 'General case' 0 C--O 1.234 0.28 0 CA-C-O 120.667 0.27 . . . . 1.2 111.024 179.56 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 27.1 ptt180 -62.2 -38.61 89.78 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.903 0.382 . . . . 3.55 110.245 -179.122 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 32.6 t60 -64.14 -49.98 69.99 Favored 'General case' 0 N--CA 1.45 -0.455 0 CA-C-N 115.841 -0.618 . . . . 0.17 110.636 178.155 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 38.1 ttpt -59.76 -22.07 61.6 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.346 -0.388 . . . . 2.2 111.373 -175.452 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 25' ' ' ARG . . . . . 0.45 ' HG3' ' O ' ' A' ' 21' ' ' GLN . 74.1 mtt180 -61.52 -19.58 62.26 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.463 -0.335 . . . . 3.16 111.492 178.221 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 75.8 p -72.4 -34.82 68.18 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-O 121.105 0.479 . . . . 0.35 110.482 177.066 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 80.2 m-70 . . . . . 0 C--N 1.326 -0.432 0 CA-C-N 115.926 -0.579 . . . . 0.43 109.974 178.948 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 51.6 t . . . . . 0 N--CA 1.449 -0.485 0 N-CA-C 109.998 -0.371 . . . . 0.38 109.998 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 20.7 p -113.88 10.93 17.78 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-N 116.06 -0.518 . . . . 1.7 111.354 -177.008 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 7' ' ' TRP . . . . . . . . . . . . . 75.4 t90 . . . . . 0 C--N 1.323 -0.563 0 CA-C-N 116.201 -0.454 . . . . 1.26 110.28 -177.946 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.449 -0.486 0 N-CA-C 111.315 -0.714 . . . . 0.83 111.315 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 52.8 t -84.64 72.27 10.71 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-O 121.152 0.501 . . . . 0.94 110.232 -177.748 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -87.1 63.78 3.96 Favored Glycine 0 N--CA 1.45 -0.401 0 C-N-CA 121.152 -0.547 . . . . 0.43 112.697 -177.771 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 86.2 tttt -93.55 129.02 39.93 Favored 'General case' 0 C--N 1.325 -0.467 0 N-CA-C 109.833 -0.432 . . . . 1.57 109.833 178.265 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 81.5 mtm180 -99.11 148.41 24.08 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-O 120.945 0.402 . . . . 3.11 111.563 -175.498 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 94.4 m-85 -135.18 160.54 38.05 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.789 -0.641 . . . . 0.32 110.436 -178.229 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 5.8 m -111.08 -4.92 14.89 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-O 121.447 0.642 . . . . 1.06 110.173 178.906 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 73.5 mtp180 -125.99 135.48 51.87 Favored 'General case' 0 C--O 1.238 0.452 0 CA-C-N 115.722 -0.672 . . . . 3.2 110.414 178.121 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 17' ' ' SER . . . . . 0.403 ' O ' ' HG3' ' A' ' 21' ' ' GLN . 55.9 p -65.71 -38.99 90.73 Favored 'General case' 0 C--O 1.233 0.235 0 CA-C-N 115.644 -0.707 . . . . 1.25 110.819 -178.765 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 36.6 t70 -67.28 -30.93 70.94 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.974 -0.557 . . . . 2.04 110.893 179.171 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 56.1 mm-40 -70.46 -36.33 73.85 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.424 -0.353 . . . . 2.45 110.984 177.816 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 52.9 tp -66.79 -41.32 87.8 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.459 -0.337 . . . . 0.22 110.284 173.886 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 21' ' ' GLN . . . . . 0.459 ' O ' ' HG3' ' A' ' 25' ' ' ARG . 26.5 mt-30 -59.6 -51.31 70.35 Favored 'General case' 0 C--O 1.235 0.301 0 CA-C-O 121.273 0.558 . . . . 1.2 109.998 175.53 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 77.4 ttt180 -52.23 -49.29 64.28 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 114.736 -1.12 . . . . 3.55 110.432 177.138 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 43.0 t60 -58.08 -50.59 72.94 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 115.509 -0.769 . . . . 0.17 111.017 178.619 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 4.5 tppp? -58.26 -24.2 58.61 Favored 'General case' 0 C--O 1.234 0.269 0 CA-C-N 116.375 -0.375 . . . . 2.2 111.515 -175.82 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 25' ' ' ARG . . . . . 0.459 ' HG3' ' O ' ' A' ' 21' ' ' GLN . 52.9 mtp180 -57.76 -24.81 58.92 Favored 'General case' 0 C--O 1.233 0.214 0 CA-C-O 120.738 0.304 . . . . 3.16 111.451 179.156 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 69.7 p -72.24 -34.74 68.52 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.82 0.343 . . . . 0.35 110.806 179.225 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 83.3 m-70 . . . . . 0 C--O 1.233 0.213 0 N-CA-C 109.73 -0.47 . . . . 0.43 109.73 177.982 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 11.7 t . . . . . 0 N--CA 1.45 -0.463 0 N-CA-C 109.49 -0.559 . . . . 0.38 109.49 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 35.7 p -96.27 22.72 7.39 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-N 116.193 -0.458 . . . . 1.7 111.505 -177.066 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 7' ' ' TRP . . . . . . . . . . . . . 66.4 t90 . . . . . 0 C--N 1.327 -0.39 0 CA-C-N 116.324 -0.398 . . . . 1.26 110.157 179.811 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.403 0 N-CA-C 110.698 -0.961 . . . . 0.83 110.698 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 43.7 t -84.12 67.32 9.67 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 115.163 -0.519 . . . . 0.94 110.232 -178.97 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -81.36 59.4 4.8 Favored Glycine 0 N--CA 1.45 -0.424 0 C-N-CA 121.125 -0.559 . . . . 0.43 112.684 -178.945 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 51.8 tttp -84.63 138.65 32.57 Favored 'General case' 0 C--N 1.322 -0.597 0 N-CA-C 110.109 -0.33 . . . . 1.57 110.109 177.02 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 84.9 mtm180 -109.16 144.57 37.06 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 116.053 -0.521 . . . . 3.11 111.247 -176.971 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 65.6 m-85 -130.81 -179.12 5.12 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 115.463 -0.789 . . . . 0.32 109.482 -178.144 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 19.4 p -125.34 -0.45 7.64 Favored 'General case' 0 C--N 1.319 -0.747 0 CA-C-O 121.058 0.456 . . . . 1.06 110.607 176.89 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 16' ' ' ARG . . . . . 0.421 ' HB3' ' OD2' ' A' ' 18' ' ' ASP . 99.1 mtt180 -137.08 134.84 36.92 Favored 'General case' 0 C--O 1.235 0.316 0 CA-C-N 116.051 -0.522 . . . . 3.2 110.184 179.38 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 9.8 t -70.15 -28.35 65.27 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.93 -0.577 . . . . 1.25 110.252 -176.269 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 18' ' ' ASP . . . . . 0.421 ' OD2' ' HB3' ' A' ' 16' ' ' ARG . 8.7 p-10 -72.09 -31.48 66.12 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.219 -0.446 . . . . 2.04 110.522 177.953 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 18.4 mm-40 -71.01 -37.63 72.66 Favored 'General case' 0 CA--C 1.515 -0.377 0 CA-C-N 116.319 -0.4 . . . . 2.45 110.308 174.945 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 57.0 tp -63.05 -43.7 97.91 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 115.822 -0.627 . . . . 0.22 110.28 174.387 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 94.1 mt-30 -60.84 -47.29 87.05 Favored 'General case' 0 C--O 1.237 0.445 0 CA-C-O 120.884 0.374 . . . . 1.2 110.771 176.739 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 54.7 ttp85 -58.39 -45.1 89.0 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.863 -0.608 . . . . 3.55 110.045 177.639 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 35.1 t60 -59.18 -46.75 87.6 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.655 -0.702 . . . . 0.17 110.712 177.753 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 31.8 mmtp -55.93 -25.59 44.03 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.432 -0.349 . . . . 2.2 111.824 -178.527 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 43.1 mtp180 -61.35 -18.98 61.27 Favored 'General case' 0 C--N 1.328 -0.339 0 N-CA-C 111.897 0.332 . . . . 3.16 111.897 179.787 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 75.9 p -76.74 -30.54 56.64 Favored 'General case' 0 C--O 1.234 0.27 0 CA-C-O 120.943 0.401 . . . . 0.35 110.824 177.258 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 84.6 m-70 . . . . . 0 C--N 1.33 -0.261 0 CA-C-O 121.305 0.574 . . . . 0.43 109.758 177.164 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 10.5 t . . . . . 0 N--CA 1.447 -0.61 0 N-CA-C 109.597 -0.52 . . . . 0.38 109.597 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 16.5 p -118.71 26.0 9.86 Favored 'General case' 0 C--N 1.321 -0.631 0 CA-C-O 120.964 0.411 . . . . 1.7 111.467 -176.503 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 7' ' ' TRP . . . . . . . . . . . . . 62.1 t90 . . . . . 0 C--N 1.323 -0.548 0 CA-C-N 116.249 -0.432 . . . . 1.26 109.851 178.711 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.447 -0.576 0 N-CA-C 111.206 -0.757 . . . . 0.83 111.206 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 42.6 t -74.06 98.65 3.14 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 115.437 -0.382 . . . . 0.94 109.997 -179.906 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -99.9 45.98 1.44 Allowed Glycine 0 N--CA 1.449 -0.436 0 C-N-CA 121.013 -0.613 . . . . 0.43 112.761 -176.625 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 26.9 tptp -72.24 127.73 33.47 Favored 'General case' 0 C--N 1.323 -0.545 0 N-CA-C 110.09 -0.337 . . . . 1.57 110.09 178.428 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 52.0 mtp180 -103.97 152.06 22.44 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 116.357 -0.383 . . . . 3.11 111.075 -177.899 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 14' ' ' PHE . . . . . 0.441 ' HZ ' ' CG ' ' A' ' 23' ' ' HIS . 51.4 m-85 -139.63 155.53 47.37 Favored 'General case' 0 C--O 1.237 0.416 0 CA-C-N 116.081 -0.509 . . . . 0.32 110.803 -176.82 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 16.6 p -102.2 -15.57 16.62 Favored 'General case' 0 C--N 1.321 -0.635 0 CA-C-N 115.734 -0.666 . . . . 1.06 110.194 175.818 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 74.7 mtp180 -124.5 142.51 51.27 Favored 'General case' 0 C--O 1.237 0.432 0 CA-C-N 115.798 -0.637 . . . . 3.2 111.407 -179.937 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 23.0 p -71.2 -29.53 65.27 Favored 'General case' 0 N--CA 1.454 -0.266 0 CA-C-N 115.614 -0.721 . . . . 1.25 110.419 -179.336 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 14.8 m-20 -59.96 -40.79 90.23 Favored 'General case' 0 CA--C 1.517 -0.291 0 CA-C-N 115.958 -0.565 . . . . 2.04 110.169 175.62 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 22.6 mm-40 -71.23 -38.03 72.0 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.7 -0.682 . . . . 2.45 111.205 179.812 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 39.9 tp -62.71 -46.49 87.88 Favored 'General case' 0 C--N 1.328 -0.337 0 C-N-CA 121.023 -0.271 . . . . 0.22 110.602 176.185 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 21' ' ' GLN . . . . . 0.469 ' O ' ' HG3' ' A' ' 25' ' ' ARG . 79.8 mt-30 -62.07 -50.56 71.5 Favored 'General case' 0 C--O 1.234 0.255 0 CA-C-O 121.04 0.448 . . . . 1.2 110.217 178.041 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 61.1 ttt180 -51.19 -57.7 8.08 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.258 -0.883 . . . . 3.55 110.568 177.784 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 23' ' ' HIS . . . . . 0.441 ' CG ' ' HZ ' ' A' ' 14' ' ' PHE . 17.6 t60 -57.41 -46.1 83.85 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 115.757 -0.656 . . . . 0.17 110.976 -179.438 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 5.1 tppp? -56.28 -31.13 63.33 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.473 -0.33 . . . . 2.2 110.86 -176.307 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 25' ' ' ARG . . . . . 0.469 ' HG3' ' O ' ' A' ' 21' ' ' GLN . 90.2 mtt180 -65.3 -15.52 62.61 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.014 -0.539 . . . . 3.16 112.097 -178.528 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 66.8 p -72.35 -31.93 66.04 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 121.038 0.447 . . . . 0.35 109.896 176.619 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 86.3 m-70 . . . . . 0 N--CA 1.454 -0.248 0 N-CA-C 109.413 -0.588 . . . . 0.43 109.413 175.917 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 24.5 t . . . . . 0 N--CA 1.449 -0.511 0 CA-C-O 121.056 0.455 . . . . 0.38 109.81 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 9.9 t -110.16 16.79 21.56 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 116.069 -0.514 . . . . 1.7 110.744 -177.204 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 7' ' ' TRP . . . . . . . . . . . . . 64.9 t90 . . . . . 0 C--N 1.324 -0.511 0 N-CA-C 109.796 -0.446 . . . . 1.26 109.796 179.426 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.448 -0.526 0 N-CA-C 111.106 -0.798 . . . . 0.83 111.106 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 51.5 t -90.08 67.17 6.94 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-O 121.375 0.607 . . . . 0.94 110.291 -179.479 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -84.56 60.87 4.77 Favored Glycine 0 N--CA 1.449 -0.483 0 CA-C-N 115.896 -0.593 . . . . 0.43 112.726 -176.987 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 62.5 tttp -87.28 136.88 32.76 Favored 'General case' 0 C--N 1.323 -0.558 0 N-CA-C 109.964 -0.384 . . . . 1.57 109.964 177.019 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 85.2 mtt180 -99.9 147.29 25.7 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 116.205 -0.452 . . . . 3.11 111.758 -174.641 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 80.1 m-85 -138.64 154.39 48.65 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 115.608 -0.724 . . . . 0.32 110.119 -179.962 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 13.8 m -109.72 -10.86 14.78 Favored 'General case' 0 C--N 1.318 -0.768 0 CA-C-O 121.457 0.646 . . . . 1.06 109.849 176.041 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 98.4 mtt180 -120.57 135.05 55.2 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.756 -0.656 . . . . 3.2 110.24 178.441 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 17' ' ' SER . . . . . 0.523 ' O ' ' HG3' ' A' ' 21' ' ' GLN . 29.8 p -67.85 -34.95 77.69 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.21 -0.45 . . . . 1.25 110.271 -179.966 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 18' ' ' ASP . . . . . 0.423 ' O ' ' HG3' ' A' ' 22' ' ' ARG . 27.5 t70 -60.68 -40.77 93.36 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.744 -0.662 . . . . 2.04 110.53 177.002 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 30.8 mm-40 -61.07 -45.03 96.39 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.747 -0.66 . . . . 2.45 110.535 176.5 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 54.3 tp -64.67 -36.74 85.24 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.802 -0.636 . . . . 0.22 110.937 178.65 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 21' ' ' GLN . . . . . 0.523 ' HG3' ' O ' ' A' ' 17' ' ' SER . 58.3 mt-30 -63.7 -49.69 72.11 Favored 'General case' 0 C--O 1.237 0.405 0 CA-C-O 120.922 0.392 . . . . 1.2 110.321 177.542 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 22' ' ' ARG . . . . . 0.423 ' HG3' ' O ' ' A' ' 18' ' ' ASP . 96.0 mtt180 -54.66 -50.0 69.25 Favored 'General case' 0 C--N 1.332 -0.156 0 CA-C-N 115.787 -0.642 . . . . 3.55 109.84 176.601 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 38.7 t60 -58.64 -47.29 84.89 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 115.387 -0.824 . . . . 0.17 111.031 -179.816 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 50.6 tptt -56.06 -25.92 47.16 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 116.167 -0.47 . . . . 2.2 111.518 -178.357 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 25' ' ' ARG . . . . . 0.41 ' HG3' ' O ' ' A' ' 21' ' ' GLN . 54.8 mtm180 -63.99 -16.31 61.31 Favored 'General case' 0 C--N 1.329 -0.32 0 N-CA-C 111.965 0.358 . . . . 3.16 111.965 179.332 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 80.7 p -77.31 -28.52 53.26 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 121.087 0.47 . . . . 0.35 110.495 176.857 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 86.3 m-70 . . . . . 0 C--N 1.327 -0.398 0 CA-C-N 115.948 -0.569 . . . . 0.43 110.196 177.769 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 5' ' ' CYS . . . . . 0.518 ' O ' ' HA2' ' A' ' 11' ' ' GLY . 14.9 t . . . . . 0 N--CA 1.447 -0.602 0 N-CA-C 109.4 -0.592 . . . . 0.38 109.4 . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 11.7 t -131.98 33.07 3.97 Favored 'General case' 0 C--N 1.318 -0.769 0 CA-C-O 121.849 0.833 . . . . 1.7 109.764 179.988 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 7' ' ' TRP . . . . . . . . . . . . . 66.2 t90 . . . . . 0 C--N 1.329 -0.321 0 CA-C-N 115.351 -0.84 . . . . 1.26 110.232 179.954 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.448 -0.53 0 N-CA-C 111.657 -0.577 . . . . 0.83 111.657 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 42.5 t -88.73 143.81 26.67 Favored 'General case' 0 C--N 1.322 -0.621 0 N-CA-C 110.095 -0.335 . . . . 0.94 110.095 -179.531 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 11' ' ' GLY . . . . . 0.518 ' HA2' ' O ' ' A' ' 5' ' ' CYS . . . -149.41 44.52 0.73 Allowed Glycine 0 N--CA 1.448 -0.528 0 C-N-CA 120.867 -0.682 . . . . 0.43 112.314 -179.062 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 83.0 tttt -75.48 138.42 41.58 Favored 'General case' 0 C--N 1.327 -0.372 0 N-CA-C 110.0 -0.37 . . . . 1.57 110.0 179.677 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 56.9 mtt180 -110.14 147.06 34.4 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 116.119 -0.491 . . . . 3.11 111.341 -173.544 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 53.3 m-85 -137.45 175.86 9.22 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 115.529 -0.759 . . . . 0.32 109.644 -178.149 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 3.9 m -123.87 0.1 8.56 Favored 'General case' 0 C--N 1.32 -0.687 0 CA-C-O 121.62 0.724 . . . . 1.06 110.005 175.716 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 16' ' ' ARG . . . . . 0.435 ' HB3' ' OD2' ' A' ' 18' ' ' ASP . 21.1 mmm180 -131.25 136.19 48.0 Favored 'General case' 0 C--O 1.238 0.47 0 CA-C-N 115.58 -0.736 . . . . 3.2 110.372 178.947 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 17' ' ' SER . . . . . 0.405 ' O ' ' HG3' ' A' ' 21' ' ' GLN . 9.8 t -66.87 -29.97 70.01 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.545 -0.752 . . . . 1.25 110.299 -177.909 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 18' ' ' ASP . . . . . 0.435 ' OD2' ' HB3' ' A' ' 16' ' ' ARG . 4.8 p-10 -67.41 -34.19 76.73 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.374 -0.375 . . . . 2.04 110.972 178.196 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 50.8 mt-10 -68.05 -46.19 71.8 Favored 'General case' 0 CA--C 1.516 -0.362 0 N-CA-C 109.753 -0.462 . . . . 2.45 109.753 176.329 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 54.1 tp -61.32 -43.62 98.57 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.606 -0.724 . . . . 0.22 110.889 179.409 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 21' ' ' GLN . . . . . 0.425 ' O ' ' HG3' ' A' ' 25' ' ' ARG . 48.2 mt-30 -62.5 -49.32 75.84 Favored 'General case' 0 C--O 1.235 0.34 0 CA-C-N 116.481 -0.327 . . . . 1.2 110.936 179.438 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 22' ' ' ARG . . . . . 0.503 ' HG3' ' NH2' ' A' ' 25' ' ' ARG . 77.1 ttt180 -57.98 -45.76 86.25 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 116.244 -0.434 . . . . 3.55 109.993 177.82 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 31.4 t60 -57.26 -46.85 82.66 Favored 'General case' 0 N--CA 1.451 -0.42 0 CA-C-N 115.601 -0.727 . . . . 0.17 110.691 178.115 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 31.1 mmtp -56.78 -28.47 61.37 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.757 -0.201 . . . . 2.2 111.534 -179.511 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 25' ' ' ARG . . . . . 0.503 ' NH2' ' HG3' ' A' ' 22' ' ' ARG . 16.7 mtm180 -65.89 -12.48 54.87 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.539 -0.3 . . . . 3.16 111.509 -178.939 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 71.4 p -77.8 -38.32 46.79 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 120.904 0.383 . . . . 0.35 110.05 174.911 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 88.7 m-70 . . . . . 0 CA--C 1.518 -0.263 0 N-CA-C 109.502 -0.555 . . . . 0.43 109.502 178.826 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 16.4 t . . . . . 0 N--CA 1.452 -0.343 0 CA-C-O 120.795 0.331 . . . . 0.38 110.386 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 37.4 p -126.19 20.49 7.49 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 115.89 -0.596 . . . . 1.7 111.128 -176.682 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 7' ' ' TRP . . . . . . . . . . . . . 56.9 t90 . . . . . 0 C--N 1.327 -0.388 0 CA-C-N 116.194 -0.457 . . . . 1.26 110.304 -178.525 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.449 -0.486 0 N-CA-C 111.194 -0.763 . . . . 0.83 111.194 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 45.1 t -76.3 140.29 41.45 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 115.289 -0.456 . . . . 0.94 109.993 -179.041 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -147.94 71.12 0.32 Allowed Glycine 0 N--CA 1.446 -0.675 0 C-N-CA 120.711 -0.757 . . . . 0.43 112.467 -175.863 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 24.1 ttmm -109.27 136.75 48.21 Favored 'General case' 0 C--N 1.323 -0.579 0 N-CA-C 109.734 -0.469 . . . . 1.57 109.734 176.914 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 19.6 mtp180 -103.59 148.6 25.8 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 121.045 0.45 . . . . 3.11 111.745 -176.031 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 68.2 m-85 -138.63 163.45 32.04 Favored 'General case' 0 C--O 1.236 0.377 0 CA-C-N 115.591 -0.731 . . . . 0.32 110.249 -178.579 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 17.6 p -109.73 4.1 21.54 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-O 121.163 0.506 . . . . 1.06 110.544 177.918 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 98.9 mtt180 -135.14 136.93 42.29 Favored 'General case' 0 C--O 1.238 0.462 0 CA-C-N 115.813 -0.63 . . . . 3.2 110.113 179.199 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 17' ' ' SER . . . . . 0.451 ' O ' ' HG3' ' A' ' 21' ' ' GLN . 23.3 t -64.38 -37.61 88.13 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 115.88 -0.6 . . . . 1.25 109.655 177.518 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 16.2 t70 -63.54 -37.6 87.95 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 115.884 -0.598 . . . . 2.04 111.007 177.415 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 69.3 mm-40 -64.74 -44.15 91.06 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.317 -0.401 . . . . 2.45 110.476 176.91 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 37.9 tp -62.06 -45.06 95.21 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.841 -0.618 . . . . 0.22 110.843 177.693 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 21' ' ' GLN . . . . . 0.451 ' HG3' ' O ' ' A' ' 17' ' ' SER . 56.2 mt-30 -62.17 -46.93 86.79 Favored 'General case' 0 C--O 1.237 0.43 0 CA-C-O 120.862 0.363 . . . . 1.2 110.658 179.778 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 47.9 ttt180 -56.86 -50.67 71.74 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.761 -0.654 . . . . 3.55 110.148 178.319 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 15.9 t60 -55.16 -49.72 71.13 Favored 'General case' 0 N--CA 1.453 -0.317 0 CA-C-N 115.904 -0.589 . . . . 0.17 110.503 177.149 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 58.1 tttm -64.04 -17.25 63.17 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.852 -0.613 . . . . 2.2 111.384 -174.865 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 25' ' ' ARG . . . . . 0.415 ' HG3' ' O ' ' A' ' 21' ' ' GLN . 82.6 mtt180 -61.21 -19.37 61.55 Favored 'General case' 0 CA--C 1.53 0.195 0 C-N-CA 120.994 -0.283 . . . . 3.16 111.225 175.747 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 74.8 p -72.77 -32.12 65.4 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 121.205 0.526 . . . . 0.35 110.412 176.372 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 75.8 m-70 . . . . . 0 C--N 1.328 -0.349 0 CA-C-O 121.485 0.659 . . . . 0.43 109.458 178.222 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 13.2 t . . . . . 0 N--CA 1.448 -0.533 0 N-CA-C 109.737 -0.468 . . . . 0.38 109.737 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 33.3 p -103.31 20.66 17.35 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-N 116.057 -0.519 . . . . 1.7 111.657 -176.374 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 7' ' ' TRP . . . . . . . . . . . . . 65.0 t90 . . . . . 0 C--N 1.326 -0.453 0 CA-C-N 116.242 -0.436 . . . . 1.26 109.879 178.94 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.449 -0.44 0 N-CA-C 111.235 -0.746 . . . . 0.83 111.235 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 52.6 t -86.43 76.29 9.65 Favored 'General case' 0 N--CA 1.449 -0.515 0 N-CA-C 109.786 -0.45 . . . . 0.94 109.786 179.694 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -94.09 48.98 2.2 Favored Glycine 0 N--CA 1.45 -0.43 0 C-N-CA 120.895 -0.669 . . . . 0.43 113.353 -173.661 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 39.1 ttmt -76.63 135.81 39.17 Favored 'General case' 0 C--N 1.326 -0.418 0 N-CA-C 110.133 -0.321 . . . . 1.57 110.133 176.983 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 79.5 mtm180 -106.77 149.71 27.06 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 116.19 -0.459 . . . . 3.11 111.065 -179.027 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 79.8 m-85 -132.89 166.31 22.61 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 115.628 -0.715 . . . . 0.32 110.603 -175.051 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 20.4 m -105.6 -26.76 11.72 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 115.869 -0.605 . . . . 1.06 110.346 -179.258 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 77.6 mtp180 -120.97 146.44 46.66 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 116.176 -0.465 . . . . 3.2 110.19 179.233 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 17' ' ' SER . . . . . 0.406 ' O ' ' HG3' ' A' ' 21' ' ' GLN . 53.0 p -65.9 -33.24 75.38 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.953 -0.567 . . . . 1.25 110.544 179.846 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 6.4 m-20 -58.64 -37.51 76.09 Favored 'General case' 0 N--CA 1.465 0.324 0 CA-C-N 116.312 -0.404 . . . . 2.04 111.209 177.235 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 52.8 mt-10 -61.3 -51.69 67.82 Favored 'General case' 0 C--N 1.33 -0.271 0 N-CA-C 109.576 -0.528 . . . . 2.45 109.576 176.742 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 54.8 tp -65.16 -37.1 86.31 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.163 -0.926 . . . . 0.22 111.455 -177.96 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 21' ' ' GLN . . . . . 0.408 ' O ' ' HG3' ' A' ' 25' ' ' ARG . 96.4 mt-30 -62.12 -52.7 62.79 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.831 0.348 . . . . 1.2 110.663 178.677 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 48.1 ttt180 -60.04 -47.22 86.75 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.941 -0.572 . . . . 3.55 109.858 179.086 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 26.3 t60 -56.19 -49.23 74.65 Favored 'General case' 0 N--CA 1.452 -0.371 0 CA-C-N 115.808 -0.633 . . . . 0.17 110.96 178.849 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 4.2 tppp? -58.38 -26.77 63.57 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.387 -0.369 . . . . 2.2 111.308 -175.573 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 25' ' ' ARG . . . . . 0.408 ' HG3' ' O ' ' A' ' 21' ' ' GLN . 60.8 mtp180 -65.68 -17.63 64.75 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.107 -0.497 . . . . 3.16 111.933 179.946 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 79.8 p -73.3 -26.86 61.24 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 121.02 0.438 . . . . 0.35 110.203 177.364 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 86.6 m-70 . . . . . 0 N--CA 1.452 -0.328 0 CA-C-N 115.837 -0.62 . . . . 0.43 109.993 177.276 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 33.8 t . . . . . 0 N--CA 1.441 -0.877 0 N-CA-C 108.71 -0.848 . . . . 0.38 108.71 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 9.3 t -117.63 20.36 13.51 Favored 'General case' 0 C--N 1.317 -0.836 0 CA-C-O 121.476 0.655 . . . . 1.7 109.741 -178.287 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 7' ' ' TRP . . . . . . . . . . . . . 69.9 t90 . . . . . 0 N--CA 1.451 -0.395 0 CA-C-N 115.086 -0.961 . . . . 1.26 110.484 -179.555 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.417 0 N-CA-C 111.55 -0.62 . . . . 0.83 111.55 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 51.8 t -95.69 135.26 37.6 Favored 'General case' 0 C--N 1.321 -0.635 0 N-CA-C 109.937 -0.394 . . . . 0.94 109.937 179.696 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -134.2 47.86 0.97 Allowed Glycine 0 N--CA 1.449 -0.445 0 C-N-CA 121.067 -0.587 . . . . 0.43 111.66 179.257 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 18.6 tptp -79.56 127.47 32.19 Favored 'General case' 0 C--N 1.325 -0.489 0 N-CA-C 110.356 -0.239 . . . . 1.57 110.356 -176.922 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 13' ' ' ARG . . . . . 0.419 HH11 ' HD2' ' A' ' 13' ' ' ARG . 52.6 mtt180 -107.3 145.97 32.11 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-O 121.116 0.484 . . . . 3.11 111.662 -176.992 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 66.0 m-85 -136.79 162.91 31.9 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 115.545 -0.752 . . . . 0.32 110.216 -176.772 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 11.3 m -106.07 -17.85 14.2 Favored 'General case' 0 C--N 1.32 -0.692 0 CA-C-N 116.088 -0.506 . . . . 1.06 110.02 177.539 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 96.8 mtt180 -121.4 139.27 53.67 Favored 'General case' 0 C--O 1.234 0.281 0 CA-C-N 115.863 -0.608 . . . . 3.2 110.429 179.496 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 33.2 t -68.81 -33.4 73.79 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.725 -0.67 . . . . 1.25 111.65 -175.127 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 4.3 p-10 -69.47 -27.83 65.57 Favored 'General case' 0 N--CA 1.464 0.255 0 C-N-CA 120.837 -0.345 . . . . 2.04 110.498 -179.706 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 11.6 mm-40 -68.48 -44.69 74.24 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.145 -0.479 . . . . 2.45 109.809 174.207 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 44.1 tp -61.54 -43.2 99.3 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.797 -0.638 . . . . 0.22 110.641 175.915 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 47.4 mt-30 -60.58 -50.79 72.1 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.432 -0.349 . . . . 1.2 110.729 178.672 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 25.6 tpt180 -53.91 -51.77 62.67 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.331 -0.395 . . . . 3.55 110.507 176.328 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 23.1 t60 -57.63 -48.19 80.13 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.872 -0.603 . . . . 0.17 111.328 179.688 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 27.5 tptp -60.26 -28.27 67.92 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-O 121.149 0.5 . . . . 2.2 111.087 -175.832 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 65.1 mtt180 -73.06 -6.16 43.72 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 115.986 -0.552 . . . . 3.16 111.817 -178.665 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 51.6 p -86.04 -22.54 27.19 Favored 'General case' 0 C--N 1.329 -0.292 0 C-N-CA 120.755 -0.378 . . . . 0.35 110.377 174.28 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 97.1 m-70 . . . . . 0 C--O 1.233 0.191 0 N-CA-C 109.724 -0.472 . . . . 0.43 109.724 174.481 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 30.2 tpt180 . . . . . 0 N--CA 1.48 1.027 0 N-CA-C 110.097 -0.334 . . . . 4.45 110.097 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 35.5 Cg_exo -61.55 101.21 0.2 Allowed 'Trans proline' 0 C--N 1.342 0.219 0 C-N-CA 122.59 2.193 . . . . 1.0 112.018 176.714 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 87.7 m-85 -79.99 84.72 5.69 Favored 'General case' 0 C--N 1.325 -0.498 0 N-CA-C 109.475 -0.565 . . . . 0.66 109.475 177.588 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' NLE . . . . . 0.413 ' HA ' ' HA ' ' A' ' 13' ' ' ARG . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 8.3 t -72.19 127.09 31.48 Favored 'General case' 0 N--CA 1.449 -0.479 0 N-CA-C 109.347 -0.612 . . . . 0.38 109.347 171.636 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 25.8 p -109.25 13.39 24.37 Favored 'General case' 0 C--N 1.32 -0.684 0 CA-C-N 116.257 -0.429 . . . . 1.7 111.364 -175.044 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' TRP . . . . . . . . . . . . . 73.9 t90 -74.76 126.16 30.29 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 116.326 -0.397 . . . . 1.26 109.968 179.065 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' DPR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -108.97 16.43 33.08 Favored Glycine 0 N--CA 1.451 -0.356 0 N-CA-C 111.026 -0.83 . . . . 0.83 111.026 175.812 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 53.1 t -82.89 66.1 8.35 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-O 121.237 0.542 . . . . 0.94 110.007 -179.485 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -82.97 58.89 5.03 Favored Glycine 0 N--CA 1.451 -0.351 0 CA-C-N 115.968 -0.56 . . . . 0.43 113.123 -176.002 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 61.1 tttp -87.03 128.63 35.09 Favored 'General case' 0 C--N 1.323 -0.546 0 N-CA-C 110.053 -0.351 . . . . 1.57 110.053 177.643 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . 0.413 ' HA ' ' HA ' ' A' ' 4' ' ' NLE . 49.7 mtt180 -103.21 138.83 39.48 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 116.258 -0.428 . . . . 3.11 111.189 -175.46 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 86.6 m-85 -123.8 160.77 26.63 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 115.985 -0.552 . . . . 0.32 110.777 -177.844 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 10.5 m -101.22 -27.19 13.35 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 115.82 -0.627 . . . . 1.06 110.559 -177.145 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . 0.423 ' HB2' ' HG3' ' A' ' 19' ' ' GLU . 60.7 mtt180 -119.45 143.14 47.67 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 116.002 -0.545 . . . . 3.2 110.379 177.358 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 5.9 p -66.17 -27.73 68.23 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.633 -0.712 . . . . 1.25 111.479 -176.597 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 30.9 t70 -65.81 -34.72 78.82 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.85 0.357 . . . . 2.04 110.485 176.399 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . 0.423 ' HG3' ' HB2' ' A' ' 16' ' ' ARG . 59.4 mt-10 -64.68 -43.99 91.8 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.978 -0.556 . . . . 2.45 109.878 178.433 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 48.0 tp -68.21 -41.45 81.31 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.717 -0.674 . . . . 0.22 110.901 178.505 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 47.4 mt-30 -58.9 -49.34 78.17 Favored 'General case' 0 C--O 1.235 0.295 0 CA-C-O 121.099 0.476 . . . . 1.2 110.346 176.626 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 27.5 ttm180 -56.03 -48.76 75.37 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 115.289 -0.869 . . . . 3.55 109.96 177.822 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 40.1 t60 -60.65 -46.89 88.6 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 115.194 -0.912 . . . . 0.17 111.261 -179.908 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 57.6 tptt -56.47 -25.49 51.09 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.254 -0.43 . . . . 2.2 111.286 -177.481 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 93.2 mtt180 -60.29 -23.04 63.84 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.302 -0.408 . . . . 3.16 111.468 178.58 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 26' ' ' THR . . . . . 0.423 ' HA ' ' N ' ' A' ' 32' ' ' NH2 . 82.1 p -70.98 -37.57 72.74 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-O 120.68 0.276 . . . . 0.35 110.784 179.272 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 89.1 m-70 -82.43 -28.6 31.23 Favored 'General case' 0 C--O 1.234 0.276 0 CA-C-N 116.279 -0.419 . . . . 0.43 110.428 -179.742 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 10.8 m -80.84 76.8 7.75 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-O 121.204 0.526 . . . . 2.16 110.803 -179.241 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 116.33 -174.48 15.27 Favored Glycine 0 N--CA 1.448 -0.516 0 N-CA-C 111.55 -0.62 . . . . 4.55 111.55 -179.689 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 41.1 tt0 -87.17 106.24 17.75 Favored 'General case' 0 C--N 1.324 -0.539 0 N-CA-C 109.127 -0.694 . . . . 8.01 109.127 175.619 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 64.1 tttp 61.93 66.65 0.81 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 121.768 0.794 . . . . 8.09 109.275 -172.17 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 32' ' ' NH2 . . . . . 0.423 ' N ' ' HA ' ' A' ' 26' ' ' THR . . . . . . . . 0 C--N 1.32 -0.716 0 CA-C-N 115.763 -0.653 . . . . 6.2 . . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 22.8 tpt180 . . . . . 0 N--CA 1.482 1.141 0 CA-C-O 120.93 0.395 . . . . 4.45 110.018 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 87.1 Cg_endo -90.0 157.69 4.88 Favored 'Trans proline' 0 N--CA 1.455 -0.768 0 C-N-CA 122.83 2.353 . . . . 1.0 112.736 -177.711 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 3' ' ' PHE . . . . . 0.401 ' HB2' ' HB2' ' A' ' 14' ' ' PHE . 88.9 m-85 -133.11 161.09 35.34 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 115.85 -0.614 . . . . 0.66 109.645 178.91 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 4' ' ' NLE . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 16.1 t -81.76 142.36 32.69 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 115.97 -0.559 . . . . 0.38 109.828 174.671 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 35.2 p -133.78 21.37 3.88 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 116.151 -0.477 . . . . 1.7 111.166 -177.417 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 7' ' ' TRP . . . . . . . . . . . . . 24.2 t90 -78.06 129.2 34.94 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 116.295 -0.412 . . . . 1.26 110.134 -177.217 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 8' ' ' DPR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -112.42 13.72 25.5 Favored Glycine 0 N--CA 1.45 -0.426 0 N-CA-C 110.985 -0.846 . . . . 0.83 110.985 176.782 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 39.7 t -84.39 130.33 34.79 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 115.161 -0.519 . . . . 0.94 110.202 -179.078 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -138.31 57.9 0.63 Allowed Glycine 0 N--CA 1.45 -0.404 0 C-N-CA 120.796 -0.716 . . . . 0.43 112.42 -177.537 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 46.1 tttp -88.36 136.57 32.92 Favored 'General case' 0 C--N 1.323 -0.568 0 N-CA-C 110.13 -0.322 . . . . 1.57 110.13 178.785 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 54.1 mtp180 -101.9 151.26 22.31 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-O 121.107 0.48 . . . . 3.11 111.12 -178.432 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 14' ' ' PHE . . . . . 0.401 ' HB2' ' HB2' ' A' ' 3' ' ' PHE . 70.4 m-85 -137.79 175.54 9.5 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 115.626 -0.715 . . . . 0.32 110.491 -176.273 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 3.0 p -119.54 -22.19 7.07 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 116.107 -0.497 . . . . 1.06 111.205 -178.987 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 21.3 mtp180 -126.89 146.67 50.21 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 116.14 -0.482 . . . . 3.2 110.221 174.803 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . 0.493 ' O ' ' HG3' ' A' ' 21' ' ' GLN . 27.8 p -62.69 -25.74 68.31 Favored 'General case' 0 C--O 1.223 -0.334 0 CA-C-N 115.847 -0.615 . . . . 1.25 110.222 179.035 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 7.8 m-20 -59.64 -42.15 92.08 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.918 -0.583 . . . . 2.04 110.363 177.001 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 49.1 mt-10 -63.13 -45.29 92.65 Favored 'General case' 0 N--CA 1.451 -0.412 0 CA-C-N 115.454 -0.794 . . . . 2.45 109.79 177.895 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 58.7 tp -65.5 -37.35 86.55 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.477 -0.783 . . . . 0.22 111.038 -179.922 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 21' ' ' GLN . . . . . 0.493 ' HG3' ' O ' ' A' ' 17' ' ' SER . 59.8 mt-30 -65.48 -53.5 41.74 Favored 'General case' 0 C--O 1.234 0.28 0 CA-C-O 120.667 0.27 . . . . 1.2 111.024 179.56 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 27.1 ptt180 -62.2 -38.61 89.78 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.903 0.382 . . . . 3.55 110.245 -179.122 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 32.6 t60 -64.14 -49.98 69.99 Favored 'General case' 0 N--CA 1.45 -0.455 0 CA-C-N 115.841 -0.618 . . . . 0.17 110.636 178.155 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 38.1 ttpt -59.76 -22.07 61.6 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.346 -0.388 . . . . 2.2 111.373 -175.452 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . 0.45 ' HG3' ' O ' ' A' ' 21' ' ' GLN . 74.1 mtt180 -61.52 -19.58 62.26 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.463 -0.335 . . . . 3.16 111.492 178.221 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 75.8 p -72.4 -34.82 68.18 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-O 121.105 0.479 . . . . 0.35 110.482 177.066 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 80.2 m-70 -85.14 -47.9 9.69 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.926 -0.579 . . . . 0.43 109.974 178.948 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 15.5 m -103.46 85.18 2.42 Favored 'General case' 0 N--CA 1.448 -0.526 0 CA-C-N 115.653 -0.703 . . . . 2.16 110.453 -176.983 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -166.48 -164.02 21.26 Favored Glycine 0 N--CA 1.444 -0.787 0 N-CA-C 111.205 -0.758 . . . . 4.55 111.205 179.815 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 41.3 tt0 -85.41 79.6 9.4 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-O 121.165 0.507 . . . . 8.01 110.119 -179.417 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 23.3 ttmm -137.1 -81.77 0.37 Allowed 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 115.959 -0.564 . . . . 8.09 109.959 178.744 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 32' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.324 -0.522 0 CA-C-N 116.498 -0.319 . . . . 6.2 . . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 79.1 ttt180 . . . . . 0 N--CA 1.478 0.972 0 CA-C-O 120.492 0.187 . . . . 4.45 110.741 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 70.8 Cg_endo -77.68 145.05 22.73 Favored 'Trans proline' 0 C--O 1.235 0.364 0 C-N-CA 122.37 2.047 . . . . 1.0 111.49 175.045 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 3' ' ' PHE . . . . . 0.426 ' CZ ' ' HB3' ' A' ' 17' ' ' SER . 98.6 m-85 -98.31 150.27 21.73 Favored 'General case' 0 C--N 1.321 -0.642 0 CA-C-N 116.393 -0.367 . . . . 0.66 110.433 -175.683 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 4' ' ' NLE . . . . . 0.408 ' HA ' ' HA ' ' A' ' 13' ' ' ARG . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 51.6 t -72.14 136.34 46.48 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 115.947 -0.569 . . . . 0.38 109.998 176.3 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 20.7 p -113.88 10.93 17.78 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-N 116.06 -0.518 . . . . 1.7 111.354 -177.008 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 7' ' ' TRP . . . . . . . . . . . . . 75.4 t90 -82.33 122.58 28.15 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 116.201 -0.454 . . . . 1.26 110.28 -177.946 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 8' ' ' DPR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -103.12 18.24 49.74 Favored Glycine 0 N--CA 1.449 -0.486 0 N-CA-C 111.315 -0.714 . . . . 0.83 111.315 176.144 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 52.8 t -84.64 72.27 10.71 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-O 121.152 0.501 . . . . 0.94 110.232 -177.748 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -87.1 63.78 3.96 Favored Glycine 0 N--CA 1.45 -0.401 0 C-N-CA 121.152 -0.547 . . . . 0.43 112.697 -177.771 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 86.2 tttt -93.55 129.02 39.93 Favored 'General case' 0 C--N 1.325 -0.467 0 N-CA-C 109.833 -0.432 . . . . 1.57 109.833 178.265 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . 0.408 ' HA ' ' HA ' ' A' ' 4' ' ' NLE . 81.5 mtm180 -99.11 148.41 24.08 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-O 120.945 0.402 . . . . 3.11 111.563 -175.498 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 94.4 m-85 -135.18 160.54 38.05 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.789 -0.641 . . . . 0.32 110.436 -178.229 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 5.8 m -111.08 -4.92 14.89 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-O 121.447 0.642 . . . . 1.06 110.173 178.906 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 73.5 mtp180 -125.99 135.48 51.87 Favored 'General case' 0 C--O 1.238 0.452 0 CA-C-N 115.722 -0.672 . . . . 3.2 110.414 178.121 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . 0.426 ' HB3' ' CZ ' ' A' ' 3' ' ' PHE . 55.9 p -65.71 -38.99 90.73 Favored 'General case' 0 C--O 1.233 0.235 0 CA-C-N 115.644 -0.707 . . . . 1.25 110.819 -178.765 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 36.6 t70 -67.28 -30.93 70.94 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.974 -0.557 . . . . 2.04 110.893 179.171 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 56.1 mm-40 -70.46 -36.33 73.85 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.424 -0.353 . . . . 2.45 110.984 177.816 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 52.9 tp -66.79 -41.32 87.8 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.459 -0.337 . . . . 0.22 110.284 173.886 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 21' ' ' GLN . . . . . 0.459 ' O ' ' HG3' ' A' ' 25' ' ' ARG . 26.5 mt-30 -59.6 -51.31 70.35 Favored 'General case' 0 C--O 1.235 0.301 0 CA-C-O 121.273 0.558 . . . . 1.2 109.998 175.53 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 77.4 ttt180 -52.23 -49.29 64.28 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 114.736 -1.12 . . . . 3.55 110.432 177.138 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 43.0 t60 -58.08 -50.59 72.94 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 115.509 -0.769 . . . . 0.17 111.017 178.619 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 4.5 tppp? -58.26 -24.2 58.61 Favored 'General case' 0 C--O 1.234 0.269 0 CA-C-N 116.375 -0.375 . . . . 2.2 111.515 -175.82 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . 0.459 ' HG3' ' O ' ' A' ' 21' ' ' GLN . 52.9 mtp180 -57.76 -24.81 58.92 Favored 'General case' 0 C--O 1.233 0.214 0 CA-C-O 120.738 0.304 . . . . 3.16 111.451 179.156 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 69.7 p -72.24 -34.74 68.52 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.82 0.343 . . . . 0.35 110.806 179.225 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 83.3 m-70 -79.25 -34.01 43.05 Favored 'General case' 0 C--O 1.233 0.213 0 N-CA-C 109.73 -0.47 . . . . 0.43 109.73 177.982 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 33.4 m 74.87 -56.92 0.62 Allowed 'General case' 0 N--CA 1.464 0.25 0 CA-C-N 115.366 -0.834 . . . . 2.16 111.618 177.584 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -131.72 172.0 21.07 Favored Glycine 0 N--CA 1.445 -0.765 0 C-N-CA 120.919 -0.658 . . . . 4.55 111.89 -179.557 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 23.2 tp10 -75.83 -69.39 0.5 Allowed 'General case' 0 C--N 1.324 -0.522 0 N-CA-C 110.14 -0.319 . . . . 8.01 110.14 -179.878 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 97.7 mttt 54.42 75.73 0.27 Allowed 'General case' 0 N--CA 1.462 0.164 0 CA-C-O 121.359 0.6 . . . . 8.09 111.362 178.861 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 32' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.32 -0.705 0 CA-C-N 116.214 -0.448 . . . . 6.2 . . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 42.4 ttm180 . . . . . 0 N--CA 1.477 0.885 0 N-CA-C 110.37 -0.233 . . . . 4.45 110.37 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 93.5 Cg_endo -81.56 157.13 19.0 Favored 'Trans proline' 0 N--CA 1.459 -0.501 0 C-N-CA 122.526 2.151 . . . . 1.0 112.154 179.276 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 96.7 m-85 -131.68 155.55 47.43 Favored 'General case' 0 C--N 1.319 -0.737 0 CA-C-N 115.898 -0.592 . . . . 0.66 109.429 178.763 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 4' ' ' NLE . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 11.7 t -79.45 116.19 19.53 Favored 'General case' 0 C--N 1.324 -0.524 0 N-CA-C 109.49 -0.559 . . . . 0.38 109.49 172.22 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 35.7 p -96.27 22.72 7.39 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-N 116.193 -0.458 . . . . 1.7 111.505 -177.066 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 7' ' ' TRP . . . . . . . . . . . . . 66.4 t90 -88.52 128.41 35.55 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.324 -0.398 . . . . 1.26 110.157 179.811 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 8' ' ' DPR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -106.59 16.87 40.27 Favored Glycine 0 N--CA 1.45 -0.403 0 N-CA-C 110.698 -0.961 . . . . 0.83 110.698 175.117 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 43.7 t -84.12 67.32 9.67 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 115.163 -0.519 . . . . 0.94 110.232 -178.97 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -81.36 59.4 4.8 Favored Glycine 0 N--CA 1.45 -0.424 0 C-N-CA 121.125 -0.559 . . . . 0.43 112.684 -178.945 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 51.8 tttp -84.63 138.65 32.57 Favored 'General case' 0 C--N 1.322 -0.597 0 N-CA-C 110.109 -0.33 . . . . 1.57 110.109 177.02 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 84.9 mtm180 -109.16 144.57 37.06 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 116.053 -0.521 . . . . 3.11 111.247 -176.971 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 65.6 m-85 -130.81 -179.12 5.12 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 115.463 -0.789 . . . . 0.32 109.482 -178.144 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 19.4 p -125.34 -0.45 7.64 Favored 'General case' 0 C--N 1.319 -0.747 0 CA-C-O 121.058 0.456 . . . . 1.06 110.607 176.89 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . 0.421 ' HB3' ' OD2' ' A' ' 18' ' ' ASP . 99.1 mtt180 -137.08 134.84 36.92 Favored 'General case' 0 C--O 1.235 0.316 0 CA-C-N 116.051 -0.522 . . . . 3.2 110.184 179.38 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 9.8 t -70.15 -28.35 65.27 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.93 -0.577 . . . . 1.25 110.252 -176.269 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 18' ' ' ASP . . . . . 0.421 ' OD2' ' HB3' ' A' ' 16' ' ' ARG . 8.7 p-10 -72.09 -31.48 66.12 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.219 -0.446 . . . . 2.04 110.522 177.953 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 18.4 mm-40 -71.01 -37.63 72.66 Favored 'General case' 0 CA--C 1.515 -0.377 0 CA-C-N 116.319 -0.4 . . . . 2.45 110.308 174.945 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 57.0 tp -63.05 -43.7 97.91 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 115.822 -0.627 . . . . 0.22 110.28 174.387 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 94.1 mt-30 -60.84 -47.29 87.05 Favored 'General case' 0 C--O 1.237 0.445 0 CA-C-O 120.884 0.374 . . . . 1.2 110.771 176.739 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 54.7 ttp85 -58.39 -45.1 89.0 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.863 -0.608 . . . . 3.55 110.045 177.639 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 35.1 t60 -59.18 -46.75 87.6 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.655 -0.702 . . . . 0.17 110.712 177.753 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 31.8 mmtp -55.93 -25.59 44.03 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.432 -0.349 . . . . 2.2 111.824 -178.527 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 43.1 mtp180 -61.35 -18.98 61.27 Favored 'General case' 0 C--N 1.328 -0.339 0 N-CA-C 111.897 0.332 . . . . 3.16 111.897 179.787 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 75.9 p -76.74 -30.54 56.64 Favored 'General case' 0 C--O 1.234 0.27 0 CA-C-O 120.943 0.401 . . . . 0.35 110.824 177.258 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 84.6 m-70 -85.87 -42.85 13.76 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 121.305 0.574 . . . . 0.43 109.758 177.164 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 23.5 p -104.03 69.19 0.93 Allowed 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 115.387 -0.824 . . . . 2.16 110.62 -178.019 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -80.2 -25.35 57.57 Favored Glycine 0 N--CA 1.443 -0.837 0 C-N-CA 120.765 -0.731 . . . . 4.55 111.954 -179.715 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 10.2 tp10 -67.15 -55.47 14.05 Favored 'General case' 0 C--N 1.321 -0.631 0 CA-C-O 120.812 0.339 . . . . 8.01 110.601 -178.857 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 74.9 mmtt -110.4 85.51 2.12 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-O 121.203 0.525 . . . . 8.09 110.301 -179.194 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 32' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.319 -0.749 0 CA-C-N 115.96 -0.564 . . . . 6.2 . . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 89.6 mtt180 . . . . . 0 N--CA 1.478 0.935 0 CA-C-O 120.669 0.271 . . . . 4.45 110.488 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 23.5 Cg_exo -64.95 103.28 0.48 Allowed 'Trans proline' 0 N--CA 1.464 -0.25 0 C-N-CA 122.761 2.307 . . . . 1.0 111.318 176.381 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 3' ' ' PHE . . . . . 0.456 ' HB2' ' HB2' ' A' ' 14' ' ' PHE . 78.9 m-85 -85.52 147.67 26.33 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 116.401 -0.363 . . . . 0.66 110.248 -178.919 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 4' ' ' NLE . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 10.5 t -73.12 135.29 44.71 Favored 'General case' 0 N--CA 1.447 -0.61 0 CA-C-N 115.721 -0.672 . . . . 0.38 109.597 173.303 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 16.5 p -118.71 26.0 9.86 Favored 'General case' 0 C--N 1.321 -0.631 0 CA-C-O 120.964 0.411 . . . . 1.7 111.467 -176.503 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 7' ' ' TRP . . . . . . . . . . . . . 62.1 t90 -87.84 126.29 34.94 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 116.249 -0.432 . . . . 1.26 109.851 178.711 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 8' ' ' DPR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -107.52 13.23 39.37 Favored Glycine 0 N--CA 1.447 -0.576 0 N-CA-C 111.206 -0.757 . . . . 0.83 111.206 174.759 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 42.6 t -74.06 98.65 3.14 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 115.437 -0.382 . . . . 0.94 109.997 -179.906 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -99.9 45.98 1.44 Allowed Glycine 0 N--CA 1.449 -0.436 0 C-N-CA 121.013 -0.613 . . . . 0.43 112.761 -176.625 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 26.9 tptp -72.24 127.73 33.47 Favored 'General case' 0 C--N 1.323 -0.545 0 N-CA-C 110.09 -0.337 . . . . 1.57 110.09 178.428 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 52.0 mtp180 -103.97 152.06 22.44 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 116.357 -0.383 . . . . 3.11 111.075 -177.899 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 14' ' ' PHE . . . . . 0.456 ' HB2' ' HB2' ' A' ' 3' ' ' PHE . 51.4 m-85 -139.63 155.53 47.37 Favored 'General case' 0 C--O 1.237 0.416 0 CA-C-N 116.081 -0.509 . . . . 0.32 110.803 -176.82 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 16.6 p -102.2 -15.57 16.62 Favored 'General case' 0 C--N 1.321 -0.635 0 CA-C-N 115.734 -0.666 . . . . 1.06 110.194 175.818 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 74.7 mtp180 -124.5 142.51 51.27 Favored 'General case' 0 C--O 1.237 0.432 0 CA-C-N 115.798 -0.637 . . . . 3.2 111.407 -179.937 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 23.0 p -71.2 -29.53 65.27 Favored 'General case' 0 N--CA 1.454 -0.266 0 CA-C-N 115.614 -0.721 . . . . 1.25 110.419 -179.336 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 14.8 m-20 -59.96 -40.79 90.23 Favored 'General case' 0 CA--C 1.517 -0.291 0 CA-C-N 115.958 -0.565 . . . . 2.04 110.169 175.62 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 22.6 mm-40 -71.23 -38.03 72.0 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.7 -0.682 . . . . 2.45 111.205 179.812 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 39.9 tp -62.71 -46.49 87.88 Favored 'General case' 0 C--N 1.328 -0.337 0 C-N-CA 121.023 -0.271 . . . . 0.22 110.602 176.185 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 21' ' ' GLN . . . . . 0.469 ' O ' ' HG3' ' A' ' 25' ' ' ARG . 79.8 mt-30 -62.07 -50.56 71.5 Favored 'General case' 0 C--O 1.234 0.255 0 CA-C-O 121.04 0.448 . . . . 1.2 110.217 178.041 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 61.1 ttt180 -51.19 -57.7 8.08 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.258 -0.883 . . . . 3.55 110.568 177.784 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 23' ' ' HIS . . . . . 0.441 ' CG ' ' HZ ' ' A' ' 14' ' ' PHE . 17.6 t60 -57.41 -46.1 83.85 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 115.757 -0.656 . . . . 0.17 110.976 -179.438 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 5.1 tppp? -56.28 -31.13 63.33 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.473 -0.33 . . . . 2.2 110.86 -176.307 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . 0.469 ' HG3' ' O ' ' A' ' 21' ' ' GLN . 90.2 mtt180 -65.3 -15.52 62.61 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.014 -0.539 . . . . 3.16 112.097 -178.528 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 66.8 p -72.35 -31.93 66.04 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 121.038 0.447 . . . . 0.35 109.896 176.619 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 86.3 m-70 -86.75 -53.49 4.9 Favored 'General case' 0 N--CA 1.454 -0.248 0 N-CA-C 109.413 -0.588 . . . . 0.43 109.413 175.917 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 32.3 m -132.4 92.63 3.11 Favored 'General case' 0 N--CA 1.447 -0.606 0 CA-C-N 115.359 -0.837 . . . . 2.16 110.665 -175.393 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -131.84 -48.23 0.11 Allowed Glycine 0 N--CA 1.449 -0.493 0 C-N-CA 120.707 -0.758 . . . . 4.55 111.704 177.689 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 8.8 tp10 -91.03 -41.1 11.27 Favored 'General case' 0 C--N 1.321 -0.632 0 CA-C-O 121.028 0.442 . . . . 8.01 109.946 177.78 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 87.8 tttt -130.01 99.26 5.02 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 115.964 -0.562 . . . . 8.09 110.183 179.651 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 32' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.322 -0.623 0 CA-C-N 116.461 -0.336 . . . . 6.2 . . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 96.7 mtt180 . . . . . 0 N--CA 1.48 1.063 0 N-CA-C 109.811 -0.44 . . . . 4.45 109.811 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 72.6 Cg_endo -78.18 119.06 4.51 Favored 'Trans proline' 0 N--CA 1.463 -0.299 0 C-N-CA 122.583 2.189 . . . . 1.0 112.559 -178.952 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 3' ' ' PHE . . . . . 0.485 ' CZ ' ' HB3' ' A' ' 17' ' ' SER . 93.4 m-85 -115.29 147.4 40.46 Favored 'General case' 0 C--N 1.323 -0.545 0 N-CA-C 109.984 -0.376 . . . . 0.66 109.984 176.474 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 4' ' ' NLE . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 24.5 t -76.79 129.54 36.41 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-O 121.056 0.455 . . . . 0.38 109.81 175.323 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 9.9 t -110.16 16.79 21.56 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 116.069 -0.514 . . . . 1.7 110.744 -177.204 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 7' ' ' TRP . . . . . . . . . . . . . 64.9 t90 -82.14 123.98 29.47 Favored 'General case' 0 C--N 1.324 -0.511 0 N-CA-C 109.796 -0.446 . . . . 1.26 109.796 179.426 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 8' ' ' DPR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -98.57 23.41 36.39 Favored Glycine 0 N--CA 1.448 -0.526 0 N-CA-C 111.106 -0.798 . . . . 0.83 111.106 175.302 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 51.5 t -90.08 67.17 6.94 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-O 121.375 0.607 . . . . 0.94 110.291 -179.479 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -84.56 60.87 4.77 Favored Glycine 0 N--CA 1.449 -0.483 0 CA-C-N 115.896 -0.593 . . . . 0.43 112.726 -176.987 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 62.5 tttp -87.28 136.88 32.76 Favored 'General case' 0 C--N 1.323 -0.558 0 N-CA-C 109.964 -0.384 . . . . 1.57 109.964 177.019 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 85.2 mtt180 -99.9 147.29 25.7 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 116.205 -0.452 . . . . 3.11 111.758 -174.641 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 80.1 m-85 -138.64 154.39 48.65 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 115.608 -0.724 . . . . 0.32 110.119 -179.962 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 13.8 m -109.72 -10.86 14.78 Favored 'General case' 0 C--N 1.318 -0.768 0 CA-C-O 121.457 0.646 . . . . 1.06 109.849 176.041 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 98.4 mtt180 -120.57 135.05 55.2 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.756 -0.656 . . . . 3.2 110.24 178.441 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . 0.523 ' O ' ' HG3' ' A' ' 21' ' ' GLN . 29.8 p -67.85 -34.95 77.69 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.21 -0.45 . . . . 1.25 110.271 -179.966 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 18' ' ' ASP . . . . . 0.423 ' O ' ' HG3' ' A' ' 22' ' ' ARG . 27.5 t70 -60.68 -40.77 93.36 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.744 -0.662 . . . . 2.04 110.53 177.002 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 30.8 mm-40 -61.07 -45.03 96.39 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.747 -0.66 . . . . 2.45 110.535 176.5 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 54.3 tp -64.67 -36.74 85.24 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.802 -0.636 . . . . 0.22 110.937 178.65 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 21' ' ' GLN . . . . . 0.523 ' HG3' ' O ' ' A' ' 17' ' ' SER . 58.3 mt-30 -63.7 -49.69 72.11 Favored 'General case' 0 C--O 1.237 0.405 0 CA-C-O 120.922 0.392 . . . . 1.2 110.321 177.542 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 22' ' ' ARG . . . . . 0.423 ' HG3' ' O ' ' A' ' 18' ' ' ASP . 96.0 mtt180 -54.66 -50.0 69.25 Favored 'General case' 0 C--N 1.332 -0.156 0 CA-C-N 115.787 -0.642 . . . . 3.55 109.84 176.601 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 38.7 t60 -58.64 -47.29 84.89 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 115.387 -0.824 . . . . 0.17 111.031 -179.816 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 50.6 tptt -56.06 -25.92 47.16 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 116.167 -0.47 . . . . 2.2 111.518 -178.357 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . 0.496 ' HA ' ' O ' ' A' ' 28' ' ' THR . 54.8 mtm180 -63.99 -16.31 61.31 Favored 'General case' 0 C--N 1.329 -0.32 0 N-CA-C 111.965 0.358 . . . . 3.16 111.965 179.332 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 80.7 p -77.31 -28.52 53.26 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 121.087 0.47 . . . . 0.35 110.495 176.857 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 86.3 m-70 -90.46 -42.98 10.56 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.948 -0.569 . . . . 0.43 110.196 177.769 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 28' ' ' THR . . . . . 0.496 ' O ' ' HA ' ' A' ' 25' ' ' ARG . 11.4 m -126.2 114.94 19.0 Favored 'General case' 0 N--CA 1.448 -0.55 0 CA-C-N 115.819 -0.628 . . . . 2.16 109.995 -179.798 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 111.29 14.43 11.79 Favored Glycine 0 N--CA 1.445 -0.703 0 C-N-CA 120.614 -0.803 . . . . 4.55 111.707 -177.575 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 6.0 tp10 -82.97 -41.91 18.23 Favored 'General case' 0 C--N 1.325 -0.47 0 N-CA-C 109.372 -0.603 . . . . 8.01 109.372 177.438 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 59.7 tttm -88.69 89.59 8.05 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 115.515 -0.766 . . . . 8.09 109.918 178.78 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 32' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.32 -0.708 0 CA-C-N 116.401 -0.363 . . . . 6.2 . . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 18.0 ptp180 . . . . . 0 N--CA 1.48 1.038 0 N-CA-C 110.404 -0.221 . . . . 4.45 110.404 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 84.6 Cg_endo -83.39 149.68 13.19 Favored 'Trans proline' 0 N--CA 1.455 -0.736 0 C-N-CA 122.444 2.096 . . . . 1.0 112.243 178.499 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 95.3 m-85 -124.6 152.51 43.48 Favored 'General case' 0 C--N 1.321 -0.66 0 CA-C-N 115.869 -0.605 . . . . 0.66 109.78 179.388 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 4' ' ' NLE . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 5' ' ' CYS . . . . . 0.518 ' O ' ' HA2' ' A' ' 11' ' ' GLY . 14.9 t -83.83 136.32 34.17 Favored 'General case' 0 N--CA 1.447 -0.602 0 CA-C-N 115.878 -0.601 . . . . 0.38 109.4 172.405 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 11.7 t -131.98 33.07 3.97 Favored 'General case' 0 C--N 1.318 -0.769 0 CA-C-O 121.849 0.833 . . . . 1.7 109.764 179.988 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 7' ' ' TRP . . . . . . . . . . . . . 66.2 t90 -82.6 129.11 34.88 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.351 -0.84 . . . . 1.26 110.232 179.954 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 8' ' ' DPR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -106.13 12.77 44.72 Favored Glycine 0 N--CA 1.448 -0.53 0 C-N-CA 120.89 -0.671 . . . . 0.83 111.657 177.954 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 42.5 t -88.73 143.81 26.67 Favored 'General case' 0 C--N 1.322 -0.621 0 N-CA-C 110.095 -0.335 . . . . 0.94 110.095 -179.531 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . 0.518 ' HA2' ' O ' ' A' ' 5' ' ' CYS . . . -149.41 44.52 0.73 Allowed Glycine 0 N--CA 1.448 -0.528 0 C-N-CA 120.867 -0.682 . . . . 0.43 112.314 -179.062 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 83.0 tttt -75.48 138.42 41.58 Favored 'General case' 0 C--N 1.327 -0.372 0 N-CA-C 110.0 -0.37 . . . . 1.57 110.0 179.677 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 56.9 mtt180 -110.14 147.06 34.4 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 116.119 -0.491 . . . . 3.11 111.341 -173.544 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 53.3 m-85 -137.45 175.86 9.22 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 115.529 -0.759 . . . . 0.32 109.644 -178.149 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 3.9 m -123.87 0.1 8.56 Favored 'General case' 0 C--N 1.32 -0.687 0 CA-C-O 121.62 0.724 . . . . 1.06 110.005 175.716 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . 0.435 ' HB3' ' OD2' ' A' ' 18' ' ' ASP . 21.1 mmm180 -131.25 136.19 48.0 Favored 'General case' 0 C--O 1.238 0.47 0 CA-C-N 115.58 -0.736 . . . . 3.2 110.372 178.947 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . 0.405 ' O ' ' HG3' ' A' ' 21' ' ' GLN . 9.8 t -66.87 -29.97 70.01 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.545 -0.752 . . . . 1.25 110.299 -177.909 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 18' ' ' ASP . . . . . 0.435 ' OD2' ' HB3' ' A' ' 16' ' ' ARG . 4.8 p-10 -67.41 -34.19 76.73 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.374 -0.375 . . . . 2.04 110.972 178.196 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 50.8 mt-10 -68.05 -46.19 71.8 Favored 'General case' 0 CA--C 1.516 -0.362 0 N-CA-C 109.753 -0.462 . . . . 2.45 109.753 176.329 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 54.1 tp -61.32 -43.62 98.57 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.606 -0.724 . . . . 0.22 110.889 179.409 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 21' ' ' GLN . . . . . 0.425 ' O ' ' HG3' ' A' ' 25' ' ' ARG . 48.2 mt-30 -62.5 -49.32 75.84 Favored 'General case' 0 C--O 1.235 0.34 0 CA-C-N 116.481 -0.327 . . . . 1.2 110.936 179.438 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 22' ' ' ARG . . . . . 0.503 ' HG3' ' NH2' ' A' ' 25' ' ' ARG . 77.1 ttt180 -57.98 -45.76 86.25 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 116.244 -0.434 . . . . 3.55 109.993 177.82 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 31.4 t60 -57.26 -46.85 82.66 Favored 'General case' 0 N--CA 1.451 -0.42 0 CA-C-N 115.601 -0.727 . . . . 0.17 110.691 178.115 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 31.1 mmtp -56.78 -28.47 61.37 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.757 -0.201 . . . . 2.2 111.534 -179.511 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . 0.503 ' NH2' ' HG3' ' A' ' 22' ' ' ARG . 16.7 mtm180 -65.89 -12.48 54.87 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.539 -0.3 . . . . 3.16 111.509 -178.939 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 71.4 p -77.8 -38.32 46.79 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 120.904 0.383 . . . . 0.35 110.05 174.911 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 88.7 m-70 -74.14 -45.22 50.2 Favored 'General case' 0 CA--C 1.518 -0.263 0 N-CA-C 109.502 -0.555 . . . . 0.43 109.502 178.826 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 2.6 m -87.85 20.39 3.08 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 115.768 -0.651 . . . . 2.16 110.254 179.947 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -70.81 -25.95 74.86 Favored Glycine 0 N--CA 1.453 -0.195 0 CA-C-N 115.853 -0.612 . . . . 4.55 112.171 -179.222 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 12.0 pt-20 -83.11 -2.7 56.07 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-O 120.826 0.346 . . . . 8.01 110.655 178.686 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 86.3 tttt -128.81 79.99 1.94 Allowed 'General case' 0 C--N 1.325 -0.461 0 CA-C-O 121.367 0.603 . . . . 8.09 109.929 -179.671 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 32' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.319 -0.755 0 CA-C-N 116.19 -0.459 . . . . 6.2 . . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 16.5 ptt180 . . . . . 0 N--CA 1.482 1.143 0 N-CA-C 110.447 -0.205 . . . . 4.45 110.447 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 57.3 Cg_endo -71.71 148.27 52.46 Favored 'Trans proline' 0 C--N 1.342 0.211 0 C-N-CA 122.444 2.096 . . . . 1.0 111.365 175.158 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 96.5 m-85 -109.22 149.17 29.79 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-O 120.689 0.28 . . . . 0.66 110.668 -176.987 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 4' ' ' NLE . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 16.4 t -80.47 136.88 36.4 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 115.995 -0.548 . . . . 0.38 110.386 176.154 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 37.4 p -126.19 20.49 7.49 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 115.89 -0.596 . . . . 1.7 111.128 -176.682 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 7' ' ' TRP . . . . . . . . . . . . . 56.9 t90 -77.43 128.89 35.0 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.194 -0.457 . . . . 1.26 110.304 -178.525 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 8' ' ' DPR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -114.36 11.73 21.69 Favored Glycine 0 N--CA 1.449 -0.486 0 N-CA-C 111.194 -0.763 . . . . 0.83 111.194 176.306 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 45.1 t -76.3 140.29 41.45 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 115.289 -0.456 . . . . 0.94 109.993 -179.041 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -147.94 71.12 0.32 Allowed Glycine 0 N--CA 1.446 -0.675 0 C-N-CA 120.711 -0.757 . . . . 0.43 112.467 -175.863 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 24.1 ttmm -109.27 136.75 48.21 Favored 'General case' 0 C--N 1.323 -0.579 0 N-CA-C 109.734 -0.469 . . . . 1.57 109.734 176.914 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 19.6 mtp180 -103.59 148.6 25.8 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 121.045 0.45 . . . . 3.11 111.745 -176.031 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 68.2 m-85 -138.63 163.45 32.04 Favored 'General case' 0 C--O 1.236 0.377 0 CA-C-N 115.591 -0.731 . . . . 0.32 110.249 -178.579 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 17.6 p -109.73 4.1 21.54 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-O 121.163 0.506 . . . . 1.06 110.544 177.918 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 98.9 mtt180 -135.14 136.93 42.29 Favored 'General case' 0 C--O 1.238 0.462 0 CA-C-N 115.813 -0.63 . . . . 3.2 110.113 179.199 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . 0.451 ' O ' ' HG3' ' A' ' 21' ' ' GLN . 23.3 t -64.38 -37.61 88.13 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 115.88 -0.6 . . . . 1.25 109.655 177.518 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 16.2 t70 -63.54 -37.6 87.95 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 115.884 -0.598 . . . . 2.04 111.007 177.415 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 69.3 mm-40 -64.74 -44.15 91.06 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.317 -0.401 . . . . 2.45 110.476 176.91 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 37.9 tp -62.06 -45.06 95.21 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.841 -0.618 . . . . 0.22 110.843 177.693 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 21' ' ' GLN . . . . . 0.451 ' HG3' ' O ' ' A' ' 17' ' ' SER . 56.2 mt-30 -62.17 -46.93 86.79 Favored 'General case' 0 C--O 1.237 0.43 0 CA-C-O 120.862 0.363 . . . . 1.2 110.658 179.778 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 47.9 ttt180 -56.86 -50.67 71.74 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.761 -0.654 . . . . 3.55 110.148 178.319 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 15.9 t60 -55.16 -49.72 71.13 Favored 'General case' 0 N--CA 1.453 -0.317 0 CA-C-N 115.904 -0.589 . . . . 0.17 110.503 177.149 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 58.1 tttm -64.04 -17.25 63.17 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.852 -0.613 . . . . 2.2 111.384 -174.865 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . 0.415 ' HG3' ' O ' ' A' ' 21' ' ' GLN . 82.6 mtt180 -61.21 -19.37 61.55 Favored 'General case' 0 CA--C 1.53 0.195 0 C-N-CA 120.994 -0.283 . . . . 3.16 111.225 175.747 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 74.8 p -72.77 -32.12 65.4 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 121.205 0.526 . . . . 0.35 110.412 176.372 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 75.8 m-70 -84.16 -57.18 3.29 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 121.485 0.659 . . . . 0.43 109.458 178.222 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 20.6 p -122.21 88.3 2.91 Favored 'General case' 0 N--CA 1.446 -0.64 0 CA-C-N 115.115 -0.948 . . . . 2.16 110.279 -179.488 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -84.65 -24.33 46.64 Favored Glycine 0 N--CA 1.449 -0.434 0 C-N-CA 120.616 -0.802 . . . . 4.55 111.526 179.498 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 31.6 mt-10 -81.55 -54.06 5.74 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-O 120.972 0.415 . . . . 8.01 110.431 179.324 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 17.8 ptpt -131.44 80.16 1.92 Allowed 'General case' 0 C--N 1.326 -0.431 0 CA-C-O 121.64 0.733 . . . . 8.09 110.478 179.087 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 32' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.32 -0.713 0 CA-C-N 115.936 -0.574 . . . . 6.2 . . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 99.5 mtt180 . . . . . 0 N--CA 1.481 1.098 0 CA-C-O 120.416 0.151 . . . . 4.45 110.864 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 92.4 Cg_endo -80.56 153.09 20.37 Favored 'Trans proline' 0 N--CA 1.457 -0.666 0 C-N-CA 122.147 1.898 . . . . 1.0 111.428 175.142 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 96.9 m-85 -106.26 147.9 28.58 Favored 'General case' 0 C--N 1.323 -0.575 0 N-CA-C 109.719 -0.474 . . . . 0.66 109.719 178.484 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 4' ' ' NLE . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 13.2 t -77.29 122.47 25.14 Favored 'General case' 0 N--CA 1.448 -0.533 0 CA-C-N 116.059 -0.519 . . . . 0.38 109.737 173.089 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 33.3 p -103.31 20.66 17.35 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-N 116.057 -0.519 . . . . 1.7 111.657 -176.374 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 7' ' ' TRP . . . . . . . . . . . . . 65.0 t90 -88.28 125.67 34.78 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 116.242 -0.436 . . . . 1.26 109.879 178.94 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 8' ' ' DPR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -97.34 17.82 58.44 Favored Glycine 0 N--CA 1.449 -0.44 0 N-CA-C 111.235 -0.746 . . . . 0.83 111.235 175.951 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 52.6 t -86.43 76.29 9.65 Favored 'General case' 0 N--CA 1.449 -0.515 0 N-CA-C 109.786 -0.45 . . . . 0.94 109.786 179.694 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -94.09 48.98 2.2 Favored Glycine 0 N--CA 1.45 -0.43 0 C-N-CA 120.895 -0.669 . . . . 0.43 113.353 -173.661 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 39.1 ttmt -76.63 135.81 39.17 Favored 'General case' 0 C--N 1.326 -0.418 0 N-CA-C 110.133 -0.321 . . . . 1.57 110.133 176.983 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 79.5 mtm180 -106.77 149.71 27.06 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 116.19 -0.459 . . . . 3.11 111.065 -179.027 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 79.8 m-85 -132.89 166.31 22.61 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 115.628 -0.715 . . . . 0.32 110.603 -175.051 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 20.4 m -105.6 -26.76 11.72 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 115.869 -0.605 . . . . 1.06 110.346 -179.258 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 77.6 mtp180 -120.97 146.44 46.66 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 116.176 -0.465 . . . . 3.2 110.19 179.233 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . 0.406 ' O ' ' HG3' ' A' ' 21' ' ' GLN . 53.0 p -65.9 -33.24 75.38 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.953 -0.567 . . . . 1.25 110.544 179.846 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 6.4 m-20 -58.64 -37.51 76.09 Favored 'General case' 0 N--CA 1.465 0.324 0 CA-C-N 116.312 -0.404 . . . . 2.04 111.209 177.235 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 52.8 mt-10 -61.3 -51.69 67.82 Favored 'General case' 0 C--N 1.33 -0.271 0 N-CA-C 109.576 -0.528 . . . . 2.45 109.576 176.742 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 54.8 tp -65.16 -37.1 86.31 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.163 -0.926 . . . . 0.22 111.455 -177.96 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 21' ' ' GLN . . . . . 0.408 ' O ' ' HG3' ' A' ' 25' ' ' ARG . 96.4 mt-30 -62.12 -52.7 62.79 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.831 0.348 . . . . 1.2 110.663 178.677 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 48.1 ttt180 -60.04 -47.22 86.75 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.941 -0.572 . . . . 3.55 109.858 179.086 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 26.3 t60 -56.19 -49.23 74.65 Favored 'General case' 0 N--CA 1.452 -0.371 0 CA-C-N 115.808 -0.633 . . . . 0.17 110.96 178.849 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 4.2 tppp? -58.38 -26.77 63.57 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.387 -0.369 . . . . 2.2 111.308 -175.573 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . 0.408 ' HG3' ' O ' ' A' ' 21' ' ' GLN . 60.8 mtp180 -65.68 -17.63 64.75 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.107 -0.497 . . . . 3.16 111.933 179.946 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 79.8 p -73.3 -26.86 61.24 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 121.02 0.438 . . . . 0.35 110.203 177.364 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 86.6 m-70 -90.12 -63.73 1.24 Allowed 'General case' 0 N--CA 1.452 -0.328 0 CA-C-N 115.837 -0.62 . . . . 0.43 109.993 177.276 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 10.9 m 51.34 49.57 20.74 Favored 'General case' 0 CA--C 1.537 0.451 0 CA-C-O 121.811 0.815 . . . . 2.16 110.265 -174.599 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -90.93 -19.37 43.52 Favored Glycine 0 N--CA 1.449 -0.463 0 CA-C-N 115.529 -0.759 . . . . 4.55 112.059 -178.704 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 8.6 tp10 -75.99 -26.66 56.95 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-O 121.037 0.446 . . . . 8.01 110.031 179.644 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 39.0 ttpt -144.67 70.98 1.29 Allowed 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 121.531 0.681 . . . . 8.09 109.89 179.43 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 32' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.318 -0.767 0 CA-C-N 115.975 -0.557 . . . . 6.2 . . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 29.3 tpt180 . . . . . 0 N--CA 1.48 1.048 0 CA-C-O 120.59 0.233 . . . . 4.45 110.554 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 71.8 Cg_endo -84.13 90.72 0.87 Allowed 'Trans proline' 0 N--CA 1.452 -0.951 0 C-N-CA 122.323 2.015 . . . . 1.0 111.926 177.221 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 95.5 m-85 -67.81 139.31 56.59 Favored 'General case' 0 C--N 1.324 -0.517 0 N-CA-C 108.869 -0.789 . . . . 0.66 108.869 175.922 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 4' ' ' NLE . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 33.8 t -82.19 119.65 24.34 Favored 'General case' 0 N--CA 1.441 -0.877 0 N-CA-C 108.71 -0.848 . . . . 0.38 108.71 169.884 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 9.3 t -117.63 20.36 13.51 Favored 'General case' 0 C--N 1.317 -0.836 0 CA-C-O 121.476 0.655 . . . . 1.7 109.741 -178.287 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 7' ' ' TRP . . . . . . . . . . . . . 69.9 t90 -68.31 128.49 36.76 Favored 'General case' 0 N--CA 1.451 -0.395 0 CA-C-N 115.086 -0.961 . . . . 1.26 110.484 -179.555 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 8' ' ' DPR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -103.82 20.42 41.39 Favored Glycine 0 N--CA 1.45 -0.417 0 C-N-CA 120.959 -0.639 . . . . 0.83 111.55 178.531 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 51.8 t -95.69 135.26 37.6 Favored 'General case' 0 C--N 1.321 -0.635 0 N-CA-C 109.937 -0.394 . . . . 0.94 109.937 179.696 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -134.2 47.86 0.97 Allowed Glycine 0 N--CA 1.449 -0.445 0 C-N-CA 121.067 -0.587 . . . . 0.43 111.66 179.257 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 18.6 tptp -79.56 127.47 32.19 Favored 'General case' 0 C--N 1.325 -0.489 0 N-CA-C 110.356 -0.239 . . . . 1.57 110.356 -176.922 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . 0.419 HH11 ' HD2' ' A' ' 13' ' ' ARG . 52.6 mtt180 -107.3 145.97 32.11 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-O 121.116 0.484 . . . . 3.11 111.662 -176.992 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 66.0 m-85 -136.79 162.91 31.9 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 115.545 -0.752 . . . . 0.32 110.216 -176.772 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 11.3 m -106.07 -17.85 14.2 Favored 'General case' 0 C--N 1.32 -0.692 0 CA-C-N 116.088 -0.506 . . . . 1.06 110.02 177.539 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 96.8 mtt180 -121.4 139.27 53.67 Favored 'General case' 0 C--O 1.234 0.281 0 CA-C-N 115.863 -0.608 . . . . 3.2 110.429 179.496 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 33.2 t -68.81 -33.4 73.79 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.725 -0.67 . . . . 1.25 111.65 -175.127 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 4.3 p-10 -69.47 -27.83 65.57 Favored 'General case' 0 N--CA 1.464 0.255 0 C-N-CA 120.837 -0.345 . . . . 2.04 110.498 -179.706 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 11.6 mm-40 -68.48 -44.69 74.24 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.145 -0.479 . . . . 2.45 109.809 174.207 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 44.1 tp -61.54 -43.2 99.3 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.797 -0.638 . . . . 0.22 110.641 175.915 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 47.4 mt-30 -60.58 -50.79 72.1 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.432 -0.349 . . . . 1.2 110.729 178.672 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 25.6 tpt180 -53.91 -51.77 62.67 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.331 -0.395 . . . . 3.55 110.507 176.328 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 23.1 t60 -57.63 -48.19 80.13 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.872 -0.603 . . . . 0.17 111.328 179.688 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 27.5 tptp -60.26 -28.27 67.92 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-O 121.149 0.5 . . . . 2.2 111.087 -175.832 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . 0.416 ' HA ' HG22 ' A' ' 28' ' ' THR . 65.1 mtt180 -73.06 -6.16 43.72 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 115.986 -0.552 . . . . 3.16 111.817 -178.665 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 51.6 p -86.04 -22.54 27.19 Favored 'General case' 0 C--N 1.329 -0.292 0 C-N-CA 120.755 -0.378 . . . . 0.35 110.377 174.28 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 97.1 m-70 -81.3 -35.67 30.75 Favored 'General case' 0 C--O 1.233 0.191 0 N-CA-C 109.724 -0.472 . . . . 0.43 109.724 174.481 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 28' ' ' THR . . . . . 0.416 HG22 ' HA ' ' A' ' 25' ' ' ARG . 1.7 t -72.19 170.1 14.73 Favored 'General case' 0 N--CA 1.452 -0.331 0 CA-C-N 115.791 -0.64 . . . . 2.16 110.892 -177.62 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 158.06 -49.66 0.42 Allowed Glycine 0 N--CA 1.445 -0.706 0 N-CA-C 110.459 -1.056 . . . . 4.55 110.459 -176.198 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 15.1 mm-40 -88.17 54.61 3.13 Favored 'General case' 0 C--N 1.323 -0.586 0 N-CA-C 109.301 -0.629 . . . . 8.01 109.301 173.679 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 28.5 tptp -164.06 74.1 0.29 Allowed 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.538 -0.755 . . . . 8.09 109.499 -176.364 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 32' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.321 -0.639 0 CA-C-N 115.947 -0.57 . . . . 6.2 . . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 stop_ save_