data_6pv1_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 6pv1 _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 . . . . . . . . . . . . . 42.3 t . . . . . 0 N--CA 1.445 -0.694 0 CA-C-O 120.935 0.398 . . . . 0.19 110.523 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 19.9 p -90.55 38.63 0.95 Allowed 'General case' 0 C--N 1.323 -0.58 0 CA-C-N 115.979 -0.555 . . . . 1.85 111.329 -179.322 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 7' ' ' TRP . . . . . . . . . . . . . 54.0 t-105 . . . . . 0 N--CA 1.452 -0.352 0 N-CA-C 109.271 -0.64 . . . . 0.76 109.271 174.738 . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.449 -0.474 0 N-CA-C 113.516 0.166 . . . . 0.97 113.516 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 31.9 t -113.11 -73.52 0.66 Allowed 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 117.078 0.439 . . . . 0.46 110.425 177.107 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 65.15 36.27 92.72 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.898 -0.668 . . . . 0.28 113.601 175.414 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 57.5 tttp -90.46 135.05 33.94 Favored 'General case' 0 C--N 1.325 -0.493 0 N-CA-C 109.51 -0.552 . . . . 2.63 109.51 175.65 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 30.1 mtm180 -110.17 146.11 36.09 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-O 121.104 0.478 . . . . 3.71 112.112 -172.497 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 54.3 m-85 -137.71 155.43 49.1 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.233 -0.894 . . . . 0.34 109.726 -179.436 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 10.2 m -98.57 -11.3 22.3 Favored 'General case' 0 C--N 1.321 -0.654 0 CA-C-O 121.508 0.671 . . . . 1.79 109.927 176.558 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 19.5 mmm180 -116.13 133.86 55.57 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 115.519 -0.764 . . . . 4.85 110.915 178.765 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 17' ' ' SER . . . . . 0.405 ' O ' ' HG2' ' A' ' 21' ' ' GLN . 19.6 p -67.08 -36.52 82.18 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.49 -0.777 . . . . 1.36 110.71 -179.801 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 6.9 p-10 -64.39 -35.12 79.85 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.681 -0.69 . . . . 1.91 110.223 177.422 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 41.9 mm-40 -63.33 -46.61 85.85 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.924 -0.58 . . . . 1.38 110.647 174.857 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 56.8 tp -60.57 -47.75 84.83 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.15 -0.477 . . . . 1.07 111.226 178.821 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 21' ' ' GLN . . . . . 0.471 ' O ' ' HG3' ' A' ' 25' ' ' ARG . 64.8 mm-40 -63.83 -46.64 84.13 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.879 0.371 . . . . 2.82 110.473 -179.068 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 51.5 ttt180 -52.36 -50.69 61.86 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 115.644 -0.707 . . . . 2.99 110.153 175.266 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 31.3 t60 -58.13 -46.6 85.34 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 115.166 -0.925 . . . . 0.24 111.014 178.638 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 30.3 mmtp -56.14 -28.42 57.92 Favored 'General case' 0 C--O 1.238 0.474 0 CA-C-O 120.827 0.346 . . . . 2.01 111.726 -178.697 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 25' ' ' ARG . . . . . 0.471 ' HG3' ' O ' ' A' ' 21' ' ' GLN . 66.0 mtp180 -64.2 -18.56 64.62 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.205 -0.452 . . . . 3.37 111.411 -178.36 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 59.2 p -79.34 -22.79 44.0 Favored 'General case' 0 C--N 1.33 -0.26 0 C-N-CA 120.939 -0.304 . . . . 1.25 110.672 178.557 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 92.6 m-70 . . . . . 0 CA--C 1.517 -0.319 0 CA-C-O 120.949 0.404 . . . . 0.43 110.103 177.717 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 41.1 t . . . . . 0 N--CA 1.447 -0.591 0 N-CA-C 109.8 -0.444 . . . . 0.19 109.8 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 2.3 m -86.6 18.45 3.34 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-O 121.285 0.564 . . . . 1.85 110.921 -173.854 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 7' ' ' TRP . . . . . . . . . . . . . 33.3 t-105 . . . . . 0 N--CA 1.452 -0.36 0 N-CA-C 109.401 -0.592 . . . . 0.76 109.401 176.755 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.449 -0.478 0 CA-C-O 120.229 -0.206 . . . . 0.97 113.515 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 11.9 t -103.33 -82.52 0.49 Allowed 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 117.303 0.551 . . . . 0.46 110.811 -179.207 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 71.65 29.0 68.23 Favored Glycine 0 CA--C 1.519 0.297 0 C-N-CA 120.529 -0.843 . . . . 0.28 113.161 179.94 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 14.0 tptp -72.13 125.5 27.45 Favored 'General case' 0 C--N 1.326 -0.456 0 N-CA-C 109.479 -0.563 . . . . 2.63 109.479 177.13 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 14.2 ttm180 -107.11 140.4 40.01 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-O 120.854 0.359 . . . . 3.71 111.479 -173.973 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 63.6 m-85 -136.2 157.73 46.11 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.854 -0.612 . . . . 0.34 110.605 -177.684 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 18.4 m -93.84 -17.49 23.01 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 116.029 -0.532 . . . . 1.79 110.826 178.364 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 29.1 mtm-85 -123.18 145.5 48.57 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 121.132 0.492 . . . . 4.85 110.645 -179.741 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 11.1 p -72.26 -32.17 66.43 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.34 -0.845 . . . . 1.36 111.111 -178.07 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 4.8 p-10 -70.55 -29.25 65.66 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.94 0.4 . . . . 1.91 110.36 179.538 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . 0.489 ' OE2' ' HD3' ' A' ' 22' ' ' ARG . 8.4 tp10 -72.28 -42.39 65.6 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.845 -0.616 . . . . 1.38 109.412 177.596 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 46.7 tp -61.69 -44.32 97.17 Favored 'General case' 0 C--N 1.332 -0.173 0 CA-C-N 115.791 -0.64 . . . . 1.07 110.531 174.271 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 54.4 tp60 -58.98 -47.27 85.76 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.232 -0.44 . . . . 2.82 110.432 177.895 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 22' ' ' ARG . . . . . 0.489 ' HD3' ' OE2' ' A' ' 19' ' ' GLU . 36.2 ttt180 -55.84 -45.95 78.3 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 115.805 -0.634 . . . . 2.99 110.277 176.036 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 47.2 t60 -60.88 -46.28 91.24 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 115.567 -0.742 . . . . 0.24 111.456 179.914 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 64.3 mttm -56.68 -24.96 52.59 Favored 'General case' 0 N--CA 1.466 0.349 0 N-CA-C 111.986 0.365 . . . . 2.01 111.986 -176.337 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 80.9 mtt180 -60.84 -21.05 62.82 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.263 -0.426 . . . . 3.37 111.299 179.573 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 73.7 p -79.61 -20.88 45.77 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 120.767 0.318 . . . . 1.25 111.204 -178.722 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 98.3 m-70 . . . . . 0 C--N 1.33 -0.272 0 CA-C-O 121.008 0.433 . . . . 0.43 109.902 176.508 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 32.2 t . . . . . 0 N--CA 1.449 -0.506 0 N-CA-C 109.781 -0.451 . . . . 0.19 109.781 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 3.2 m -89.19 34.97 0.79 Allowed 'General case' 0 C--N 1.319 -0.741 0 CA-C-O 121.418 0.627 . . . . 1.85 110.718 -176.756 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 7' ' ' TRP . . . . . . . . . . . . . 36.2 t-105 . . . . . 0 N--CA 1.451 -0.425 0 N-CA-C 109.106 -0.701 . . . . 0.76 109.106 175.276 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.411 0 N-CA-C 113.766 0.267 . . . . 0.97 113.766 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 11.3 t -95.57 -73.67 0.58 Allowed 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 117.608 0.704 . . . . 0.46 110.52 -179.338 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 61.3 35.6 91.19 Favored Glycine 0 C--N 1.33 0.239 0 C-N-CA 120.78 -0.724 . . . . 0.28 112.837 178.044 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 20.7 tptp -83.93 119.52 24.98 Favored 'General case' 0 C--N 1.322 -0.594 0 N-CA-C 109.207 -0.664 . . . . 2.63 109.207 178.632 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 87.6 mtm180 -100.26 141.21 33.41 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-O 121.057 0.456 . . . . 3.71 111.744 -175.422 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 53.1 m-85 -132.85 155.41 49.05 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 115.58 -0.736 . . . . 0.34 110.154 179.641 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 15.1 t -106.33 11.43 31.0 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-O 121.032 0.444 . . . . 1.79 110.363 177.77 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 16' ' ' ARG . . . . . 0.421 ' HB2' ' HB2' ' A' ' 19' ' ' GLU . 65.8 mtm180 -134.81 134.24 40.65 Favored 'General case' 0 C--O 1.234 0.281 0 CA-C-N 115.975 -0.557 . . . . 4.85 109.801 177.722 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 2.1 m -64.86 -42.06 95.17 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.726 -0.67 . . . . 1.36 111.182 -176.324 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 7.9 p-10 -70.15 -28.84 65.66 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.87 -0.604 . . . . 1.91 110.518 -179.399 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . 0.421 ' HB2' ' HB2' ' A' ' 16' ' ' ARG . 7.7 tp10 -65.31 -43.5 90.84 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 115.913 -0.585 . . . . 1.38 109.836 178.298 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 41.5 tp -64.37 -43.97 92.82 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.897 -0.592 . . . . 1.07 110.993 176.488 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 19.2 mm-40 -61.43 -44.98 96.18 Favored 'General case' 0 C--O 1.236 0.355 0 CA-C-O 121.049 0.452 . . . . 2.82 110.642 178.996 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 75.6 ttt180 -59.29 -44.6 92.48 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.748 -0.66 . . . . 2.99 110.339 175.632 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 39.9 t60 -59.6 -42.62 92.99 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.848 -0.614 . . . . 0.24 110.981 178.969 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 68.5 mttm -53.63 -28.94 35.6 Favored 'General case' 0 N--CA 1.465 0.307 0 CA-C-O 120.696 0.284 . . . . 2.01 111.446 -179.46 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 89.5 mtt180 -68.1 -9.37 45.81 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.283 -0.417 . . . . 3.37 112.058 -177.614 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 72.2 p -82.12 -25.5 34.36 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-O 121.038 0.447 . . . . 1.25 110.264 174.895 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 98.1 m-70 . . . . . 0 C--N 1.331 -0.2 0 N-CA-C 109.574 -0.528 . . . . 0.43 109.574 176.455 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 29.2 t . . . . . 0 N--CA 1.448 -0.571 0 CA-C-O 120.847 0.356 . . . . 0.19 110.041 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 3.2 m -88.29 49.55 1.82 Allowed 'General case' 0 C--N 1.321 -0.632 0 CA-C-O 121.541 0.686 . . . . 1.85 110.402 -178.662 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 7' ' ' TRP . . . . . . . . . . . . . 36.6 t-105 . . . . . 0 C--N 1.326 -0.426 0 N-CA-C 108.645 -0.872 . . . . 0.76 108.645 174.782 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.445 -0.726 0 N-CA-C 112.896 -0.082 . . . . 0.97 112.896 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 18.9 t -129.75 -81.77 0.56 Allowed 'General case' 0 C--N 1.324 -0.536 0 C-N-CA 121.008 -0.277 . . . . 0.46 110.369 177.642 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 65.95 39.19 94.79 Favored Glycine 0 N--CA 1.449 -0.446 0 C-N-CA 120.823 -0.703 . . . . 0.28 113.522 177.361 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 34.9 mmtp -83.35 140.91 32.15 Favored 'General case' 0 C--N 1.325 -0.472 0 N-CA-C 109.94 -0.393 . . . . 2.63 109.94 175.619 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 81.7 mtt180 -109.96 137.72 47.35 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-O 120.79 0.329 . . . . 3.71 111.048 -175.763 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 54.8 m-85 -134.11 153.38 51.86 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 115.912 -0.585 . . . . 0.34 109.968 -178.766 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 7.6 m -100.33 -8.34 23.48 Favored 'General case' 0 C--N 1.321 -0.631 0 CA-C-O 121.53 0.681 . . . . 1.79 109.956 176.636 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 16' ' ' ARG . . . . . 0.5 ' HB2' ' CB ' ' A' ' 19' ' ' GLU . 70.8 mtt180 -113.61 132.04 55.89 Favored 'General case' 0 C--N 1.322 -0.63 0 CA-C-N 115.627 -0.715 . . . . 4.85 109.914 -179.973 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 12.0 p -70.55 -33.87 71.61 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-O 121.239 0.542 . . . . 1.36 110.502 179.459 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 6.2 p-10 -73.89 -27.75 61.21 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 115.83 -0.623 . . . . 1.91 110.478 178.541 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . 0.5 ' CB ' ' HB2' ' A' ' 16' ' ' ARG . 7.2 tp10 -68.41 -42.83 78.42 Favored 'General case' 0 C--N 1.329 -0.321 0 N-CA-C 109.554 -0.536 . . . . 1.38 109.554 175.216 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 49.7 tp -60.99 -45.11 96.12 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.006 -0.543 . . . . 1.07 110.652 175.285 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 48.8 mt-30 -58.71 -48.88 79.6 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-O 120.953 0.406 . . . . 2.82 110.419 176.255 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 39.3 ttm180 -56.61 -41.5 77.16 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.443 -0.799 . . . . 2.99 110.291 177.432 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 63.6 t60 -65.78 -44.58 85.39 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 115.465 -0.789 . . . . 0.24 111.149 179.832 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 66.9 mttm -55.66 -27.19 48.58 Favored 'General case' 0 C--O 1.238 0.477 0 CA-C-O 120.794 0.33 . . . . 2.01 111.253 -179.359 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 52.4 mtp180 -62.32 -19.93 63.82 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.18 -0.464 . . . . 3.37 111.371 179.848 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 80.7 p -71.72 -47.67 52.35 Favored 'General case' 0 C--N 1.33 -0.276 0 C-N-CA 121.005 -0.278 . . . . 1.25 110.513 179.826 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 98.7 m-70 . . . . . 0 CA--C 1.518 -0.266 0 CA-C-O 121.257 0.551 . . . . 0.43 110.067 -179.12 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 42.9 t . . . . . 0 N--CA 1.45 -0.441 0 CA-C-O 121.127 0.489 . . . . 0.19 110.111 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 9.8 p -88.42 34.47 0.75 Allowed 'General case' 0 C--N 1.32 -0.692 0 CA-C-N 115.724 -0.671 . . . . 1.85 111.449 -178.281 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 7' ' ' TRP . . . . . . . . . . . . . 54.0 t-105 . . . . . 0 N--CA 1.452 -0.348 0 N-CA-C 109.247 -0.649 . . . . 0.76 109.247 174.882 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.447 -0.613 0 CA-C-O 120.177 -0.235 . . . . 0.97 113.354 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 19.1 t -108.37 -84.29 0.54 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 117.264 0.532 . . . . 0.46 111.005 178.819 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 73.43 35.32 56.31 Favored Glycine 0 CA--C 1.519 0.327 0 C-N-CA 120.474 -0.87 . . . . 0.28 112.944 179.909 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 15.5 tptp -84.37 125.02 31.92 Favored 'General case' 0 C--N 1.324 -0.505 0 N-CA-C 109.151 -0.685 . . . . 2.63 109.151 176.246 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 53.2 mtt180 -107.51 140.02 41.13 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-O 121.054 0.454 . . . . 3.71 111.856 -174.564 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 47.0 m-85 -134.81 171.67 14.06 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.542 -0.754 . . . . 0.34 109.914 -178.546 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 19.0 m -108.99 -11.58 14.95 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 121.359 0.599 . . . . 1.79 110.383 175.983 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 86.0 mtm180 -120.1 132.41 55.42 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-N 116.053 -0.521 . . . . 4.85 110.793 -176.26 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 13.5 p -66.43 -34.9 78.98 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.46 -0.791 . . . . 1.36 110.866 -177.965 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 31.4 t70 -68.35 -35.0 77.09 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 115.77 -0.65 . . . . 1.91 110.19 177.507 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 39.5 tt0 -68.64 -42.78 77.54 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 115.568 -0.742 . . . . 1.38 109.869 178.307 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . 0.462 ' O ' ' HG3' ' A' ' 24' ' ' LYS . 48.7 tp -60.63 -44.71 96.04 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 115.919 -0.582 . . . . 1.07 110.699 174.17 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 6.0 tp-100 -59.52 -51.12 71.22 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-O 121.009 0.433 . . . . 2.82 110.481 178.692 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 62.3 ttp180 -52.64 -51.05 61.85 Favored 'General case' 0 C--O 1.234 0.245 0 CA-C-N 115.522 -0.763 . . . . 2.99 109.939 177.198 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 27.5 t60 -55.32 -48.06 74.73 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.286 -0.87 . . . . 0.24 111.047 178.195 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 24' ' ' LYS . . . . . 0.462 ' HG3' ' O ' ' A' ' 20' ' ' LEU . 52.9 mtmt -60.78 -25.2 66.35 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.652 0.263 . . . . 2.01 111.407 -176.675 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 91.8 mtt180 -73.56 3.28 6.42 Favored 'General case' 0 N--CA 1.45 -0.473 0 C-N-CA 120.958 -0.297 . . . . 3.37 111.511 179.643 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 70.7 p -90.51 -24.42 20.65 Favored 'General case' 0 N--CA 1.454 -0.272 0 N-CA-C 109.822 -0.436 . . . . 1.25 109.822 170.022 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 97.7 m-70 . . . . . 0 CA--C 1.52 -0.18 0 N-CA-C 109.263 -0.643 . . . . 0.43 109.263 175.815 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 36.8 t . . . . . 0 N--CA 1.452 -0.369 0 CA-C-O 120.875 0.369 . . . . 0.19 110.45 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 12.6 p -88.99 33.14 0.79 Allowed 'General case' 0 C--N 1.322 -0.628 0 CA-C-N 116.162 -0.472 . . . . 1.85 111.76 -177.471 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 7' ' ' TRP . . . . . . . . . . . . . 40.7 t-105 . . . . . 0 C--N 1.329 -0.305 0 N-CA-C 109.306 -0.627 . . . . 0.76 109.306 175.476 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.366 0 N-CA-C 113.555 0.182 . . . . 0.97 113.555 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 10.0 t -109.34 -79.97 0.58 Allowed 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 117.202 0.501 . . . . 0.46 110.245 178.344 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 66.55 29.66 75.16 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.692 -0.766 . . . . 0.28 113.191 177.038 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 62.7 tttp -80.24 129.79 34.75 Favored 'General case' 0 C--N 1.327 -0.381 0 N-CA-C 109.449 -0.575 . . . . 2.63 109.449 176.5 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 76.1 mtm180 -104.65 144.14 32.13 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-N 116.094 -0.503 . . . . 3.71 111.583 -173.671 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 65.1 m-85 -133.59 160.26 38.01 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.572 -0.74 . . . . 0.34 110.346 -177.9 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 1.1 p -106.25 -7.03 18.01 Favored 'General case' 0 C--N 1.321 -0.669 0 CA-C-O 121.461 0.648 . . . . 1.79 110.154 172.624 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 19.0 mmm180 -122.08 129.18 52.16 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 115.311 -0.859 . . . . 4.85 110.929 179.562 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 9.2 p -67.29 -32.68 73.83 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.327 -0.851 . . . . 1.36 110.834 -179.445 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 7.1 p-10 -67.17 -36.04 80.95 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.101 -0.499 . . . . 1.91 110.18 177.767 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 19.4 mm-40 -63.11 -47.3 83.39 Favored 'General case' 0 CA--C 1.518 -0.281 0 CA-C-N 115.961 -0.563 . . . . 1.38 110.245 174.36 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 56.0 tp -59.39 -45.4 91.58 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.2 -0.455 . . . . 1.07 111.194 178.087 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 21' ' ' GLN . . . . . 0.401 ' O ' ' HG3' ' A' ' 25' ' ' ARG . 78.3 mt-30 -62.44 -50.83 69.91 Favored 'General case' 0 C--O 1.239 0.507 0 CA-C-O 120.814 0.34 . . . . 2.82 111.142 -179.682 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 13.4 ttp180 -58.78 -41.77 87.44 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.211 -0.45 . . . . 2.99 109.883 177.944 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 35.2 t60 -59.1 -46.29 88.68 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 115.545 -0.752 . . . . 0.24 110.67 177.881 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 55.6 mttm -57.11 -28.22 62.48 Favored 'General case' 0 C--O 1.237 0.447 0 CA-C-O 120.945 0.402 . . . . 2.01 111.019 179.481 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 25' ' ' ARG . . . . . 0.401 ' HG3' ' O ' ' A' ' 21' ' ' GLN . 89.1 mtt180 -65.61 -15.82 63.11 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.09 -0.504 . . . . 3.37 111.282 179.556 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 43.7 p -85.61 -10.27 56.07 Favored 'General case' 0 C--N 1.333 -0.142 0 CA-C-O 120.809 0.338 . . . . 1.25 111.024 178.606 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 97.1 m-70 . . . . . 0 C--N 1.33 -0.263 0 CA-C-O 121.327 0.585 . . . . 0.43 109.583 173.41 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 48.8 t . . . . . 0 N--CA 1.448 -0.564 0 CA-C-O 120.985 0.421 . . . . 0.19 110.097 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 15.0 p -84.31 39.42 0.72 Allowed 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 115.529 -0.76 . . . . 1.85 111.279 -179.406 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 7' ' ' TRP . . . . . . . . . . . . . 5.1 t-105 . . . . . 0 C--N 1.327 -0.397 0 CA-C-N 116.209 -0.45 . . . . 0.76 110.552 -177.597 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.414 0 N-CA-C 113.242 0.057 . . . . 0.97 113.242 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 10' ' ' CYS . . . . . 0.684 ' SG ' ' HD3' ' A' ' 12' ' ' LYS . 34.3 t -79.82 -58.71 3.04 Favored 'General case' 0 C--N 1.321 -0.634 0 N-CA-C 109.603 -0.517 . . . . 0.46 109.603 176.76 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 79.8 4.21 89.39 Favored Glycine 0 N--CA 1.451 -0.362 0 N-CA-C 114.873 0.709 . . . . 0.28 114.873 167.645 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 12' ' ' LYS . . . . . 0.684 ' HD3' ' SG ' ' A' ' 10' ' ' CYS . 13.8 mptt -71.25 125.37 26.77 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 117.698 0.749 . . . . 2.63 110.178 179.474 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 35.1 mtp85 -102.99 143.76 32.14 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-O 121.093 0.473 . . . . 3.71 111.182 -177.432 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 59.8 m-85 -137.73 153.64 49.72 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-N 115.658 -0.701 . . . . 0.34 109.682 -179.803 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 11.5 p -102.44 5.71 39.75 Favored 'General case' 0 C--N 1.319 -0.741 0 CA-C-O 120.99 0.424 . . . . 1.79 110.914 177.988 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 46.8 mtp180 -136.12 134.06 37.92 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 115.883 -0.599 . . . . 4.85 110.162 -179.857 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 22.5 p -67.09 -33.76 76.18 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.886 -0.597 . . . . 1.36 110.606 -178.966 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 19.1 t70 -65.71 -35.82 81.84 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.715 -0.675 . . . . 1.91 110.202 176.38 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . 0.48 ' OE2' ' HD3' ' A' ' 22' ' ' ARG . 8.3 tp10 -68.64 -41.13 79.84 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 115.47 -0.786 . . . . 1.38 109.574 179.081 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . 0.425 ' O ' ' HG2' ' A' ' 24' ' ' LYS . 60.3 tp -61.89 -48.78 78.96 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.737 -0.665 . . . . 1.07 110.781 175.706 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 21' ' ' GLN . . . . . 0.497 ' O ' ' HG3' ' A' ' 25' ' ' ARG . 15.3 mm100 -59.93 -46.63 88.77 Favored 'General case' 0 C--O 1.236 0.348 0 CA-C-O 120.958 0.408 . . . . 2.82 110.738 178.644 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 22' ' ' ARG . . . . . 0.48 ' HD3' ' OE2' ' A' ' 19' ' ' GLU . 74.8 ttt180 -51.02 -53.0 37.31 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.425 -0.807 . . . . 2.99 109.89 175.309 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 41.3 t60 -57.86 -45.51 86.18 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 115.389 -0.823 . . . . 0.24 110.872 178.308 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 24' ' ' LYS . . . . . 0.425 ' HG2' ' O ' ' A' ' 20' ' ' LEU . 71.2 mmtt -55.24 -29.54 58.25 Favored 'General case' 0 C--O 1.237 0.432 0 CA-C-O 120.685 0.279 . . . . 2.01 111.177 -178.885 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 25' ' ' ARG . . . . . 0.497 ' HG3' ' O ' ' A' ' 21' ' ' GLN . 74.9 mtp180 -64.71 -13.39 54.38 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.3 -0.409 . . . . 3.37 111.691 -178.286 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 80.3 p -78.8 -33.07 46.51 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.847 0.356 . . . . 1.25 110.166 175.175 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 96.7 m-70 . . . . . 0 CA--C 1.517 -0.296 0 CA-C-O 121.362 0.601 . . . . 0.43 109.483 177.605 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 42.8 t . . . . . 0 N--CA 1.447 -0.583 0 CA-C-O 120.891 0.377 . . . . 0.19 110.133 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 8.3 p -87.23 39.39 0.86 Allowed 'General case' 0 C--N 1.32 -0.677 0 CA-C-N 116.115 -0.493 . . . . 1.85 111.237 -179.105 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 7' ' ' TRP . . . . . . . . . . . . . 39.9 t-105 . . . . . 0 N--CA 1.45 -0.452 0 N-CA-C 108.881 -0.785 . . . . 0.76 108.881 174.744 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.446 -0.665 0 CA-C-O 120.375 -0.125 . . . . 0.97 112.884 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 37.9 t -116.22 -83.04 0.63 Allowed 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 117.215 0.508 . . . . 0.46 111.042 177.516 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 70.34 40.82 69.2 Favored Glycine 0 C--N 1.331 0.254 0 C-N-CA 120.699 -0.762 . . . . 0.28 112.737 -179.904 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 14.4 tptp -90.12 126.83 35.93 Favored 'General case' 0 C--N 1.324 -0.526 0 N-CA-C 109.24 -0.652 . . . . 2.63 109.24 176.856 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 34.3 ttt180 -110.41 136.87 48.9 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-O 121.001 0.429 . . . . 3.71 111.291 -173.347 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 59.1 m-85 -133.12 168.08 19.16 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.81 -0.632 . . . . 0.34 110.127 -177.234 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 3.4 p -115.48 0.37 13.34 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-O 121.074 0.464 . . . . 1.79 111.278 177.41 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 23.5 mmm180 -130.18 137.98 50.37 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.994 -0.548 . . . . 4.85 111.026 -179.877 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 5.9 p -66.32 -40.55 90.01 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.263 -0.881 . . . . 1.36 110.915 -178.684 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 31.9 m-20 -61.39 -33.86 74.38 Favored 'General case' 0 CA--C 1.518 -0.287 0 CA-C-N 115.973 -0.558 . . . . 1.91 110.07 178.349 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 5.4 tp10 -68.76 -48.78 62.87 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 115.214 -0.903 . . . . 1.38 109.66 -179.868 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 56.9 tp -59.97 -42.86 95.05 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 115.851 -0.613 . . . . 1.07 110.891 177.81 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 79.5 mm-40 -60.49 -50.04 75.14 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.734 0.302 . . . . 2.82 111.107 179.329 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 79.5 ttt180 -57.87 -45.24 86.63 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.148 -0.478 . . . . 2.99 109.801 178.21 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 43.1 t60 -60.35 -44.66 95.34 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.578 -0.737 . . . . 0.24 110.961 178.949 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 69.6 mmtt -54.96 -30.09 58.16 Favored 'General case' 0 C--O 1.236 0.386 0 CA-C-O 120.893 0.378 . . . . 2.01 111.025 -179.448 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 85.2 mtt180 -79.68 13.0 2.26 Favored 'General case' 0 N--CA 1.449 -0.51 0 CA-C-N 115.979 -0.555 . . . . 3.37 111.953 -177.71 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 61.9 p -93.11 -33.36 14.09 Favored 'General case' 0 C--N 1.33 -0.267 0 N-CA-C 109.179 -0.675 . . . . 1.25 109.179 166.732 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 96.5 m-70 . . . . . 0 C--N 1.331 -0.196 0 N-CA-C 108.989 -0.745 . . . . 0.43 108.989 175.658 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 42.8 t . . . . . 0 N--CA 1.447 -0.617 0 CA-C-O 121.075 0.464 . . . . 0.19 110.28 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 3.3 m -84.17 30.65 0.52 Allowed 'General case' 0 C--N 1.322 -0.592 0 CA-C-N 115.63 -0.714 . . . . 1.85 110.963 -177.804 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 7' ' ' TRP . . . . . . . . . . . . . 32.2 t-105 . . . . . 0 N--CA 1.45 -0.47 0 N-CA-C 108.89 -0.782 . . . . 0.76 108.89 175.714 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.431 0 N-CA-C 113.451 0.14 . . . . 0.97 113.451 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 19.9 t -99.4 -81.2 0.46 Allowed 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 117.185 0.493 . . . . 0.46 110.829 -178.961 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 67.97 37.59 87.94 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.339 -0.934 . . . . 0.28 112.753 178.439 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 50.7 tptt -83.26 131.61 35.08 Favored 'General case' 0 C--N 1.324 -0.504 0 N-CA-C 109.093 -0.706 . . . . 2.63 109.093 175.422 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 87.9 mtm180 -108.72 146.11 34.03 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-O 121.216 0.531 . . . . 3.71 112.034 -173.044 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 64.9 m-85 -142.03 167.78 21.3 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.262 -0.881 . . . . 0.34 109.919 -178.685 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 7.4 m -120.84 -2.71 9.76 Favored 'General case' 0 C--N 1.32 -0.704 0 CA-C-O 121.533 0.682 . . . . 1.79 109.841 174.945 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 30.7 mmt180 -121.94 132.89 54.79 Favored 'General case' 0 C--O 1.237 0.433 0 CA-C-N 115.708 -0.678 . . . . 4.85 110.605 179.04 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 6.7 p -69.41 -38.55 77.98 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.246 -0.888 . . . . 1.36 111.833 -174.143 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 14.0 m-20 -69.44 -28.21 65.92 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.306 -0.406 . . . . 1.91 110.195 178.11 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 8.5 tp10 -70.95 -46.33 62.59 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.673 -0.694 . . . . 1.38 109.515 178.172 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 47.5 tp -59.34 -40.93 87.97 Favored 'General case' 0 C--O 1.223 -0.339 0 CA-C-N 116.091 -0.504 . . . . 1.07 110.363 173.51 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 33.6 tt0 -58.64 -49.95 75.62 Favored 'General case' 0 C--O 1.239 0.505 0 CA-C-N 116.224 -0.444 . . . . 2.82 110.95 177.788 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 22' ' ' ARG . . . . . 0.402 HH12 ' HD2' ' A' ' 22' ' ' ARG . 38.9 ttm180 -54.7 -49.51 70.53 Favored 'General case' 0 CA--C 1.519 -0.246 0 CA-C-N 115.83 -0.623 . . . . 2.99 109.908 176.032 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 45.3 t60 -57.62 -40.84 80.06 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 115.307 -0.861 . . . . 0.24 111.062 179.432 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 70.9 mmtt -60.79 -32.91 72.24 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-O 120.85 0.357 . . . . 2.01 110.475 177.717 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 98.8 mtt180 -69.93 -10.33 58.16 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.185 -0.461 . . . . 3.37 110.605 178.143 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 11.9 m -82.7 -20.84 35.33 Favored 'General case' 0 CA--C 1.535 0.386 0 CA-C-N 116.09 -0.505 . . . . 1.25 110.335 175.665 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 97.6 m-70 . . . . . 0 CA--C 1.522 -0.122 0 N-CA-C 109.202 -0.666 . . . . 0.43 109.202 172.608 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 26.7 t . . . . . 0 N--CA 1.447 -0.609 0 CA-C-O 120.753 0.311 . . . . 0.19 110.239 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 21.0 p -84.38 35.52 0.55 Allowed 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 116.393 -0.367 . . . . 1.85 111.713 -178.386 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 7' ' ' TRP . . . . . . . . . . . . . 47.1 t-105 . . . . . 0 N--CA 1.449 -0.492 0 N-CA-C 108.636 -0.876 . . . . 0.76 108.636 174.669 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.446 -0.646 0 N-CA-C 113.001 -0.04 . . . . 0.97 113.001 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 46.0 t -105.78 -80.62 0.55 Allowed 'General case' 0 C--N 1.324 -0.54 0 O-C-N 122.765 -0.256 . . . . 0.46 110.726 -179.602 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 66.79 36.18 90.78 Favored Glycine 0 CA--C 1.519 0.303 0 C-N-CA 120.753 -0.737 . . . . 0.28 113.054 178.863 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 22.6 tptm -85.13 123.87 31.15 Favored 'General case' 0 C--N 1.323 -0.55 0 N-CA-C 110.12 -0.326 . . . . 2.63 110.12 179.615 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 73.3 mtm180 -97.82 141.1 31.22 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-O 120.829 0.347 . . . . 3.71 111.689 -175.297 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 71.2 m-85 -133.33 158.93 41.74 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.003 -0.544 . . . . 0.34 110.332 177.527 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 11.1 m -104.98 -7.17 19.44 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-O 121.576 0.703 . . . . 1.79 110.107 177.952 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 21.1 mmt180 -122.35 131.04 53.7 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.663 -0.699 . . . . 4.85 110.16 178.844 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 6.9 m -65.57 -38.23 88.96 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 115.968 -0.56 . . . . 1.36 111.36 -177.151 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 4.7 p-10 -69.31 -27.85 65.74 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.391 -0.368 . . . . 1.91 110.44 179.238 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . 0.404 ' OE2' ' HD3' ' A' ' 22' ' ' ARG . 9.5 tp10 -69.31 -42.04 75.92 Favored 'General case' 0 C--N 1.323 -0.556 0 N-CA-C 109.387 -0.597 . . . . 1.38 109.387 175.392 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 54.0 tp -62.84 -45.71 91.31 Favored 'General case' 0 C--N 1.332 -0.17 0 CA-C-N 115.844 -0.616 . . . . 1.07 110.76 175.471 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 98.3 mt-30 -60.4 -46.11 91.15 Favored 'General case' 0 C--O 1.237 0.419 0 CA-C-O 121.102 0.477 . . . . 2.82 110.542 177.747 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 22' ' ' ARG . . . . . 0.404 ' HD3' ' OE2' ' A' ' 19' ' ' GLU . 57.0 ttt180 -54.01 -46.23 71.72 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.291 -0.868 . . . . 2.99 110.174 174.666 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 50.8 t60 -63.65 -44.94 92.35 Favored 'General case' 0 C--N 1.321 -0.64 0 CA-C-N 115.272 -0.877 . . . . 0.24 111.278 179.994 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 70.9 mmtt -54.54 -27.3 37.51 Favored 'General case' 0 C--O 1.236 0.387 0 CA-C-N 116.441 -0.345 . . . . 2.01 111.515 -178.14 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 82.8 mtp180 -61.44 -16.72 49.59 Favored 'General case' 0 CA--C 1.53 0.204 0 CA-C-N 116.233 -0.44 . . . . 3.37 111.644 -179.385 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 67.7 p -78.64 -32.22 47.21 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 120.734 0.302 . . . . 1.25 111.297 179.519 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 97.3 m-70 . . . . . 0 C--N 1.331 -0.222 0 CA-C-O 121.015 0.436 . . . . 0.43 110.677 -178.19 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 62.2 ttt180 . . . . . 0 N--CA 1.48 1.034 0 CA-C-O 120.477 0.179 . . . . 4.86 110.559 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 85.5 Cg_endo -83.35 146.63 12.44 Favored 'Trans proline' 0 N--CA 1.456 -0.708 0 C-N-CA 122.307 2.004 . . . . 1.32 111.617 175.891 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' PHE . . . . . 0.423 ' CZ ' ' HB3' ' A' ' 17' ' ' SER . 96.9 m-85 -103.9 129.76 51.45 Favored 'General case' 0 C--N 1.318 -0.782 0 N-CA-C 110.059 -0.349 . . . . 0.73 110.059 -179.528 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' NLE . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 42.3 t -80.61 103.93 10.79 Favored 'General case' 0 C--N 1.317 -0.834 0 CA-C-N 115.507 -0.77 . . . . 0.19 110.523 176.363 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 19.9 p -90.55 38.63 0.95 Allowed 'General case' 0 C--N 1.323 -0.58 0 CA-C-N 115.979 -0.555 . . . . 1.85 111.329 -179.322 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' TRP . . . . . . . . . . . . . 54.0 t-105 -74.42 158.94 33.0 Favored 'General case' 0 N--CA 1.452 -0.352 0 N-CA-C 109.271 -0.64 . . . . 0.76 109.271 174.738 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' AIB . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.541 0.632 0 O-C-N 124.041 0.838 . . . . 1.43 110.715 179.03 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 66.53 45.38 85.59 Favored Glycine 0 N--CA 1.449 -0.474 0 CA-C-N 116.356 -0.384 . . . . 0.97 113.516 174.935 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 31.9 t -113.11 -73.52 0.66 Allowed 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 117.078 0.439 . . . . 0.46 110.425 177.107 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 65.15 36.27 92.72 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.898 -0.668 . . . . 0.28 113.601 175.414 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 57.5 tttp -90.46 135.05 33.94 Favored 'General case' 0 C--N 1.325 -0.493 0 N-CA-C 109.51 -0.552 . . . . 2.63 109.51 175.65 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 30.1 mtm180 -110.17 146.11 36.09 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-O 121.104 0.478 . . . . 3.71 112.112 -172.497 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 54.3 m-85 -137.71 155.43 49.1 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.233 -0.894 . . . . 0.34 109.726 -179.436 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 10.2 m -98.57 -11.3 22.3 Favored 'General case' 0 C--N 1.321 -0.654 0 CA-C-O 121.508 0.671 . . . . 1.79 109.927 176.558 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 19.5 mmm180 -116.13 133.86 55.57 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 115.519 -0.764 . . . . 4.85 110.915 178.765 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' SER . . . . . 0.423 ' HB3' ' CZ ' ' A' ' 3' ' ' PHE . 19.6 p -67.08 -36.52 82.18 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.49 -0.777 . . . . 1.36 110.71 -179.801 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 6.9 p-10 -64.39 -35.12 79.85 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.681 -0.69 . . . . 1.91 110.223 177.422 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 41.9 mm-40 -63.33 -46.61 85.85 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.924 -0.58 . . . . 1.38 110.647 174.857 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 56.8 tp -60.57 -47.75 84.83 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.15 -0.477 . . . . 1.07 111.226 178.821 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' GLN . . . . . 0.471 ' O ' ' HG3' ' A' ' 25' ' ' ARG . 64.8 mm-40 -63.83 -46.64 84.13 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.879 0.371 . . . . 2.82 110.473 -179.068 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 51.5 ttt180 -52.36 -50.69 61.86 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 115.644 -0.707 . . . . 2.99 110.153 175.266 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 31.3 t60 -58.13 -46.6 85.34 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 115.166 -0.925 . . . . 0.24 111.014 178.638 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 30.3 mmtp -56.14 -28.42 57.92 Favored 'General case' 0 C--O 1.238 0.474 0 CA-C-O 120.827 0.346 . . . . 2.01 111.726 -178.697 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . 0.471 ' HG3' ' O ' ' A' ' 21' ' ' GLN . 66.0 mtp180 -64.2 -18.56 64.62 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.205 -0.452 . . . . 3.37 111.411 -178.36 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 59.2 p -79.34 -22.79 44.0 Favored 'General case' 0 C--N 1.33 -0.26 0 C-N-CA 120.939 -0.304 . . . . 1.25 110.672 178.557 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 92.6 m-70 -81.91 -44.49 16.72 Favored 'General case' 0 CA--C 1.517 -0.319 0 CA-C-O 120.949 0.404 . . . . 0.43 110.103 177.717 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 4.9 p -68.22 -31.63 71.26 Favored 'General case' 0 N--CA 1.45 -0.459 0 CA-C-N 115.772 -0.649 . . . . 2.28 111.273 -178.901 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 105.27 27.72 5.76 Favored Glycine 0 N--CA 1.446 -0.688 0 C-N-CA 120.648 -0.787 . . . . 3.94 112.511 176.069 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . 0.455 ' HB2' ' HB3' ' A' ' 25' ' ' ARG . 41.3 mt-10 -88.4 72.76 8.87 Favored 'General case' 0 C--N 1.321 -0.66 0 CA-C-O 120.875 0.369 . . . . 7.52 110.837 -179.182 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 24.2 pttm -124.48 64.49 1.09 Allowed 'General case' 0 C--N 1.324 -0.533 0 CA-C-O 122.002 0.906 . . . . 9.2 110.308 175.541 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 32' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.32 -0.699 0 CA-C-N 115.576 -0.738 . . . . 6.63 . . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 93.1 mtt180 . . . . . 0 N--CA 1.481 1.105 0 N-CA-C 110.52 -0.178 . . . . 4.86 110.52 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 56.2 Cg_endo -71.85 139.56 33.61 Favored 'Trans proline' 0 N--CA 1.46 -0.485 0 C-N-CA 122.013 1.808 . . . . 1.32 110.79 172.938 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 3' ' ' PHE . . . . . 0.409 ' CE1' ' HB3' ' A' ' 17' ' ' SER . 94.4 m-85 -96.71 128.68 43.89 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-O 120.91 0.386 . . . . 0.73 110.473 -176.08 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 4' ' ' NLE . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 41.1 t -68.39 106.82 2.63 Favored 'General case' 0 C--N 1.318 -0.801 0 CA-C-N 115.646 -0.706 . . . . 0.19 109.8 175.457 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 2.3 m -86.6 18.45 3.34 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-O 121.285 0.564 . . . . 1.85 110.921 -173.854 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 7' ' ' TRP . . . . . . . . . . . . . 33.3 t-105 -65.71 136.38 56.19 Favored 'General case' 0 N--CA 1.452 -0.36 0 N-CA-C 109.401 -0.592 . . . . 0.76 109.401 176.755 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 8' ' ' AIB . . . . . . . . . . . . . . . . . . . . 0 C--N 1.323 -0.553 0 O-C-N 123.882 0.738 . . . . 1.43 110.449 -176.892 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 88.27 6.52 74.45 Favored Glycine 0 N--CA 1.449 -0.478 0 C-N-CA 121.138 -0.553 . . . . 0.97 113.515 174.601 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 11.9 t -103.33 -82.52 0.49 Allowed 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 117.303 0.551 . . . . 0.46 110.811 -179.207 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 71.65 29.0 68.23 Favored Glycine 0 CA--C 1.519 0.297 0 C-N-CA 120.529 -0.843 . . . . 0.28 113.161 179.94 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 14.0 tptp -72.13 125.5 27.45 Favored 'General case' 0 C--N 1.326 -0.456 0 N-CA-C 109.479 -0.563 . . . . 2.63 109.479 177.13 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 14.2 ttm180 -107.11 140.4 40.01 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-O 120.854 0.359 . . . . 3.71 111.479 -173.973 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 63.6 m-85 -136.2 157.73 46.11 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.854 -0.612 . . . . 0.34 110.605 -177.684 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 18.4 m -93.84 -17.49 23.01 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 116.029 -0.532 . . . . 1.79 110.826 178.364 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 29.1 mtm-85 -123.18 145.5 48.57 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 121.132 0.492 . . . . 4.85 110.645 -179.741 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 17' ' ' SER . . . . . 0.409 ' HB3' ' CE1' ' A' ' 3' ' ' PHE . 11.1 p -72.26 -32.17 66.43 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.34 -0.845 . . . . 1.36 111.111 -178.07 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 4.8 p-10 -70.55 -29.25 65.66 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.94 0.4 . . . . 1.91 110.36 179.538 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . 0.489 ' OE2' ' HD3' ' A' ' 22' ' ' ARG . 8.4 tp10 -72.28 -42.39 65.6 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.845 -0.616 . . . . 1.38 109.412 177.596 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 46.7 tp -61.69 -44.32 97.17 Favored 'General case' 0 C--N 1.332 -0.173 0 CA-C-N 115.791 -0.64 . . . . 1.07 110.531 174.271 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 54.4 tp60 -58.98 -47.27 85.76 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.232 -0.44 . . . . 2.82 110.432 177.895 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 22' ' ' ARG . . . . . 0.489 ' HD3' ' OE2' ' A' ' 19' ' ' GLU . 36.2 ttt180 -55.84 -45.95 78.3 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 115.805 -0.634 . . . . 2.99 110.277 176.036 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 47.2 t60 -60.88 -46.28 91.24 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 115.567 -0.742 . . . . 0.24 111.456 179.914 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 64.3 mttm -56.68 -24.96 52.59 Favored 'General case' 0 N--CA 1.466 0.349 0 N-CA-C 111.986 0.365 . . . . 2.01 111.986 -176.337 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 80.9 mtt180 -60.84 -21.05 62.82 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.263 -0.426 . . . . 3.37 111.299 179.573 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 73.7 p -79.61 -20.88 45.77 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 120.767 0.318 . . . . 1.25 111.204 -178.722 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 98.3 m-70 -88.36 -40.58 13.45 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 121.008 0.433 . . . . 0.43 109.902 176.508 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 30.0 p -74.22 -28.11 61.1 Favored 'General case' 0 N--CA 1.452 -0.339 0 CA-C-N 115.919 -0.582 . . . . 2.28 111.183 -178.452 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -99.22 122.75 7.67 Favored Glycine 0 N--CA 1.446 -0.686 0 N-CA-C 111.267 -0.733 . . . . 3.94 111.267 176.598 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 42.3 tt0 -76.86 -43.18 37.08 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-O 120.734 0.302 . . . . 7.52 110.191 -177.529 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 6.2 ptpp? -110.14 68.34 0.67 Allowed 'General case' 0 C--N 1.326 -0.45 0 CA-C-O 121.651 0.738 . . . . 9.2 110.408 176.585 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 32' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.322 -0.595 0 CA-C-N 116.089 -0.505 . . . . 6.63 . . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 10.6 ptp180 . . . . . 0 N--CA 1.479 1.017 0 N-CA-C 109.936 -0.394 . . . . 4.86 109.936 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 8.2 Cg_exo -72.1 134.1 22.58 Favored 'Trans proline' 0 N--CA 1.46 -0.449 0 C-N-CA 122.056 1.837 . . . . 1.32 111.03 173.964 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 91.5 m-85 -87.88 90.75 8.5 Favored 'General case' 0 C--N 1.32 -0.717 0 CA-C-O 121.316 0.579 . . . . 0.73 109.75 -177.476 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 4' ' ' NLE . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 32.2 t -70.14 106.24 3.21 Favored 'General case' 0 C--N 1.321 -0.668 0 CA-C-N 115.713 -0.676 . . . . 0.19 109.781 173.567 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 3.2 m -89.19 34.97 0.79 Allowed 'General case' 0 C--N 1.319 -0.741 0 CA-C-O 121.418 0.627 . . . . 1.85 110.718 -176.756 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 7' ' ' TRP . . . . . . . . . . . . . 36.2 t-105 -74.77 151.34 39.14 Favored 'General case' 0 N--CA 1.451 -0.425 0 N-CA-C 109.106 -0.701 . . . . 0.76 109.106 175.276 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 8' ' ' AIB . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.541 0.627 0 O-C-N 123.864 0.727 . . . . 1.43 110.584 -177.35 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 75.72 13.49 82.98 Favored Glycine 0 N--CA 1.45 -0.411 0 C-N-CA 121.283 -0.484 . . . . 0.97 113.766 174.761 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 11.3 t -95.57 -73.67 0.58 Allowed 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 117.608 0.704 . . . . 0.46 110.52 -179.338 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 61.3 35.6 91.19 Favored Glycine 0 C--N 1.33 0.239 0 C-N-CA 120.78 -0.724 . . . . 0.28 112.837 178.044 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 20.7 tptp -83.93 119.52 24.98 Favored 'General case' 0 C--N 1.322 -0.594 0 N-CA-C 109.207 -0.664 . . . . 2.63 109.207 178.632 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 87.6 mtm180 -100.26 141.21 33.41 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-O 121.057 0.456 . . . . 3.71 111.744 -175.422 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 53.1 m-85 -132.85 155.41 49.05 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 115.58 -0.736 . . . . 0.34 110.154 179.641 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 15.1 t -106.33 11.43 31.0 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-O 121.032 0.444 . . . . 1.79 110.363 177.77 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . 0.421 ' HB2' ' HB2' ' A' ' 19' ' ' GLU . 65.8 mtm180 -134.81 134.24 40.65 Favored 'General case' 0 C--O 1.234 0.281 0 CA-C-N 115.975 -0.557 . . . . 4.85 109.801 177.722 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 2.1 m -64.86 -42.06 95.17 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.726 -0.67 . . . . 1.36 111.182 -176.324 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 7.9 p-10 -70.15 -28.84 65.66 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.87 -0.604 . . . . 1.91 110.518 -179.399 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . 0.421 ' HB2' ' HB2' ' A' ' 16' ' ' ARG . 7.7 tp10 -65.31 -43.5 90.84 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 115.913 -0.585 . . . . 1.38 109.836 178.298 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 41.5 tp -64.37 -43.97 92.82 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.897 -0.592 . . . . 1.07 110.993 176.488 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 19.2 mm-40 -61.43 -44.98 96.18 Favored 'General case' 0 C--O 1.236 0.355 0 CA-C-O 121.049 0.452 . . . . 2.82 110.642 178.996 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 75.6 ttt180 -59.29 -44.6 92.48 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.748 -0.66 . . . . 2.99 110.339 175.632 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 39.9 t60 -59.6 -42.62 92.99 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.848 -0.614 . . . . 0.24 110.981 178.969 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 68.5 mttm -53.63 -28.94 35.6 Favored 'General case' 0 N--CA 1.465 0.307 0 CA-C-O 120.696 0.284 . . . . 2.01 111.446 -179.46 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . 0.506 ' HA ' ' CA ' ' A' ' 29' ' ' GLY . 89.5 mtt180 -68.1 -9.37 45.81 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.283 -0.417 . . . . 3.37 112.058 -177.614 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 72.2 p -82.12 -25.5 34.36 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-O 121.038 0.447 . . . . 1.25 110.264 174.895 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 98.1 m-70 -88.77 -48.86 7.21 Favored 'General case' 0 C--N 1.331 -0.2 0 N-CA-C 109.574 -0.528 . . . . 0.43 109.574 176.455 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 11.9 t -165.64 -35.5 0.03 OUTLIER 'General case' 0 CA--C 1.533 0.315 0 CA-C-N 115.979 -0.555 . . . . 2.28 110.744 -179.082 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . 0.506 ' CA ' ' HA ' ' A' ' 25' ' ' ARG . . . 106.04 -151.37 17.03 Favored Glycine 0 N--CA 1.45 -0.42 0 C-N-CA 120.74 -0.743 . . . . 3.94 113.009 176.095 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 36.7 tt0 -73.32 -38.54 65.78 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-O 121.288 0.566 . . . . 7.52 110.145 -179.049 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 46.6 mmtm -80.35 -73.42 0.36 Allowed 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 115.682 -0.69 . . . . 9.2 110.034 -179.282 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 32' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.322 -0.6 0 CA-C-N 116.357 -0.383 . . . . 6.63 . . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 80.8 mtp180 . . . . . 0 N--CA 1.479 1.013 0 N-CA-C 110.531 -0.174 . . . . 4.86 110.531 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 4.4 Cg_exo -75.38 117.08 4.7 Favored 'Trans proline' 0 N--CA 1.458 -0.584 0 C-N-CA 122.371 2.047 . . . . 1.32 111.122 172.939 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 3' ' ' PHE . . . . . 0.531 ' CZ ' ' HB3' ' A' ' 17' ' ' SER . 97.5 m-85 -94.61 140.89 29.27 Favored 'General case' 0 C--N 1.318 -0.795 0 CA-C-N 116.349 -0.387 . . . . 0.73 110.066 -179.539 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 4' ' ' NLE . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 29.2 t -74.67 101.87 4.42 Favored 'General case' 0 C--N 1.318 -0.764 0 CA-C-N 115.963 -0.562 . . . . 0.19 110.041 175.038 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 3.2 m -88.29 49.55 1.82 Allowed 'General case' 0 C--N 1.321 -0.632 0 CA-C-O 121.541 0.686 . . . . 1.85 110.402 -178.662 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 7' ' ' TRP . . . . . . . . . . . . . 36.6 t-105 -87.21 147.56 25.53 Favored 'General case' 0 C--N 1.326 -0.426 0 N-CA-C 108.645 -0.872 . . . . 0.76 108.645 174.782 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 8' ' ' AIB . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.539 0.555 0 O-C-N 123.833 0.708 . . . . 1.43 110.471 -178.793 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 89.34 39.11 6.46 Favored Glycine 0 N--CA 1.445 -0.726 0 C-N-CA 121.006 -0.616 . . . . 0.97 112.896 175.859 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 18.9 t -129.75 -81.77 0.56 Allowed 'General case' 0 C--N 1.324 -0.536 0 C-N-CA 121.008 -0.277 . . . . 0.46 110.369 177.642 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 65.95 39.19 94.79 Favored Glycine 0 N--CA 1.449 -0.446 0 C-N-CA 120.823 -0.703 . . . . 0.28 113.522 177.361 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 34.9 mmtp -83.35 140.91 32.15 Favored 'General case' 0 C--N 1.325 -0.472 0 N-CA-C 109.94 -0.393 . . . . 2.63 109.94 175.619 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 81.7 mtt180 -109.96 137.72 47.35 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-O 120.79 0.329 . . . . 3.71 111.048 -175.763 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 54.8 m-85 -134.11 153.38 51.86 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 115.912 -0.585 . . . . 0.34 109.968 -178.766 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 7.6 m -100.33 -8.34 23.48 Favored 'General case' 0 C--N 1.321 -0.631 0 CA-C-O 121.53 0.681 . . . . 1.79 109.956 176.636 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . 0.5 ' HB2' ' CB ' ' A' ' 19' ' ' GLU . 70.8 mtt180 -113.61 132.04 55.89 Favored 'General case' 0 C--N 1.322 -0.63 0 CA-C-N 115.627 -0.715 . . . . 4.85 109.914 -179.973 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 17' ' ' SER . . . . . 0.531 ' HB3' ' CZ ' ' A' ' 3' ' ' PHE . 12.0 p -70.55 -33.87 71.61 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-O 121.239 0.542 . . . . 1.36 110.502 179.459 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 6.2 p-10 -73.89 -27.75 61.21 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 115.83 -0.623 . . . . 1.91 110.478 178.541 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . 0.5 ' CB ' ' HB2' ' A' ' 16' ' ' ARG . 7.2 tp10 -68.41 -42.83 78.42 Favored 'General case' 0 C--N 1.329 -0.321 0 N-CA-C 109.554 -0.536 . . . . 1.38 109.554 175.216 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 49.7 tp -60.99 -45.11 96.12 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.006 -0.543 . . . . 1.07 110.652 175.285 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 48.8 mt-30 -58.71 -48.88 79.6 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-O 120.953 0.406 . . . . 2.82 110.419 176.255 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 39.3 ttm180 -56.61 -41.5 77.16 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.443 -0.799 . . . . 2.99 110.291 177.432 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 63.6 t60 -65.78 -44.58 85.39 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 115.465 -0.789 . . . . 0.24 111.149 179.832 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 66.9 mttm -55.66 -27.19 48.58 Favored 'General case' 0 C--O 1.238 0.477 0 CA-C-O 120.794 0.33 . . . . 2.01 111.253 -179.359 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 52.4 mtp180 -62.32 -19.93 63.82 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.18 -0.464 . . . . 3.37 111.371 179.848 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 80.7 p -71.72 -47.67 52.35 Favored 'General case' 0 C--N 1.33 -0.276 0 C-N-CA 121.005 -0.278 . . . . 1.25 110.513 179.826 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 98.7 m-70 -66.83 -37.68 84.97 Favored 'General case' 0 CA--C 1.518 -0.266 0 CA-C-O 121.257 0.551 . . . . 0.43 110.067 -179.12 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 22.2 p -81.69 5.85 17.1 Favored 'General case' 0 N--CA 1.449 -0.493 0 CA-C-N 115.542 -0.754 . . . . 2.28 111.028 -179.607 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -113.02 4.89 25.57 Favored Glycine 0 N--CA 1.446 -0.645 0 CA-C-N 115.892 -0.595 . . . . 3.94 111.858 177.792 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 45.2 mt-10 -92.03 149.57 21.45 Favored 'General case' 0 C--N 1.327 -0.41 0 N-CA-C 110.177 -0.305 . . . . 7.52 110.177 179.06 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 86.2 tttt -114.95 89.98 3.23 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-O 121.31 0.576 . . . . 9.2 109.941 179.41 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 32' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.32 -0.685 0 CA-C-N 116.293 -0.412 . . . . 6.63 . . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 18.0 mmm180 . . . . . 0 N--CA 1.478 0.963 0 CA-C-O 120.65 0.262 . . . . 4.86 111.204 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 94.4 Cg_endo -81.61 147.51 15.63 Favored 'Trans proline' 0 N--CA 1.457 -0.636 0 C-N-CA 122.25 1.967 . . . . 1.32 111.631 175.647 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 3' ' ' PHE . . . . . 0.401 ' CE1' ' HB3' ' A' ' 17' ' ' SER . 96.8 m-85 -117.65 105.05 11.63 Favored 'General case' 0 C--N 1.319 -0.731 0 CA-C-O 120.915 0.388 . . . . 0.73 110.46 -179.612 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 4' ' ' NLE . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 42.9 t -78.5 101.86 7.57 Favored 'General case' 0 C--N 1.32 -0.705 0 CA-C-N 115.735 -0.666 . . . . 0.19 110.111 175.313 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 9.8 p -88.42 34.47 0.75 Allowed 'General case' 0 C--N 1.32 -0.692 0 CA-C-N 115.724 -0.671 . . . . 1.85 111.449 -178.281 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 7' ' ' TRP . . . . . . . . . . . . . 54.0 t-105 -68.56 149.05 49.66 Favored 'General case' 0 N--CA 1.452 -0.348 0 N-CA-C 109.247 -0.649 . . . . 0.76 109.247 174.882 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 8' ' ' AIB . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.539 0.549 0 O-C-N 124.115 0.884 . . . . 1.43 110.462 -178.116 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 83.43 26.49 43.02 Favored Glycine 0 N--CA 1.447 -0.613 0 C-N-CA 121.294 -0.479 . . . . 0.97 113.354 174.61 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 19.1 t -108.37 -84.29 0.54 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 117.264 0.532 . . . . 0.46 111.005 178.819 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 73.43 35.32 56.31 Favored Glycine 0 CA--C 1.519 0.327 0 C-N-CA 120.474 -0.87 . . . . 0.28 112.944 179.909 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 15.5 tptp -84.37 125.02 31.92 Favored 'General case' 0 C--N 1.324 -0.505 0 N-CA-C 109.151 -0.685 . . . . 2.63 109.151 176.246 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 53.2 mtt180 -107.51 140.02 41.13 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-O 121.054 0.454 . . . . 3.71 111.856 -174.564 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 47.0 m-85 -134.81 171.67 14.06 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.542 -0.754 . . . . 0.34 109.914 -178.546 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 19.0 m -108.99 -11.58 14.95 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 121.359 0.599 . . . . 1.79 110.383 175.983 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 86.0 mtm180 -120.1 132.41 55.42 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-N 116.053 -0.521 . . . . 4.85 110.793 -176.26 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 17' ' ' SER . . . . . 0.401 ' HB3' ' CE1' ' A' ' 3' ' ' PHE . 13.5 p -66.43 -34.9 78.98 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.46 -0.791 . . . . 1.36 110.866 -177.965 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 31.4 t70 -68.35 -35.0 77.09 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 115.77 -0.65 . . . . 1.91 110.19 177.507 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 39.5 tt0 -68.64 -42.78 77.54 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 115.568 -0.742 . . . . 1.38 109.869 178.307 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . 0.462 ' O ' ' HG3' ' A' ' 24' ' ' LYS . 48.7 tp -60.63 -44.71 96.04 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 115.919 -0.582 . . . . 1.07 110.699 174.17 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 6.0 tp-100 -59.52 -51.12 71.22 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-O 121.009 0.433 . . . . 2.82 110.481 178.692 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 62.3 ttp180 -52.64 -51.05 61.85 Favored 'General case' 0 C--O 1.234 0.245 0 CA-C-N 115.522 -0.763 . . . . 2.99 109.939 177.198 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 27.5 t60 -55.32 -48.06 74.73 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.286 -0.87 . . . . 0.24 111.047 178.195 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . 0.462 ' HG3' ' O ' ' A' ' 20' ' ' LEU . 52.9 mtmt -60.78 -25.2 66.35 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.652 0.263 . . . . 2.01 111.407 -176.675 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 91.8 mtt180 -73.56 3.28 6.42 Favored 'General case' 0 N--CA 1.45 -0.473 0 C-N-CA 120.958 -0.297 . . . . 3.37 111.511 179.643 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 70.7 p -90.51 -24.42 20.65 Favored 'General case' 0 N--CA 1.454 -0.272 0 N-CA-C 109.822 -0.436 . . . . 1.25 109.822 170.022 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 97.7 m-70 -83.89 -53.93 5.24 Favored 'General case' 0 CA--C 1.52 -0.18 0 N-CA-C 109.263 -0.643 . . . . 0.43 109.263 175.815 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 30.9 p -90.33 113.86 25.81 Favored 'General case' 0 N--CA 1.449 -0.49 0 CA-C-N 115.587 -0.733 . . . . 2.28 111.221 -176.636 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -83.78 89.51 1.55 Allowed Glycine 0 N--CA 1.448 -0.522 0 N-CA-C 111.339 -0.705 . . . . 3.94 111.339 176.291 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 37.8 mt-10 -68.9 166.36 17.95 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-O 120.701 0.286 . . . . 7.52 111.401 -175.499 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 86.3 tttt 60.51 82.75 0.15 Allowed 'General case' 0 C--O 1.233 0.237 0 CA-C-N 115.429 -0.805 . . . . 9.2 110.917 179.494 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 32' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.32 -0.709 0 CA-C-N 115.613 -0.721 . . . . 6.63 . . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 75.4 mtm180 . . . . . 0 N--CA 1.477 0.916 0 N-CA-C 110.195 -0.298 . . . . 4.86 110.195 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 8.1 Cg_exo -72.54 124.76 10.07 Favored 'Trans proline' 0 C--O 1.236 0.389 0 C-N-CA 122.245 1.963 . . . . 1.32 111.779 175.894 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 3' ' ' PHE . . . . . 0.511 ' CZ ' ' HB3' ' A' ' 17' ' ' SER . 96.1 m-85 -108.0 146.57 32.3 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 116.36 -0.382 . . . . 0.73 110.101 179.191 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 4' ' ' NLE . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 36.8 t -82.85 106.11 14.42 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 115.776 -0.647 . . . . 0.19 110.45 176.865 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 12.6 p -88.99 33.14 0.79 Allowed 'General case' 0 C--N 1.322 -0.628 0 CA-C-N 116.162 -0.472 . . . . 1.85 111.76 -177.471 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 7' ' ' TRP . . . . . . . . . . . . . 40.7 t-105 -72.36 149.64 44.17 Favored 'General case' 0 C--N 1.329 -0.305 0 N-CA-C 109.306 -0.627 . . . . 0.76 109.306 175.476 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 8' ' ' AIB . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.541 0.601 0 O-C-N 123.829 0.706 . . . . 1.43 110.672 -178.005 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 76.72 28.06 59.84 Favored Glycine 0 N--CA 1.451 -0.366 0 C-N-CA 121.317 -0.468 . . . . 0.97 113.555 174.691 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 10.0 t -109.34 -79.97 0.58 Allowed 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 117.202 0.501 . . . . 0.46 110.245 178.344 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 66.55 29.66 75.16 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.692 -0.766 . . . . 0.28 113.191 177.038 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 62.7 tttp -80.24 129.79 34.75 Favored 'General case' 0 C--N 1.327 -0.381 0 N-CA-C 109.449 -0.575 . . . . 2.63 109.449 176.5 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 76.1 mtm180 -104.65 144.14 32.13 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-N 116.094 -0.503 . . . . 3.71 111.583 -173.671 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 65.1 m-85 -133.59 160.26 38.01 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.572 -0.74 . . . . 0.34 110.346 -177.9 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 1.1 p -106.25 -7.03 18.01 Favored 'General case' 0 C--N 1.321 -0.669 0 CA-C-O 121.461 0.648 . . . . 1.79 110.154 172.624 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 19.0 mmm180 -122.08 129.18 52.16 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 115.311 -0.859 . . . . 4.85 110.929 179.562 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 17' ' ' SER . . . . . 0.511 ' HB3' ' CZ ' ' A' ' 3' ' ' PHE . 9.2 p -67.29 -32.68 73.83 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.327 -0.851 . . . . 1.36 110.834 -179.445 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 7.1 p-10 -67.17 -36.04 80.95 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.101 -0.499 . . . . 1.91 110.18 177.767 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 19.4 mm-40 -63.11 -47.3 83.39 Favored 'General case' 0 CA--C 1.518 -0.281 0 CA-C-N 115.961 -0.563 . . . . 1.38 110.245 174.36 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 56.0 tp -59.39 -45.4 91.58 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.2 -0.455 . . . . 1.07 111.194 178.087 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 21' ' ' GLN . . . . . 0.401 ' O ' ' HG3' ' A' ' 25' ' ' ARG . 78.3 mt-30 -62.44 -50.83 69.91 Favored 'General case' 0 C--O 1.239 0.507 0 CA-C-O 120.814 0.34 . . . . 2.82 111.142 -179.682 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 13.4 ttp180 -58.78 -41.77 87.44 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.211 -0.45 . . . . 2.99 109.883 177.944 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 35.2 t60 -59.1 -46.29 88.68 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 115.545 -0.752 . . . . 0.24 110.67 177.881 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 55.6 mttm -57.11 -28.22 62.48 Favored 'General case' 0 C--O 1.237 0.447 0 CA-C-O 120.945 0.402 . . . . 2.01 111.019 179.481 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . 0.401 ' HG3' ' O ' ' A' ' 21' ' ' GLN . 89.1 mtt180 -65.61 -15.82 63.11 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.09 -0.504 . . . . 3.37 111.282 179.556 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 43.7 p -85.61 -10.27 56.07 Favored 'General case' 0 C--N 1.333 -0.142 0 CA-C-O 120.809 0.338 . . . . 1.25 111.024 178.606 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 97.1 m-70 -97.38 -47.14 5.81 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 121.327 0.585 . . . . 0.43 109.583 173.41 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 19.6 p -75.15 -36.47 61.55 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 115.529 -0.76 . . . . 2.28 111.798 -176.73 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -125.57 74.46 0.41 Allowed Glycine 0 N--CA 1.448 -0.508 0 C-N-CA 120.6 -0.809 . . . . 3.94 112.43 -177.993 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 44.1 mt-10 -79.57 -51.73 8.91 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-O 121.262 0.553 . . . . 7.52 109.724 177.879 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 55.5 tttm -151.82 87.05 1.33 Allowed 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 115.515 -0.766 . . . . 9.2 109.547 178.307 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 32' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.319 -0.731 0 CA-C-N 116.158 -0.474 . . . . 6.63 . . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 3.9 mmp_? . . . . . 0 N--CA 1.479 0.993 0 N-CA-C 110.044 -0.354 . . . . 4.86 110.044 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 95.4 Cg_endo -79.39 148.22 20.8 Favored 'Trans proline' 0 N--CA 1.459 -0.519 0 C-N-CA 122.226 1.95 . . . . 1.32 111.9 177.217 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 3' ' ' PHE . . . . . 0.41 ' CZ ' ' HB3' ' A' ' 17' ' ' SER . 99.2 m-85 -115.46 141.6 47.83 Favored 'General case' 0 C--N 1.321 -0.655 0 CA-C-N 116.189 -0.46 . . . . 0.73 110.092 -179.504 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 4' ' ' NLE . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 48.8 t -78.86 95.83 5.5 Favored 'General case' 0 C--N 1.321 -0.665 0 CA-C-O 120.985 0.421 . . . . 0.19 110.097 177.123 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 15.0 p -84.31 39.42 0.72 Allowed 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 115.529 -0.76 . . . . 1.85 111.279 -179.406 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 7' ' ' TRP . . . . . . . . . . . . . 5.1 t-105 -86.4 87.03 7.35 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.209 -0.45 . . . . 0.76 110.552 -177.597 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 8' ' ' AIB . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.475 0.776 0 O-C-N 124.061 0.851 . . . . 1.43 111.714 173.156 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 87.82 30.92 16.55 Favored Glycine 0 N--CA 1.45 -0.414 0 C-N-CA 120.56 -0.828 . . . . 0.97 113.242 175.388 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 10' ' ' CYS . . . . . 0.684 ' SG ' ' HD3' ' A' ' 12' ' ' LYS . 34.3 t -79.82 -58.71 3.04 Favored 'General case' 0 C--N 1.321 -0.634 0 N-CA-C 109.603 -0.517 . . . . 0.46 109.603 176.76 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 79.8 4.21 89.39 Favored Glycine 0 N--CA 1.451 -0.362 0 N-CA-C 114.873 0.709 . . . . 0.28 114.873 167.645 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . 0.684 ' HD3' ' SG ' ' A' ' 10' ' ' CYS . 13.8 mptt -71.25 125.37 26.77 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 117.698 0.749 . . . . 2.63 110.178 179.474 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 35.1 mtp85 -102.99 143.76 32.14 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-O 121.093 0.473 . . . . 3.71 111.182 -177.432 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 59.8 m-85 -137.73 153.64 49.72 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-N 115.658 -0.701 . . . . 0.34 109.682 -179.803 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 11.5 p -102.44 5.71 39.75 Favored 'General case' 0 C--N 1.319 -0.741 0 CA-C-O 120.99 0.424 . . . . 1.79 110.914 177.988 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 46.8 mtp180 -136.12 134.06 37.92 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 115.883 -0.599 . . . . 4.85 110.162 -179.857 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 17' ' ' SER . . . . . 0.41 ' HB3' ' CZ ' ' A' ' 3' ' ' PHE . 22.5 p -67.09 -33.76 76.18 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.886 -0.597 . . . . 1.36 110.606 -178.966 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 19.1 t70 -65.71 -35.82 81.84 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.715 -0.675 . . . . 1.91 110.202 176.38 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . 0.48 ' OE2' ' HD3' ' A' ' 22' ' ' ARG . 8.3 tp10 -68.64 -41.13 79.84 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 115.47 -0.786 . . . . 1.38 109.574 179.081 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . 0.425 ' O ' ' HG2' ' A' ' 24' ' ' LYS . 60.3 tp -61.89 -48.78 78.96 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.737 -0.665 . . . . 1.07 110.781 175.706 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 21' ' ' GLN . . . . . 0.497 ' O ' ' HG3' ' A' ' 25' ' ' ARG . 15.3 mm100 -59.93 -46.63 88.77 Favored 'General case' 0 C--O 1.236 0.348 0 CA-C-O 120.958 0.408 . . . . 2.82 110.738 178.644 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 22' ' ' ARG . . . . . 0.48 ' HD3' ' OE2' ' A' ' 19' ' ' GLU . 74.8 ttt180 -51.02 -53.0 37.31 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.425 -0.807 . . . . 2.99 109.89 175.309 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 41.3 t60 -57.86 -45.51 86.18 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 115.389 -0.823 . . . . 0.24 110.872 178.308 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . 0.425 ' HG2' ' O ' ' A' ' 20' ' ' LEU . 71.2 mmtt -55.24 -29.54 58.25 Favored 'General case' 0 C--O 1.237 0.432 0 CA-C-O 120.685 0.279 . . . . 2.01 111.177 -178.885 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . 0.548 ' HA ' ' OG1' ' A' ' 28' ' ' THR . 74.9 mtp180 -64.71 -13.39 54.38 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.3 -0.409 . . . . 3.37 111.691 -178.286 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 80.3 p -78.8 -33.07 46.51 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.847 0.356 . . . . 1.25 110.166 175.175 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 96.7 m-70 -74.84 -38.03 62.1 Favored 'General case' 0 CA--C 1.517 -0.296 0 CA-C-O 121.362 0.601 . . . . 0.43 109.483 177.605 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 28' ' ' THR . . . . . 0.577 ' HA ' ' N ' ' A' ' 32' ' ' NH2 . 18.3 p -82.39 4.1 25.35 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.513 -0.767 . . . . 2.28 111.76 -178.684 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -66.2 -50.63 49.89 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.964 -0.636 . . . . 3.94 111.883 178.15 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 7.6 mp0 -107.38 -49.37 3.27 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-O 121.192 0.52 . . . . 7.52 109.903 176.388 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 28.6 tptp -81.88 -76.16 0.27 Allowed 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 115.671 -0.695 . . . . 9.2 110.732 -176.0 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 32' ' ' NH2 . . . . . 0.577 ' N ' ' HA ' ' A' ' 28' ' ' THR . . . . . . . . 0 C--N 1.321 -0.67 0 CA-C-N 116.536 -0.302 . . . . 6.63 . . . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 37.9 ptt180 . . . . . 0 N--CA 1.481 1.121 0 N-CA-C 110.497 -0.186 . . . . 4.86 110.497 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 98.6 Cg_endo -80.4 152.07 20.37 Favored 'Trans proline' 0 N--CA 1.458 -0.578 0 C-N-CA 122.214 1.943 . . . . 1.32 112.068 176.169 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 96.7 m-85 -121.11 142.16 50.11 Favored 'General case' 0 C--N 1.319 -0.721 0 CA-C-N 115.948 -0.569 . . . . 0.73 109.632 -179.52 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 4' ' ' NLE . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 42.8 t -81.14 95.86 7.01 Favored 'General case' 0 C--N 1.319 -0.736 0 CA-C-N 115.442 -0.799 . . . . 0.19 110.133 177.245 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 8.3 p -87.23 39.39 0.86 Allowed 'General case' 0 C--N 1.32 -0.677 0 CA-C-N 116.115 -0.493 . . . . 1.85 111.237 -179.105 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 7' ' ' TRP . . . . . . . . . . . . . 39.9 t-105 -67.6 144.11 55.73 Favored 'General case' 0 N--CA 1.45 -0.452 0 N-CA-C 108.881 -0.785 . . . . 0.76 108.881 174.744 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 8' ' ' AIB . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.539 0.532 0 O-C-N 124.099 0.874 . . . . 1.43 110.381 -178.886 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 92.03 27.1 17.14 Favored Glycine 0 N--CA 1.446 -0.665 0 C-N-CA 120.946 -0.645 . . . . 0.97 112.884 177.072 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 37.9 t -116.22 -83.04 0.63 Allowed 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 117.215 0.508 . . . . 0.46 111.042 177.516 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 70.34 40.82 69.2 Favored Glycine 0 C--N 1.331 0.254 0 C-N-CA 120.699 -0.762 . . . . 0.28 112.737 -179.904 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 14.4 tptp -90.12 126.83 35.93 Favored 'General case' 0 C--N 1.324 -0.526 0 N-CA-C 109.24 -0.652 . . . . 2.63 109.24 176.856 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 34.3 ttt180 -110.41 136.87 48.9 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-O 121.001 0.429 . . . . 3.71 111.291 -173.347 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 59.1 m-85 -133.12 168.08 19.16 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.81 -0.632 . . . . 0.34 110.127 -177.234 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 3.4 p -115.48 0.37 13.34 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-O 121.074 0.464 . . . . 1.79 111.278 177.41 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 23.5 mmm180 -130.18 137.98 50.37 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.994 -0.548 . . . . 4.85 111.026 -179.877 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 5.9 p -66.32 -40.55 90.01 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.263 -0.881 . . . . 1.36 110.915 -178.684 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 31.9 m-20 -61.39 -33.86 74.38 Favored 'General case' 0 CA--C 1.518 -0.287 0 CA-C-N 115.973 -0.558 . . . . 1.91 110.07 178.349 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 5.4 tp10 -68.76 -48.78 62.87 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 115.214 -0.903 . . . . 1.38 109.66 -179.868 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 56.9 tp -59.97 -42.86 95.05 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 115.851 -0.613 . . . . 1.07 110.891 177.81 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 79.5 mm-40 -60.49 -50.04 75.14 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.734 0.302 . . . . 2.82 111.107 179.329 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 79.5 ttt180 -57.87 -45.24 86.63 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.148 -0.478 . . . . 2.99 109.801 178.21 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 43.1 t60 -60.35 -44.66 95.34 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.578 -0.737 . . . . 0.24 110.961 178.949 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 69.6 mmtt -54.96 -30.09 58.16 Favored 'General case' 0 C--O 1.236 0.386 0 CA-C-O 120.893 0.378 . . . . 2.01 111.025 -179.448 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . 0.41 ' O ' ' HA3' ' A' ' 29' ' ' GLY . 85.2 mtt180 -79.68 13.0 2.26 Favored 'General case' 0 N--CA 1.449 -0.51 0 CA-C-N 115.979 -0.555 . . . . 3.37 111.953 -177.71 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 61.9 p -93.11 -33.36 14.09 Favored 'General case' 0 C--N 1.33 -0.267 0 N-CA-C 109.179 -0.675 . . . . 1.25 109.179 166.732 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 96.5 m-70 -79.1 -40.58 30.78 Favored 'General case' 0 C--N 1.331 -0.196 0 N-CA-C 108.989 -0.745 . . . . 0.43 108.989 175.658 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 21.4 p -110.28 46.84 1.0 Allowed 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.155 -0.93 . . . . 2.28 110.705 -179.137 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . 0.41 ' HA3' ' O ' ' A' ' 25' ' ' ARG . . . -146.14 -165.95 11.78 Favored Glycine 0 N--CA 1.447 -0.572 0 C-N-CA 120.692 -0.766 . . . . 3.94 112.11 -178.143 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 32.3 mm-40 -72.35 -51.37 20.91 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-O 120.702 0.287 . . . . 7.52 111.1 -176.885 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 23.2 tptm -104.35 81.79 1.86 Allowed 'General case' 0 C--N 1.323 -0.548 0 CA-C-O 121.435 0.636 . . . . 9.2 109.715 177.753 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 32' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.318 -0.784 0 CA-C-N 115.895 -0.593 . . . . 6.63 . . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 67.2 ttt180 . . . . . 0 N--CA 1.48 1.046 0 N-CA-C 109.97 -0.381 . . . . 4.86 109.97 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 73.2 Cg_endo -76.76 143.21 23.47 Favored 'Trans proline' 0 C--N 1.345 0.343 0 C-N-CA 122.351 2.034 . . . . 1.32 111.979 176.064 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 3' ' ' PHE . . . . . 0.508 ' CZ ' ' HB3' ' A' ' 17' ' ' SER . 96.6 m-85 -129.86 144.21 51.2 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 116.247 -0.433 . . . . 0.73 110.105 178.797 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 4' ' ' NLE . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 42.8 t -85.72 99.96 11.68 Favored 'General case' 0 C--N 1.319 -0.753 0 CA-C-N 115.609 -0.723 . . . . 0.19 110.28 176.946 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 3.3 m -84.17 30.65 0.52 Allowed 'General case' 0 C--N 1.322 -0.592 0 CA-C-N 115.63 -0.714 . . . . 1.85 110.963 -177.804 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 7' ' ' TRP . . . . . . . . . . . . . 32.2 t-105 -67.68 142.36 56.37 Favored 'General case' 0 N--CA 1.45 -0.47 0 N-CA-C 108.89 -0.782 . . . . 0.76 108.89 175.714 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 8' ' ' AIB . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.54 0.562 0 O-C-N 123.995 0.809 . . . . 1.43 110.728 -177.173 . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 88.16 10.07 69.32 Favored Glycine 0 N--CA 1.45 -0.431 0 C-N-CA 120.909 -0.662 . . . . 0.97 113.451 174.452 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 19.9 t -99.4 -81.2 0.46 Allowed 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 117.185 0.493 . . . . 0.46 110.829 -178.961 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 67.97 37.59 87.94 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.339 -0.934 . . . . 0.28 112.753 178.439 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 50.7 tptt -83.26 131.61 35.08 Favored 'General case' 0 C--N 1.324 -0.504 0 N-CA-C 109.093 -0.706 . . . . 2.63 109.093 175.422 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 87.9 mtm180 -108.72 146.11 34.03 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-O 121.216 0.531 . . . . 3.71 112.034 -173.044 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 64.9 m-85 -142.03 167.78 21.3 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.262 -0.881 . . . . 0.34 109.919 -178.685 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 7.4 m -120.84 -2.71 9.76 Favored 'General case' 0 C--N 1.32 -0.704 0 CA-C-O 121.533 0.682 . . . . 1.79 109.841 174.945 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 30.7 mmt180 -121.94 132.89 54.79 Favored 'General case' 0 C--O 1.237 0.433 0 CA-C-N 115.708 -0.678 . . . . 4.85 110.605 179.04 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 17' ' ' SER . . . . . 0.508 ' HB3' ' CZ ' ' A' ' 3' ' ' PHE . 6.7 p -69.41 -38.55 77.98 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.246 -0.888 . . . . 1.36 111.833 -174.143 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 14.0 m-20 -69.44 -28.21 65.92 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.306 -0.406 . . . . 1.91 110.195 178.11 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 8.5 tp10 -70.95 -46.33 62.59 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.673 -0.694 . . . . 1.38 109.515 178.172 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 47.5 tp -59.34 -40.93 87.97 Favored 'General case' 0 C--O 1.223 -0.339 0 CA-C-N 116.091 -0.504 . . . . 1.07 110.363 173.51 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 33.6 tt0 -58.64 -49.95 75.62 Favored 'General case' 0 C--O 1.239 0.505 0 CA-C-N 116.224 -0.444 . . . . 2.82 110.95 177.788 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 22' ' ' ARG . . . . . 0.402 HH12 ' HD2' ' A' ' 22' ' ' ARG . 38.9 ttm180 -54.7 -49.51 70.53 Favored 'General case' 0 CA--C 1.519 -0.246 0 CA-C-N 115.83 -0.623 . . . . 2.99 109.908 176.032 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 45.3 t60 -57.62 -40.84 80.06 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 115.307 -0.861 . . . . 0.24 111.062 179.432 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 70.9 mmtt -60.79 -32.91 72.24 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-O 120.85 0.357 . . . . 2.01 110.475 177.717 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . 0.535 ' HA ' ' OG1' ' A' ' 28' ' ' THR . 98.8 mtt180 -69.93 -10.33 58.16 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.185 -0.461 . . . . 3.37 110.605 178.143 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 11.9 m -82.7 -20.84 35.33 Favored 'General case' 0 CA--C 1.535 0.386 0 CA-C-N 116.09 -0.505 . . . . 1.25 110.335 175.665 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 97.6 m-70 -91.32 -35.41 14.45 Favored 'General case' 0 CA--C 1.522 -0.122 0 N-CA-C 109.202 -0.666 . . . . 0.43 109.202 172.608 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 28' ' ' THR . . . . . 0.535 ' OG1' ' HA ' ' A' ' 25' ' ' ARG . 19.7 p -93.82 36.07 1.12 Allowed 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.486 -0.779 . . . . 2.28 110.82 179.128 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 172.73 159.6 19.61 Favored Glycine 0 N--CA 1.444 -0.787 0 CA-C-N 115.712 -0.676 . . . . 3.94 111.569 179.099 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 46.5 mt-10 -126.03 -16.63 5.52 Favored 'General case' 0 C--N 1.322 -0.587 0 CA-C-O 120.947 0.403 . . . . 7.52 110.541 179.906 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 59.5 mtpt -134.15 71.69 1.46 Allowed 'General case' 0 C--N 1.326 -0.429 0 CA-C-O 121.312 0.577 . . . . 9.2 110.299 -179.115 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 32' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.319 -0.724 0 CA-C-N 115.997 -0.547 . . . . 6.63 . . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 1' ' ' ARG . . . . . 0.4 HH12 ' HD2' ' A' ' 1' ' ' ARG . 42.8 mtm180 . . . . . 0 N--CA 1.479 1.006 0 CA-C-O 120.399 0.142 . . . . 4.86 110.671 . . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 84.8 Cg_endo -82.04 124.0 4.24 Favored 'Trans proline' 0 N--CA 1.455 -0.755 0 C-N-CA 122.216 1.944 . . . . 1.32 111.326 173.671 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 84.6 m-85 -82.78 86.59 6.87 Favored 'General case' 0 C--N 1.32 -0.717 0 CA-C-O 121.519 0.676 . . . . 0.73 109.451 -179.397 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 4' ' ' NLE . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 26.7 t -81.89 100.26 9.52 Favored 'General case' 0 C--N 1.318 -0.768 0 CA-C-N 115.414 -0.812 . . . . 0.19 110.239 174.788 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 21.0 p -84.38 35.52 0.55 Allowed 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 116.393 -0.367 . . . . 1.85 111.713 -178.386 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 7' ' ' TRP . . . . . . . . . . . . . 47.1 t-105 -70.31 139.41 52.06 Favored 'General case' 0 N--CA 1.449 -0.492 0 N-CA-C 108.636 -0.876 . . . . 0.76 108.636 174.669 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 8' ' ' AIB . . . . . . . . . . . . . . . . . . . . 0 C--N 1.323 -0.577 0 O-C-N 123.814 0.697 . . . . 1.43 110.142 -175.368 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 92.29 7.21 63.94 Favored Glycine 0 N--CA 1.446 -0.646 0 C-N-CA 120.835 -0.698 . . . . 0.97 113.001 176.009 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 46.0 t -105.78 -80.62 0.55 Allowed 'General case' 0 C--N 1.324 -0.54 0 O-C-N 122.765 -0.256 . . . . 0.46 110.726 -179.602 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 66.79 36.18 90.78 Favored Glycine 0 CA--C 1.519 0.303 0 C-N-CA 120.753 -0.737 . . . . 0.28 113.054 178.863 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 22.6 tptm -85.13 123.87 31.15 Favored 'General case' 0 C--N 1.323 -0.55 0 N-CA-C 110.12 -0.326 . . . . 2.63 110.12 179.615 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 73.3 mtm180 -97.82 141.1 31.22 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-O 120.829 0.347 . . . . 3.71 111.689 -175.297 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 71.2 m-85 -133.33 158.93 41.74 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.003 -0.544 . . . . 0.34 110.332 177.527 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 11.1 m -104.98 -7.17 19.44 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-O 121.576 0.703 . . . . 1.79 110.107 177.952 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 21.1 mmt180 -122.35 131.04 53.7 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.663 -0.699 . . . . 4.85 110.16 178.844 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 6.9 m -65.57 -38.23 88.96 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 115.968 -0.56 . . . . 1.36 111.36 -177.151 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 4.7 p-10 -69.31 -27.85 65.74 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.391 -0.368 . . . . 1.91 110.44 179.238 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . 0.404 ' OE2' ' HD3' ' A' ' 22' ' ' ARG . 9.5 tp10 -69.31 -42.04 75.92 Favored 'General case' 0 C--N 1.323 -0.556 0 N-CA-C 109.387 -0.597 . . . . 1.38 109.387 175.392 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 54.0 tp -62.84 -45.71 91.31 Favored 'General case' 0 C--N 1.332 -0.17 0 CA-C-N 115.844 -0.616 . . . . 1.07 110.76 175.471 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 98.3 mt-30 -60.4 -46.11 91.15 Favored 'General case' 0 C--O 1.237 0.419 0 CA-C-O 121.102 0.477 . . . . 2.82 110.542 177.747 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 22' ' ' ARG . . . . . 0.404 ' HD3' ' OE2' ' A' ' 19' ' ' GLU . 57.0 ttt180 -54.01 -46.23 71.72 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.291 -0.868 . . . . 2.99 110.174 174.666 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 50.8 t60 -63.65 -44.94 92.35 Favored 'General case' 0 C--N 1.321 -0.64 0 CA-C-N 115.272 -0.877 . . . . 0.24 111.278 179.994 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 70.9 mmtt -54.54 -27.3 37.51 Favored 'General case' 0 C--O 1.236 0.387 0 CA-C-N 116.441 -0.345 . . . . 2.01 111.515 -178.14 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 82.8 mtp180 -61.44 -16.72 49.59 Favored 'General case' 0 CA--C 1.53 0.204 0 CA-C-N 116.233 -0.44 . . . . 3.37 111.644 -179.385 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 67.7 p -78.64 -32.22 47.21 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 120.734 0.302 . . . . 1.25 111.297 179.519 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 97.3 m-70 -86.89 -51.1 6.25 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-O 121.015 0.436 . . . . 0.43 110.677 -178.19 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 9.0 t -155.31 -179.27 7.92 Favored 'General case' 0 N--CA 1.449 -0.475 0 CA-C-N 116.0 -0.545 . . . . 2.28 110.495 -171.116 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 98.59 -40.33 2.5 Favored Glycine 0 N--CA 1.448 -0.557 0 N-CA-C 111.054 -0.818 . . . . 3.94 111.054 -176.985 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 12.6 pt-20 -160.54 160.85 32.39 Favored 'General case' 0 C--N 1.321 -0.64 0 N-CA-C 109.12 -0.696 . . . . 7.52 109.12 177.307 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 44.9 mtmt -129.05 -81.38 0.57 Allowed 'General case' 0 C--N 1.322 -0.587 0 CA-C-O 121.199 0.523 . . . . 9.2 110.451 -175.348 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 32' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.32 -0.694 0 CA-C-N 116.181 -0.463 . . . . 6.63 . . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 42.3 t . . . . . 0 N--CA 1.445 -0.694 0 CA-C-O 120.935 0.398 . . . . 0.19 110.523 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 19.9 p -90.55 38.63 0.95 Allowed 'General case' 0 C--N 1.323 -0.58 0 CA-C-N 115.979 -0.555 . . . . 1.03 111.329 -179.322 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 7' ' ' TRP . . . . . . . . . . . . . 54.0 t-105 . . . . . 0 N--CA 1.452 -0.352 0 N-CA-C 109.271 -0.64 . . . . 0.68 109.271 174.738 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.449 -0.474 0 N-CA-C 113.516 0.166 . . . . 0.81 113.516 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 31.9 t -113.11 -73.52 0.66 Allowed 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 117.078 0.439 . . . . 0.45 110.425 177.107 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 65.15 36.27 92.72 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.898 -0.668 . . . . 0.28 113.601 175.414 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 57.5 tttp -90.46 135.05 33.94 Favored 'General case' 0 C--N 1.325 -0.493 0 N-CA-C 109.51 -0.552 . . . . 2.23 109.51 175.65 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 30.1 mtm180 -110.17 146.11 36.09 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-O 121.104 0.478 . . . . 3.21 112.112 -172.497 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 54.3 m-85 -137.71 155.43 49.1 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.233 -0.894 . . . . 0.25 109.726 -179.436 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 10.2 m -98.57 -11.3 22.3 Favored 'General case' 0 C--N 1.321 -0.654 0 CA-C-O 121.508 0.671 . . . . 1.16 109.927 176.558 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 16' ' ' ARG . . . . . 0.402 ' HB3' ' OD1' ' A' ' 18' ' ' ASP . 19.5 mmm180 -116.13 133.86 55.57 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 115.519 -0.764 . . . . 4.11 110.915 178.765 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 17' ' ' SER . . . . . 0.413 ' O ' ' HG2' ' A' ' 21' ' ' GLN . 19.6 p -67.08 -36.52 82.18 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.49 -0.777 . . . . 0.75 110.71 -179.801 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 18' ' ' ASP . . . . . 0.402 ' OD1' ' HB3' ' A' ' 16' ' ' ARG . 6.9 p-10 -64.39 -35.12 79.85 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.681 -0.69 . . . . 1.91 110.223 177.422 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 41.9 mm-40 -63.33 -46.61 85.85 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.924 -0.58 . . . . 1.38 110.647 174.857 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 56.8 tp -60.57 -47.75 84.83 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.15 -0.477 . . . . 0.17 111.226 178.821 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 21' ' ' GLN . . . . . 0.489 ' O ' ' HG3' ' A' ' 25' ' ' ARG . 64.8 mm-40 -63.83 -46.64 84.13 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.879 0.371 . . . . 2.34 110.473 -179.068 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 51.5 ttt180 -52.36 -50.69 61.86 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 115.644 -0.707 . . . . 2.47 110.153 175.266 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 31.3 t60 -58.13 -46.6 85.34 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 115.166 -0.925 . . . . 0.19 111.014 178.638 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 30.3 mmtp -56.14 -28.42 57.92 Favored 'General case' 0 C--O 1.238 0.474 0 CA-C-O 120.827 0.346 . . . . 1.43 111.726 -178.697 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 25' ' ' ARG . . . . . 0.489 ' HG3' ' O ' ' A' ' 21' ' ' GLN . 66.0 mtp180 -64.2 -18.56 64.62 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.205 -0.452 . . . . 2.9 111.411 -178.36 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 59.2 p -79.34 -22.79 44.0 Favored 'General case' 0 C--N 1.33 -0.26 0 C-N-CA 120.939 -0.304 . . . . 0.83 110.672 178.557 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 92.6 m-70 . . . . . 0 CA--C 1.517 -0.319 0 CA-C-O 120.949 0.404 . . . . 0.38 110.103 177.717 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 41.1 t . . . . . 0 N--CA 1.447 -0.591 0 N-CA-C 109.8 -0.444 . . . . 0.19 109.8 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 2.3 m -86.6 18.45 3.34 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-O 121.285 0.564 . . . . 1.03 110.921 -173.854 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 7' ' ' TRP . . . . . . . . . . . . . 33.3 t-105 . . . . . 0 N--CA 1.452 -0.36 0 N-CA-C 109.401 -0.592 . . . . 0.68 109.401 176.755 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.449 -0.478 0 CA-C-O 120.229 -0.206 . . . . 0.81 113.515 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 11.9 t -103.33 -82.52 0.49 Allowed 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 117.303 0.551 . . . . 0.45 110.811 -179.207 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 71.65 29.0 68.23 Favored Glycine 0 CA--C 1.519 0.297 0 C-N-CA 120.529 -0.843 . . . . 0.28 113.161 179.94 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 14.0 tptp -72.13 125.5 27.45 Favored 'General case' 0 C--N 1.326 -0.456 0 N-CA-C 109.479 -0.563 . . . . 2.23 109.479 177.13 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 13' ' ' ARG . . . . . 0.419 HH11 ' HD3' ' A' ' 13' ' ' ARG . 14.2 ttm180 -107.11 140.4 40.01 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-O 120.854 0.359 . . . . 3.21 111.479 -173.973 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 63.6 m-85 -136.2 157.73 46.11 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.854 -0.612 . . . . 0.25 110.605 -177.684 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 18.4 m -93.84 -17.49 23.01 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 116.029 -0.532 . . . . 1.16 110.826 178.364 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 29.1 mtm-85 -123.18 145.5 48.57 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 121.132 0.492 . . . . 4.11 110.645 -179.741 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 11.1 p -72.26 -32.17 66.43 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.34 -0.845 . . . . 0.75 111.111 -178.07 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 4.8 p-10 -70.55 -29.25 65.66 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.94 0.4 . . . . 1.91 110.36 179.538 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 19' ' ' GLU . . . . . 0.504 ' OE2' ' HD3' ' A' ' 22' ' ' ARG . 8.4 tp10 -72.28 -42.39 65.6 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.845 -0.616 . . . . 1.38 109.412 177.596 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 46.7 tp -61.69 -44.32 97.17 Favored 'General case' 0 C--N 1.332 -0.173 0 CA-C-N 115.791 -0.64 . . . . 0.17 110.531 174.271 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 54.4 tp60 -58.98 -47.27 85.76 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.232 -0.44 . . . . 2.34 110.432 177.895 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 22' ' ' ARG . . . . . 0.504 ' HD3' ' OE2' ' A' ' 19' ' ' GLU . 36.2 ttt180 -55.84 -45.95 78.3 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 115.805 -0.634 . . . . 2.47 110.277 176.036 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 47.2 t60 -60.88 -46.28 91.24 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 115.567 -0.742 . . . . 0.19 111.456 179.914 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 64.3 mttm -56.68 -24.96 52.59 Favored 'General case' 0 N--CA 1.466 0.349 0 N-CA-C 111.986 0.365 . . . . 1.43 111.986 -176.337 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 80.9 mtt180 -60.84 -21.05 62.82 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.263 -0.426 . . . . 2.9 111.299 179.573 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 73.7 p -79.61 -20.88 45.77 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 120.767 0.318 . . . . 0.83 111.204 -178.722 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 98.3 m-70 . . . . . 0 C--N 1.33 -0.272 0 CA-C-O 121.008 0.433 . . . . 0.38 109.902 176.508 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 32.2 t . . . . . 0 N--CA 1.449 -0.506 0 N-CA-C 109.781 -0.451 . . . . 0.19 109.781 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 3.2 m -89.19 34.97 0.79 Allowed 'General case' 0 C--N 1.319 -0.741 0 CA-C-O 121.418 0.627 . . . . 1.03 110.718 -176.756 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 7' ' ' TRP . . . . . . . . . . . . . 36.2 t-105 . . . . . 0 N--CA 1.451 -0.425 0 N-CA-C 109.106 -0.701 . . . . 0.68 109.106 175.276 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.411 0 N-CA-C 113.766 0.267 . . . . 0.81 113.766 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 11.3 t -95.57 -73.67 0.58 Allowed 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 117.608 0.704 . . . . 0.45 110.52 -179.338 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 61.3 35.6 91.19 Favored Glycine 0 C--N 1.33 0.239 0 C-N-CA 120.78 -0.724 . . . . 0.28 112.837 178.044 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 20.7 tptp -83.93 119.52 24.98 Favored 'General case' 0 C--N 1.322 -0.594 0 N-CA-C 109.207 -0.664 . . . . 2.23 109.207 178.632 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 87.6 mtm180 -100.26 141.21 33.41 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-O 121.057 0.456 . . . . 3.21 111.744 -175.422 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 53.1 m-85 -132.85 155.41 49.05 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 115.58 -0.736 . . . . 0.25 110.154 179.641 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 15.1 t -106.33 11.43 31.0 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-O 121.032 0.444 . . . . 1.16 110.363 177.77 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 16' ' ' ARG . . . . . 0.465 ' HB2' ' HB2' ' A' ' 19' ' ' GLU . 65.8 mtm180 -134.81 134.24 40.65 Favored 'General case' 0 C--O 1.234 0.281 0 CA-C-N 115.975 -0.557 . . . . 4.11 109.801 177.722 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 2.1 m -64.86 -42.06 95.17 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.726 -0.67 . . . . 0.75 111.182 -176.324 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 7.9 p-10 -70.15 -28.84 65.66 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.87 -0.604 . . . . 1.91 110.518 -179.399 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 19' ' ' GLU . . . . . 0.465 ' HB2' ' HB2' ' A' ' 16' ' ' ARG . 7.7 tp10 -65.31 -43.5 90.84 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 115.913 -0.585 . . . . 1.38 109.836 178.298 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 41.5 tp -64.37 -43.97 92.82 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.897 -0.592 . . . . 0.17 110.993 176.488 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 19.2 mm-40 -61.43 -44.98 96.18 Favored 'General case' 0 C--O 1.236 0.355 0 CA-C-O 121.049 0.452 . . . . 2.34 110.642 178.996 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 75.6 ttt180 -59.29 -44.6 92.48 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.748 -0.66 . . . . 2.47 110.339 175.632 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 39.9 t60 -59.6 -42.62 92.99 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.848 -0.614 . . . . 0.19 110.981 178.969 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 68.5 mttm -53.63 -28.94 35.6 Favored 'General case' 0 N--CA 1.465 0.307 0 CA-C-O 120.696 0.284 . . . . 1.43 111.446 -179.46 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 89.5 mtt180 -68.1 -9.37 45.81 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.283 -0.417 . . . . 2.9 112.058 -177.614 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 72.2 p -82.12 -25.5 34.36 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-O 121.038 0.447 . . . . 0.83 110.264 174.895 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 98.1 m-70 . . . . . 0 C--N 1.331 -0.2 0 N-CA-C 109.574 -0.528 . . . . 0.38 109.574 176.455 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 29.2 t . . . . . 0 N--CA 1.448 -0.571 0 CA-C-O 120.847 0.356 . . . . 0.19 110.041 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 3.2 m -88.29 49.55 1.82 Allowed 'General case' 0 C--N 1.321 -0.632 0 CA-C-O 121.541 0.686 . . . . 1.03 110.402 -178.662 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 7' ' ' TRP . . . . . . . . . . . . . 36.6 t-105 . . . . . 0 C--N 1.326 -0.426 0 N-CA-C 108.645 -0.872 . . . . 0.68 108.645 174.782 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.445 -0.726 0 N-CA-C 112.896 -0.082 . . . . 0.81 112.896 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 18.9 t -129.75 -81.77 0.56 Allowed 'General case' 0 C--N 1.324 -0.536 0 C-N-CA 121.008 -0.277 . . . . 0.45 110.369 177.642 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 65.95 39.19 94.79 Favored Glycine 0 N--CA 1.449 -0.446 0 C-N-CA 120.823 -0.703 . . . . 0.28 113.522 177.361 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 34.9 mmtp -83.35 140.91 32.15 Favored 'General case' 0 C--N 1.325 -0.472 0 N-CA-C 109.94 -0.393 . . . . 2.23 109.94 175.619 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 81.7 mtt180 -109.96 137.72 47.35 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-O 120.79 0.329 . . . . 3.21 111.048 -175.763 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 54.8 m-85 -134.11 153.38 51.86 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 115.912 -0.585 . . . . 0.25 109.968 -178.766 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 7.6 m -100.33 -8.34 23.48 Favored 'General case' 0 C--N 1.321 -0.631 0 CA-C-O 121.53 0.681 . . . . 1.16 109.956 176.636 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 16' ' ' ARG . . . . . 0.522 ' HB2' ' HB2' ' A' ' 19' ' ' GLU . 70.8 mtt180 -113.61 132.04 55.89 Favored 'General case' 0 C--N 1.322 -0.63 0 CA-C-N 115.627 -0.715 . . . . 4.11 109.914 -179.973 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 12.0 p -70.55 -33.87 71.61 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-O 121.239 0.542 . . . . 0.75 110.502 179.459 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 6.2 p-10 -73.89 -27.75 61.21 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 115.83 -0.623 . . . . 1.91 110.478 178.541 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 19' ' ' GLU . . . . . 0.522 ' HB2' ' HB2' ' A' ' 16' ' ' ARG . 7.2 tp10 -68.41 -42.83 78.42 Favored 'General case' 0 C--N 1.329 -0.321 0 N-CA-C 109.554 -0.536 . . . . 1.38 109.554 175.216 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 49.7 tp -60.99 -45.11 96.12 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.006 -0.543 . . . . 0.17 110.652 175.285 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 52.1 mt-30 -58.71 -48.88 79.6 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-O 120.953 0.406 . . . . 2.34 110.419 176.255 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 39.3 ttm180 -56.61 -41.5 77.16 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.443 -0.799 . . . . 2.47 110.291 177.432 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 63.6 t60 -65.78 -44.58 85.39 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 115.465 -0.789 . . . . 0.19 111.149 179.832 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 66.9 mttm -55.66 -27.19 48.58 Favored 'General case' 0 C--O 1.238 0.477 0 CA-C-O 120.794 0.33 . . . . 1.43 111.253 -179.359 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 52.4 mtp180 -62.32 -19.93 63.82 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.18 -0.464 . . . . 2.9 111.371 179.848 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 80.7 p -71.72 -47.67 52.35 Favored 'General case' 0 C--N 1.33 -0.276 0 C-N-CA 121.005 -0.278 . . . . 0.83 110.513 179.826 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 98.7 m-70 . . . . . 0 CA--C 1.518 -0.266 0 CA-C-O 121.257 0.551 . . . . 0.38 110.067 -179.12 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 42.9 t . . . . . 0 N--CA 1.45 -0.441 0 CA-C-O 121.127 0.489 . . . . 0.19 110.111 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 9.8 p -88.42 34.47 0.75 Allowed 'General case' 0 C--N 1.32 -0.692 0 CA-C-N 115.724 -0.671 . . . . 1.03 111.449 -178.281 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 7' ' ' TRP . . . . . . . . . . . . . 54.0 t-105 . . . . . 0 N--CA 1.452 -0.348 0 N-CA-C 109.247 -0.649 . . . . 0.68 109.247 174.882 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.447 -0.613 0 CA-C-O 120.177 -0.235 . . . . 0.81 113.354 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 19.1 t -108.37 -84.29 0.54 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 117.264 0.532 . . . . 0.45 111.005 178.819 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 73.43 35.32 56.31 Favored Glycine 0 CA--C 1.519 0.327 0 C-N-CA 120.474 -0.87 . . . . 0.28 112.944 179.909 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 15.5 tptp -84.37 125.02 31.92 Favored 'General case' 0 C--N 1.324 -0.505 0 N-CA-C 109.151 -0.685 . . . . 2.23 109.151 176.246 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 53.2 mtt180 -107.51 140.02 41.13 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-O 121.054 0.454 . . . . 3.21 111.856 -174.564 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 47.0 m-85 -134.81 171.67 14.06 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.542 -0.754 . . . . 0.25 109.914 -178.546 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 19.0 m -108.99 -11.58 14.95 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 121.359 0.599 . . . . 1.16 110.383 175.983 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 86.0 mtm180 -120.1 132.41 55.42 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-N 116.053 -0.521 . . . . 4.11 110.793 -176.26 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 13.5 p -66.43 -34.9 78.98 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.46 -0.791 . . . . 0.75 110.866 -177.965 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 31.4 t70 -68.35 -35.0 77.09 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 115.77 -0.65 . . . . 1.91 110.19 177.507 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 39.5 tt0 -68.64 -42.78 77.54 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 115.568 -0.742 . . . . 1.38 109.869 178.307 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 20' ' ' LEU . . . . . 0.464 ' O ' ' HG3' ' A' ' 24' ' ' LYS . 48.7 tp -60.63 -44.71 96.04 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 115.919 -0.582 . . . . 0.17 110.699 174.17 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 6.0 tp-100 -59.52 -51.12 71.22 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-O 121.009 0.433 . . . . 2.34 110.481 178.692 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 62.3 ttp180 -52.64 -51.05 61.85 Favored 'General case' 0 C--O 1.234 0.245 0 CA-C-N 115.522 -0.763 . . . . 2.47 109.939 177.198 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 27.5 t60 -55.32 -48.06 74.73 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.286 -0.87 . . . . 0.19 111.047 178.195 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 24' ' ' LYS . . . . . 0.464 ' HG3' ' O ' ' A' ' 20' ' ' LEU . 52.9 mtmt -60.78 -25.2 66.35 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.652 0.263 . . . . 1.43 111.407 -176.675 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 91.8 mtt180 -73.56 3.28 6.42 Favored 'General case' 0 N--CA 1.45 -0.473 0 C-N-CA 120.958 -0.297 . . . . 2.9 111.511 179.643 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 70.7 p -90.51 -24.42 20.65 Favored 'General case' 0 N--CA 1.454 -0.272 0 N-CA-C 109.822 -0.436 . . . . 0.83 109.822 170.022 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 97.7 m-70 . . . . . 0 CA--C 1.52 -0.18 0 N-CA-C 109.263 -0.643 . . . . 0.38 109.263 175.815 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 36.8 t . . . . . 0 N--CA 1.452 -0.369 0 CA-C-O 120.875 0.369 . . . . 0.19 110.45 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 12.6 p -88.99 33.14 0.79 Allowed 'General case' 0 C--N 1.322 -0.628 0 CA-C-N 116.162 -0.472 . . . . 1.03 111.76 -177.471 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 7' ' ' TRP . . . . . . . . . . . . . 40.7 t-105 . . . . . 0 C--N 1.329 -0.305 0 N-CA-C 109.306 -0.627 . . . . 0.68 109.306 175.476 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.366 0 N-CA-C 113.555 0.182 . . . . 0.81 113.555 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 10.0 t -109.34 -79.97 0.58 Allowed 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 117.202 0.501 . . . . 0.45 110.245 178.344 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 66.55 29.66 75.16 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.692 -0.766 . . . . 0.28 113.191 177.038 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 12' ' ' LYS . . . . . 0.408 ' HD3' ' CE1' ' A' ' 23' ' ' HIS . 62.7 tttp -80.24 129.79 34.75 Favored 'General case' 0 C--N 1.327 -0.381 0 N-CA-C 109.449 -0.575 . . . . 2.23 109.449 176.5 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 76.1 mtm180 -104.65 144.14 32.13 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-N 116.094 -0.503 . . . . 3.21 111.583 -173.671 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 65.1 m-85 -133.59 160.26 38.01 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.572 -0.74 . . . . 0.25 110.346 -177.9 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 1.1 p -106.25 -7.03 18.01 Favored 'General case' 0 C--N 1.321 -0.669 0 CA-C-O 121.461 0.648 . . . . 1.16 110.154 172.624 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 19.0 mmm180 -122.08 129.18 52.16 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 115.311 -0.859 . . . . 4.11 110.929 179.562 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 9.2 p -67.29 -32.68 73.83 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.327 -0.851 . . . . 0.75 110.834 -179.445 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 7.1 p-10 -67.17 -36.04 80.95 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.101 -0.499 . . . . 1.91 110.18 177.767 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 19.4 mm-40 -63.11 -47.3 83.39 Favored 'General case' 0 CA--C 1.518 -0.281 0 CA-C-N 115.961 -0.563 . . . . 1.38 110.245 174.36 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 56.0 tp -59.39 -45.4 91.58 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.2 -0.455 . . . . 0.17 111.194 178.087 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 21' ' ' GLN . . . . . 0.412 ' O ' ' HG3' ' A' ' 25' ' ' ARG . 78.3 mt-30 -62.44 -50.83 69.91 Favored 'General case' 0 C--O 1.239 0.507 0 CA-C-O 120.814 0.34 . . . . 2.34 111.142 -179.682 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 13.4 ttp180 -58.78 -41.77 87.44 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.211 -0.45 . . . . 2.47 109.883 177.944 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 23' ' ' HIS . . . . . 0.408 ' CE1' ' HD3' ' A' ' 12' ' ' LYS . 35.2 t60 -59.1 -46.29 88.68 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 115.545 -0.752 . . . . 0.19 110.67 177.881 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 55.6 mttm -57.11 -28.22 62.48 Favored 'General case' 0 C--O 1.237 0.447 0 CA-C-O 120.945 0.402 . . . . 1.43 111.019 179.481 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 25' ' ' ARG . . . . . 0.412 ' HG3' ' O ' ' A' ' 21' ' ' GLN . 89.1 mtt180 -65.61 -15.82 63.11 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.09 -0.504 . . . . 2.9 111.282 179.556 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 43.7 p -85.61 -10.27 56.07 Favored 'General case' 0 C--N 1.333 -0.142 0 CA-C-O 120.809 0.338 . . . . 0.83 111.024 178.606 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 97.1 m-70 . . . . . 0 C--N 1.33 -0.263 0 CA-C-O 121.327 0.585 . . . . 0.38 109.583 173.41 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 48.8 t . . . . . 0 N--CA 1.448 -0.564 0 CA-C-O 120.985 0.421 . . . . 0.19 110.097 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 15.0 p -84.31 39.42 0.72 Allowed 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 115.529 -0.76 . . . . 1.03 111.279 -179.406 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 7' ' ' TRP . . . . . . . . . . . . . 5.1 t-105 . . . . . 0 C--N 1.327 -0.397 0 CA-C-N 116.209 -0.45 . . . . 0.68 110.552 -177.597 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.414 0 N-CA-C 113.242 0.057 . . . . 0.81 113.242 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 10' ' ' CYS . . . . . 0.697 ' SG ' ' HD3' ' A' ' 12' ' ' LYS . 34.3 t -79.82 -58.71 3.04 Favored 'General case' 0 C--N 1.321 -0.634 0 N-CA-C 109.603 -0.517 . . . . 0.45 109.603 176.76 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 79.8 4.21 89.39 Favored Glycine 0 N--CA 1.451 -0.362 0 N-CA-C 114.873 0.709 . . . . 0.28 114.873 167.645 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 12' ' ' LYS . . . . . 0.697 ' HD3' ' SG ' ' A' ' 10' ' ' CYS . 13.8 mptt -71.25 125.37 26.77 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 117.698 0.749 . . . . 2.23 110.178 179.474 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 35.1 mtp85 -102.99 143.76 32.14 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-O 121.093 0.473 . . . . 3.21 111.182 -177.432 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 59.8 m-85 -137.73 153.64 49.72 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-N 115.658 -0.701 . . . . 0.25 109.682 -179.803 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 11.5 p -102.44 5.71 39.75 Favored 'General case' 0 C--N 1.319 -0.741 0 CA-C-O 120.99 0.424 . . . . 1.16 110.914 177.988 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 16' ' ' ARG . . . . . 0.406 ' HB2' ' HB2' ' A' ' 19' ' ' GLU . 46.8 mtp180 -136.12 134.06 37.92 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 115.883 -0.599 . . . . 4.11 110.162 -179.857 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 22.5 p -67.09 -33.76 76.18 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.886 -0.597 . . . . 0.75 110.606 -178.966 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 19.1 t70 -65.71 -35.82 81.84 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.715 -0.675 . . . . 1.91 110.202 176.38 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 19' ' ' GLU . . . . . 0.491 ' OE2' ' HD3' ' A' ' 22' ' ' ARG . 8.3 tp10 -68.64 -41.13 79.84 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 115.47 -0.786 . . . . 1.38 109.574 179.081 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 20' ' ' LEU . . . . . 0.441 ' O ' ' HG2' ' A' ' 24' ' ' LYS . 60.3 tp -61.89 -48.78 78.96 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.737 -0.665 . . . . 0.17 110.781 175.706 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 21' ' ' GLN . . . . . 0.511 ' O ' ' HG3' ' A' ' 25' ' ' ARG . 15.3 mm100 -59.93 -46.63 88.77 Favored 'General case' 0 C--O 1.236 0.348 0 CA-C-O 120.958 0.408 . . . . 2.34 110.738 178.644 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 22' ' ' ARG . . . . . 0.491 ' HD3' ' OE2' ' A' ' 19' ' ' GLU . 74.8 ttt180 -51.02 -53.0 37.31 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.425 -0.807 . . . . 2.47 109.89 175.309 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 41.3 t60 -57.86 -45.51 86.18 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 115.389 -0.823 . . . . 0.19 110.872 178.308 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 24' ' ' LYS . . . . . 0.441 ' HG2' ' O ' ' A' ' 20' ' ' LEU . 71.2 mmtt -55.24 -29.54 58.25 Favored 'General case' 0 C--O 1.237 0.432 0 CA-C-O 120.685 0.279 . . . . 1.43 111.177 -178.885 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 25' ' ' ARG . . . . . 0.511 ' HG3' ' O ' ' A' ' 21' ' ' GLN . 74.9 mtp180 -64.71 -13.39 54.38 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.3 -0.409 . . . . 2.9 111.691 -178.286 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 80.3 p -78.8 -33.07 46.51 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.847 0.356 . . . . 0.83 110.166 175.175 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 96.7 m-70 . . . . . 0 CA--C 1.517 -0.296 0 CA-C-O 121.362 0.601 . . . . 0.38 109.483 177.605 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 42.8 t . . . . . 0 N--CA 1.447 -0.583 0 CA-C-O 120.891 0.377 . . . . 0.19 110.133 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 8.3 p -87.23 39.39 0.86 Allowed 'General case' 0 C--N 1.32 -0.677 0 CA-C-N 116.115 -0.493 . . . . 1.03 111.237 -179.105 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 7' ' ' TRP . . . . . . . . . . . . . 39.9 t-105 . . . . . 0 N--CA 1.45 -0.452 0 N-CA-C 108.881 -0.785 . . . . 0.68 108.881 174.744 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.446 -0.665 0 CA-C-O 120.375 -0.125 . . . . 0.81 112.884 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 37.9 t -116.22 -83.04 0.63 Allowed 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 117.215 0.508 . . . . 0.45 111.042 177.516 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 70.34 40.82 69.2 Favored Glycine 0 C--N 1.331 0.254 0 C-N-CA 120.699 -0.762 . . . . 0.28 112.737 -179.904 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 14.4 tptp -90.12 126.83 35.93 Favored 'General case' 0 C--N 1.324 -0.526 0 N-CA-C 109.24 -0.652 . . . . 2.23 109.24 176.856 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 34.3 ttt180 -110.41 136.87 48.9 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-O 121.001 0.429 . . . . 3.21 111.291 -173.347 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 59.1 m-85 -133.12 168.08 19.16 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.81 -0.632 . . . . 0.25 110.127 -177.234 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 3.4 p -115.48 0.37 13.34 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-O 121.074 0.464 . . . . 1.16 111.278 177.41 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 23.5 mmm180 -130.18 137.98 50.37 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.994 -0.548 . . . . 4.11 111.026 -179.877 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 5.9 p -66.32 -40.55 90.01 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.263 -0.881 . . . . 0.75 110.915 -178.684 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 31.9 m-20 -61.39 -33.86 74.38 Favored 'General case' 0 CA--C 1.518 -0.287 0 CA-C-N 115.973 -0.558 . . . . 1.91 110.07 178.349 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 5.4 tp10 -68.76 -48.78 62.87 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 115.214 -0.903 . . . . 1.38 109.66 -179.868 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 56.9 tp -59.97 -42.86 95.05 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 115.851 -0.613 . . . . 0.17 110.891 177.81 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 79.5 mm-40 -60.49 -50.04 75.14 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.734 0.302 . . . . 2.34 111.107 179.329 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 79.5 ttt180 -57.87 -45.24 86.63 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.148 -0.478 . . . . 2.47 109.801 178.21 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 43.1 t60 -60.35 -44.66 95.34 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.578 -0.737 . . . . 0.19 110.961 178.949 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 69.6 mmtt -54.96 -30.09 58.16 Favored 'General case' 0 C--O 1.236 0.386 0 CA-C-O 120.893 0.378 . . . . 1.43 111.025 -179.448 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 85.2 mtt180 -79.68 13.0 2.26 Favored 'General case' 0 N--CA 1.449 -0.51 0 CA-C-N 115.979 -0.555 . . . . 2.9 111.953 -177.71 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 61.9 p -93.11 -33.36 14.09 Favored 'General case' 0 C--N 1.33 -0.267 0 N-CA-C 109.179 -0.675 . . . . 0.83 109.179 166.732 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 96.5 m-70 . . . . . 0 C--N 1.331 -0.196 0 N-CA-C 108.989 -0.745 . . . . 0.38 108.989 175.658 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 42.8 t . . . . . 0 N--CA 1.447 -0.617 0 CA-C-O 121.075 0.464 . . . . 0.19 110.28 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 3.3 m -84.17 30.65 0.52 Allowed 'General case' 0 C--N 1.322 -0.592 0 CA-C-N 115.63 -0.714 . . . . 1.03 110.963 -177.804 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 7' ' ' TRP . . . . . . . . . . . . . 32.2 t-105 . . . . . 0 N--CA 1.45 -0.47 0 N-CA-C 108.89 -0.782 . . . . 0.68 108.89 175.714 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.431 0 N-CA-C 113.451 0.14 . . . . 0.81 113.451 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 19.9 t -99.4 -81.2 0.46 Allowed 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 117.185 0.493 . . . . 0.45 110.829 -178.961 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 67.97 37.59 87.94 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.339 -0.934 . . . . 0.28 112.753 178.439 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 50.7 tptt -83.26 131.61 35.08 Favored 'General case' 0 C--N 1.324 -0.504 0 N-CA-C 109.093 -0.706 . . . . 2.23 109.093 175.422 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 87.9 mtm180 -108.72 146.11 34.03 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-O 121.216 0.531 . . . . 3.21 112.034 -173.044 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 64.9 m-85 -142.03 167.78 21.3 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.262 -0.881 . . . . 0.25 109.919 -178.685 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 7.4 m -120.84 -2.71 9.76 Favored 'General case' 0 C--N 1.32 -0.704 0 CA-C-O 121.533 0.682 . . . . 1.16 109.841 174.945 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 30.7 mmt180 -121.94 132.89 54.79 Favored 'General case' 0 C--O 1.237 0.433 0 CA-C-N 115.708 -0.678 . . . . 4.11 110.605 179.04 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 6.7 p -69.41 -38.55 77.98 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.246 -0.888 . . . . 0.75 111.833 -174.143 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 14.0 m-20 -69.44 -28.21 65.92 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.306 -0.406 . . . . 1.91 110.195 178.11 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 8.5 tp10 -70.95 -46.33 62.59 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.673 -0.694 . . . . 1.38 109.515 178.172 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 47.5 tp -59.34 -40.93 87.97 Favored 'General case' 0 C--O 1.223 -0.339 0 CA-C-N 116.091 -0.504 . . . . 0.17 110.363 173.51 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 33.6 tt0 -58.64 -49.95 75.62 Favored 'General case' 0 C--O 1.239 0.505 0 CA-C-N 116.224 -0.444 . . . . 2.34 110.95 177.788 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 22' ' ' ARG . . . . . 0.419 HH11 ' HD2' ' A' ' 22' ' ' ARG . 38.9 ttm180 -54.7 -49.51 70.53 Favored 'General case' 0 CA--C 1.519 -0.246 0 CA-C-N 115.83 -0.623 . . . . 2.47 109.908 176.032 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 45.3 t60 -57.62 -40.84 80.06 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 115.307 -0.861 . . . . 0.19 111.062 179.432 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 70.9 mmtt -60.79 -32.91 72.24 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-O 120.85 0.357 . . . . 1.43 110.475 177.717 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 98.8 mtt180 -69.93 -10.33 58.16 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.185 -0.461 . . . . 2.9 110.605 178.143 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 11.9 m -82.7 -20.84 35.33 Favored 'General case' 0 CA--C 1.535 0.386 0 CA-C-N 116.09 -0.505 . . . . 0.83 110.335 175.665 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 97.6 m-70 . . . . . 0 CA--C 1.522 -0.122 0 N-CA-C 109.202 -0.666 . . . . 0.38 109.202 172.608 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 26.7 t . . . . . 0 N--CA 1.447 -0.609 0 CA-C-O 120.753 0.311 . . . . 0.19 110.239 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 21.0 p -84.38 35.52 0.55 Allowed 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 116.393 -0.367 . . . . 1.03 111.713 -178.386 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 7' ' ' TRP . . . . . . . . . . . . . 47.1 t-105 . . . . . 0 N--CA 1.449 -0.492 0 N-CA-C 108.636 -0.876 . . . . 0.68 108.636 174.669 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.446 -0.646 0 N-CA-C 113.001 -0.04 . . . . 0.81 113.001 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 46.0 t -105.78 -80.62 0.55 Allowed 'General case' 0 C--N 1.324 -0.54 0 O-C-N 122.765 -0.256 . . . . 0.45 110.726 -179.602 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 66.79 36.18 90.78 Favored Glycine 0 CA--C 1.519 0.303 0 C-N-CA 120.753 -0.737 . . . . 0.28 113.054 178.863 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 22.6 tptm -85.13 123.87 31.15 Favored 'General case' 0 C--N 1.323 -0.55 0 N-CA-C 110.12 -0.326 . . . . 2.23 110.12 179.615 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 73.3 mtm180 -97.82 141.1 31.22 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-O 120.829 0.347 . . . . 3.21 111.689 -175.297 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 71.2 m-85 -133.33 158.93 41.74 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.003 -0.544 . . . . 0.25 110.332 177.527 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 11.1 m -104.98 -7.17 19.44 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-O 121.576 0.703 . . . . 1.16 110.107 177.952 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 21.1 mmt180 -122.35 131.04 53.7 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.663 -0.699 . . . . 4.11 110.16 178.844 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 6.9 m -65.57 -38.23 88.96 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 115.968 -0.56 . . . . 0.75 111.36 -177.151 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 4.7 p-10 -69.31 -27.85 65.74 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.391 -0.368 . . . . 1.91 110.44 179.238 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 19' ' ' GLU . . . . . 0.416 ' OE2' ' HD3' ' A' ' 22' ' ' ARG . 9.5 tp10 -69.31 -42.04 75.92 Favored 'General case' 0 C--N 1.323 -0.556 0 N-CA-C 109.387 -0.597 . . . . 1.38 109.387 175.392 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 54.0 tp -62.84 -45.71 91.31 Favored 'General case' 0 C--N 1.332 -0.17 0 CA-C-N 115.844 -0.616 . . . . 0.17 110.76 175.471 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 98.3 mt-30 -60.4 -46.11 91.15 Favored 'General case' 0 C--O 1.237 0.419 0 CA-C-O 121.102 0.477 . . . . 2.34 110.542 177.747 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 22' ' ' ARG . . . . . 0.416 ' HD3' ' OE2' ' A' ' 19' ' ' GLU . 57.0 ttt180 -54.01 -46.23 71.72 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.291 -0.868 . . . . 2.47 110.174 174.666 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 50.8 t60 -63.65 -44.94 92.35 Favored 'General case' 0 C--N 1.321 -0.64 0 CA-C-N 115.272 -0.877 . . . . 0.19 111.278 179.994 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 70.9 mmtt -54.54 -27.3 37.51 Favored 'General case' 0 C--O 1.236 0.387 0 CA-C-N 116.441 -0.345 . . . . 1.43 111.515 -178.14 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 82.8 mtp180 -61.44 -16.72 49.59 Favored 'General case' 0 CA--C 1.53 0.204 0 CA-C-N 116.233 -0.44 . . . . 2.9 111.644 -179.385 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 67.7 p -78.64 -32.22 47.21 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 120.734 0.302 . . . . 0.83 111.297 179.519 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 97.3 m-70 . . . . . 0 C--N 1.331 -0.222 0 CA-C-O 121.015 0.436 . . . . 0.38 110.677 -178.19 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 62.2 ttt180 . . . . . 0 N--CA 1.48 1.034 0 CA-C-O 120.477 0.179 . . . . 4.31 110.559 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 85.5 Cg_endo -83.35 146.63 12.44 Favored 'Trans proline' 0 N--CA 1.456 -0.708 0 C-N-CA 122.307 2.004 . . . . 1.0 111.617 175.891 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 3' ' ' PHE . . . . . 0.425 ' CZ ' ' HB3' ' A' ' 17' ' ' SER . 96.9 m-85 -103.9 129.76 51.45 Favored 'General case' 0 C--N 1.318 -0.782 0 N-CA-C 110.059 -0.349 . . . . 0.73 110.059 -179.528 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 4' ' ' NLE . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 42.3 t -80.61 103.93 10.79 Favored 'General case' 0 C--N 1.317 -0.834 0 CA-C-N 115.507 -0.77 . . . . 0.19 110.523 176.363 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 19.9 p -90.55 38.63 0.95 Allowed 'General case' 0 C--N 1.323 -0.58 0 CA-C-N 115.979 -0.555 . . . . 1.03 111.329 -179.322 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 7' ' ' TRP . . . . . . . . . . . . . 54.0 t-105 -74.42 158.94 33.0 Favored 'General case' 0 N--CA 1.452 -0.352 0 N-CA-C 109.271 -0.64 . . . . 0.68 109.271 174.738 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 8' ' ' AIB . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.541 0.632 0 O-C-N 124.041 0.838 . . . . 0.78 110.715 179.03 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 66.53 45.38 85.59 Favored Glycine 0 N--CA 1.449 -0.474 0 CA-C-N 116.356 -0.384 . . . . 0.81 113.516 174.935 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 31.9 t -113.11 -73.52 0.66 Allowed 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 117.078 0.439 . . . . 0.45 110.425 177.107 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 65.15 36.27 92.72 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.898 -0.668 . . . . 0.28 113.601 175.414 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 57.5 tttp -90.46 135.05 33.94 Favored 'General case' 0 C--N 1.325 -0.493 0 N-CA-C 109.51 -0.552 . . . . 2.23 109.51 175.65 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 30.1 mtm180 -110.17 146.11 36.09 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-O 121.104 0.478 . . . . 3.21 112.112 -172.497 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 54.3 m-85 -137.71 155.43 49.1 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.233 -0.894 . . . . 0.25 109.726 -179.436 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 10.2 m -98.57 -11.3 22.3 Favored 'General case' 0 C--N 1.321 -0.654 0 CA-C-O 121.508 0.671 . . . . 1.16 109.927 176.558 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 16' ' ' ARG . . . . . 0.402 ' HB3' ' OD1' ' A' ' 18' ' ' ASP . 19.5 mmm180 -116.13 133.86 55.57 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 115.519 -0.764 . . . . 4.11 110.915 178.765 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 17' ' ' SER . . . . . 0.425 ' HB3' ' CZ ' ' A' ' 3' ' ' PHE . 19.6 p -67.08 -36.52 82.18 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.49 -0.777 . . . . 0.75 110.71 -179.801 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 18' ' ' ASP . . . . . 0.402 ' OD1' ' HB3' ' A' ' 16' ' ' ARG . 6.9 p-10 -64.39 -35.12 79.85 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.681 -0.69 . . . . 1.91 110.223 177.422 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 41.9 mm-40 -63.33 -46.61 85.85 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.924 -0.58 . . . . 1.38 110.647 174.857 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 20' ' ' LEU . . . . . 0.404 HD22 ' HB3' ' A' ' 3' ' ' PHE . 56.8 tp -60.57 -47.75 84.83 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.15 -0.477 . . . . 0.17 111.226 178.821 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 21' ' ' GLN . . . . . 0.489 ' O ' ' HG3' ' A' ' 25' ' ' ARG . 64.8 mm-40 -63.83 -46.64 84.13 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.879 0.371 . . . . 2.34 110.473 -179.068 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 51.5 ttt180 -52.36 -50.69 61.86 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 115.644 -0.707 . . . . 2.47 110.153 175.266 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 31.3 t60 -58.13 -46.6 85.34 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 115.166 -0.925 . . . . 0.19 111.014 178.638 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 30.3 mmtp -56.14 -28.42 57.92 Favored 'General case' 0 C--O 1.238 0.474 0 CA-C-O 120.827 0.346 . . . . 1.43 111.726 -178.697 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 25' ' ' ARG . . . . . 0.489 ' HG3' ' O ' ' A' ' 21' ' ' GLN . 66.0 mtp180 -64.2 -18.56 64.62 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.205 -0.452 . . . . 2.9 111.411 -178.36 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 59.2 p -79.34 -22.79 44.0 Favored 'General case' 0 C--N 1.33 -0.26 0 C-N-CA 120.939 -0.304 . . . . 0.83 110.672 178.557 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 92.6 m-70 -81.91 -44.49 16.72 Favored 'General case' 0 CA--C 1.517 -0.319 0 CA-C-O 120.949 0.404 . . . . 0.38 110.103 177.717 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 4.9 p -68.22 -31.63 71.26 Favored 'General case' 0 N--CA 1.45 -0.459 0 CA-C-N 115.772 -0.649 . . . . 1.78 111.273 -178.901 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 105.27 27.72 5.76 Favored Glycine 0 N--CA 1.446 -0.688 0 C-N-CA 120.648 -0.787 . . . . 3.94 112.511 176.069 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 30' ' ' GLU . . . . . 0.479 ' HB2' ' HB3' ' A' ' 25' ' ' ARG . 41.3 mt-10 -88.4 72.76 8.87 Favored 'General case' 0 C--N 1.321 -0.66 0 CA-C-O 120.875 0.369 . . . . 7.52 110.837 -179.182 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 24.2 pttm -124.48 64.49 1.09 Allowed 'General case' 0 C--N 1.324 -0.533 0 CA-C-O 122.002 0.906 . . . . 8.93 110.308 175.541 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 32' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.32 -0.699 0 CA-C-N 115.576 -0.738 . . . . 6.25 . . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 93.1 mtt180 . . . . . 0 N--CA 1.481 1.105 0 N-CA-C 110.52 -0.178 . . . . 4.31 110.52 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 56.2 Cg_endo -71.85 139.56 33.61 Favored 'Trans proline' 0 N--CA 1.46 -0.485 0 C-N-CA 122.013 1.808 . . . . 1.0 110.79 172.938 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 3' ' ' PHE . . . . . 0.419 ' CE1' ' HB3' ' A' ' 17' ' ' SER . 94.4 m-85 -96.71 128.68 43.89 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-O 120.91 0.386 . . . . 0.73 110.473 -176.08 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 4' ' ' NLE . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 41.1 t -68.39 106.82 2.63 Favored 'General case' 0 C--N 1.318 -0.801 0 CA-C-N 115.646 -0.706 . . . . 0.19 109.8 175.457 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 2.3 m -86.6 18.45 3.34 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-O 121.285 0.564 . . . . 1.03 110.921 -173.854 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 7' ' ' TRP . . . . . . . . . . . . . 33.3 t-105 -65.71 136.38 56.19 Favored 'General case' 0 N--CA 1.452 -0.36 0 N-CA-C 109.401 -0.592 . . . . 0.68 109.401 176.755 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 8' ' ' AIB . . . . . . . . . . . . . . . . . . . . 0 C--N 1.323 -0.553 0 O-C-N 123.882 0.738 . . . . 0.78 110.449 -176.892 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 88.27 6.52 74.45 Favored Glycine 0 N--CA 1.449 -0.478 0 C-N-CA 121.138 -0.553 . . . . 0.81 113.515 174.601 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 11.9 t -103.33 -82.52 0.49 Allowed 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 117.303 0.551 . . . . 0.45 110.811 -179.207 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 71.65 29.0 68.23 Favored Glycine 0 CA--C 1.519 0.297 0 C-N-CA 120.529 -0.843 . . . . 0.28 113.161 179.94 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 14.0 tptp -72.13 125.5 27.45 Favored 'General case' 0 C--N 1.326 -0.456 0 N-CA-C 109.479 -0.563 . . . . 2.23 109.479 177.13 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 13' ' ' ARG . . . . . 0.419 HH11 ' HD3' ' A' ' 13' ' ' ARG . 14.2 ttm180 -107.11 140.4 40.01 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-O 120.854 0.359 . . . . 3.21 111.479 -173.973 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 63.6 m-85 -136.2 157.73 46.11 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.854 -0.612 . . . . 0.25 110.605 -177.684 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 18.4 m -93.84 -17.49 23.01 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 116.029 -0.532 . . . . 1.16 110.826 178.364 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 29.1 mtm-85 -123.18 145.5 48.57 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 121.132 0.492 . . . . 4.11 110.645 -179.741 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 17' ' ' SER . . . . . 0.419 ' HB3' ' CE1' ' A' ' 3' ' ' PHE . 11.1 p -72.26 -32.17 66.43 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.34 -0.845 . . . . 0.75 111.111 -178.07 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 4.8 p-10 -70.55 -29.25 65.66 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.94 0.4 . . . . 1.91 110.36 179.538 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 19' ' ' GLU . . . . . 0.504 ' OE2' ' HD3' ' A' ' 22' ' ' ARG . 8.4 tp10 -72.28 -42.39 65.6 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.845 -0.616 . . . . 1.38 109.412 177.596 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 46.7 tp -61.69 -44.32 97.17 Favored 'General case' 0 C--N 1.332 -0.173 0 CA-C-N 115.791 -0.64 . . . . 0.17 110.531 174.271 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 54.4 tp60 -58.98 -47.27 85.76 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.232 -0.44 . . . . 2.34 110.432 177.895 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 22' ' ' ARG . . . . . 0.504 ' HD3' ' OE2' ' A' ' 19' ' ' GLU . 36.2 ttt180 -55.84 -45.95 78.3 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 115.805 -0.634 . . . . 2.47 110.277 176.036 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 47.2 t60 -60.88 -46.28 91.24 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 115.567 -0.742 . . . . 0.19 111.456 179.914 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 64.3 mttm -56.68 -24.96 52.59 Favored 'General case' 0 N--CA 1.466 0.349 0 N-CA-C 111.986 0.365 . . . . 1.43 111.986 -176.337 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 80.9 mtt180 -60.84 -21.05 62.82 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.263 -0.426 . . . . 2.9 111.299 179.573 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 73.7 p -79.61 -20.88 45.77 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 120.767 0.318 . . . . 0.83 111.204 -178.722 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 98.3 m-70 -88.36 -40.58 13.45 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 121.008 0.433 . . . . 0.38 109.902 176.508 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 30.0 p -74.22 -28.11 61.1 Favored 'General case' 0 N--CA 1.452 -0.339 0 CA-C-N 115.919 -0.582 . . . . 1.78 111.183 -178.452 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -99.22 122.75 7.67 Favored Glycine 0 N--CA 1.446 -0.686 0 N-CA-C 111.267 -0.733 . . . . 3.94 111.267 176.598 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 42.3 tt0 -76.86 -43.18 37.08 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-O 120.734 0.302 . . . . 7.52 110.191 -177.529 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 6.2 ptpp? -110.14 68.34 0.67 Allowed 'General case' 0 C--N 1.326 -0.45 0 CA-C-O 121.651 0.738 . . . . 8.93 110.408 176.585 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 32' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.322 -0.595 0 CA-C-N 116.089 -0.505 . . . . 6.25 . . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 10.6 ptp180 . . . . . 0 N--CA 1.479 1.017 0 N-CA-C 109.936 -0.394 . . . . 4.31 109.936 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 8.2 Cg_exo -72.1 134.1 22.58 Favored 'Trans proline' 0 N--CA 1.46 -0.449 0 C-N-CA 122.056 1.837 . . . . 1.0 111.03 173.964 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 91.5 m-85 -87.88 90.75 8.5 Favored 'General case' 0 C--N 1.32 -0.717 0 CA-C-O 121.316 0.579 . . . . 0.73 109.75 -177.476 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 4' ' ' NLE . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 32.2 t -70.14 106.24 3.21 Favored 'General case' 0 C--N 1.321 -0.668 0 CA-C-N 115.713 -0.676 . . . . 0.19 109.781 173.567 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 3.2 m -89.19 34.97 0.79 Allowed 'General case' 0 C--N 1.319 -0.741 0 CA-C-O 121.418 0.627 . . . . 1.03 110.718 -176.756 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 7' ' ' TRP . . . . . . . . . . . . . 36.2 t-105 -74.77 151.34 39.14 Favored 'General case' 0 N--CA 1.451 -0.425 0 N-CA-C 109.106 -0.701 . . . . 0.68 109.106 175.276 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 8' ' ' AIB . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.541 0.627 0 O-C-N 123.864 0.727 . . . . 0.78 110.584 -177.35 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 75.72 13.49 82.98 Favored Glycine 0 N--CA 1.45 -0.411 0 C-N-CA 121.283 -0.484 . . . . 0.81 113.766 174.761 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 11.3 t -95.57 -73.67 0.58 Allowed 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 117.608 0.704 . . . . 0.45 110.52 -179.338 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 61.3 35.6 91.19 Favored Glycine 0 C--N 1.33 0.239 0 C-N-CA 120.78 -0.724 . . . . 0.28 112.837 178.044 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 20.7 tptp -83.93 119.52 24.98 Favored 'General case' 0 C--N 1.322 -0.594 0 N-CA-C 109.207 -0.664 . . . . 2.23 109.207 178.632 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 87.6 mtm180 -100.26 141.21 33.41 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-O 121.057 0.456 . . . . 3.21 111.744 -175.422 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 53.1 m-85 -132.85 155.41 49.05 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 115.58 -0.736 . . . . 0.25 110.154 179.641 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 15.1 t -106.33 11.43 31.0 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-O 121.032 0.444 . . . . 1.16 110.363 177.77 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 16' ' ' ARG . . . . . 0.465 ' HB2' ' HB2' ' A' ' 19' ' ' GLU . 65.8 mtm180 -134.81 134.24 40.65 Favored 'General case' 0 C--O 1.234 0.281 0 CA-C-N 115.975 -0.557 . . . . 4.11 109.801 177.722 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 2.1 m -64.86 -42.06 95.17 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.726 -0.67 . . . . 0.75 111.182 -176.324 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 7.9 p-10 -70.15 -28.84 65.66 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.87 -0.604 . . . . 1.91 110.518 -179.399 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 19' ' ' GLU . . . . . 0.465 ' HB2' ' HB2' ' A' ' 16' ' ' ARG . 7.7 tp10 -65.31 -43.5 90.84 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 115.913 -0.585 . . . . 1.38 109.836 178.298 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 41.5 tp -64.37 -43.97 92.82 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.897 -0.592 . . . . 0.17 110.993 176.488 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 19.2 mm-40 -61.43 -44.98 96.18 Favored 'General case' 0 C--O 1.236 0.355 0 CA-C-O 121.049 0.452 . . . . 2.34 110.642 178.996 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 75.6 ttt180 -59.29 -44.6 92.48 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.748 -0.66 . . . . 2.47 110.339 175.632 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 39.9 t60 -59.6 -42.62 92.99 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.848 -0.614 . . . . 0.19 110.981 178.969 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 68.5 mttm -53.63 -28.94 35.6 Favored 'General case' 0 N--CA 1.465 0.307 0 CA-C-O 120.696 0.284 . . . . 1.43 111.446 -179.46 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 25' ' ' ARG . . . . . 0.507 ' HA ' ' CA ' ' A' ' 29' ' ' GLY . 89.5 mtt180 -68.1 -9.37 45.81 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.283 -0.417 . . . . 2.9 112.058 -177.614 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 72.2 p -82.12 -25.5 34.36 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-O 121.038 0.447 . . . . 0.83 110.264 174.895 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 98.1 m-70 -88.77 -48.86 7.21 Favored 'General case' 0 C--N 1.331 -0.2 0 N-CA-C 109.574 -0.528 . . . . 0.38 109.574 176.455 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 11.9 t -165.64 -35.5 0.03 OUTLIER 'General case' 0 CA--C 1.533 0.315 0 CA-C-N 115.979 -0.555 . . . . 1.78 110.744 -179.082 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 29' ' ' GLY . . . . . 0.507 ' CA ' ' HA ' ' A' ' 25' ' ' ARG . . . 106.04 -151.37 17.03 Favored Glycine 0 N--CA 1.45 -0.42 0 C-N-CA 120.74 -0.743 . . . . 3.94 113.009 176.095 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 36.7 tt0 -73.32 -38.54 65.78 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-O 121.288 0.566 . . . . 7.52 110.145 -179.049 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 46.6 mmtm -80.35 -73.42 0.36 Allowed 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 115.682 -0.69 . . . . 8.93 110.034 -179.282 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 32' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.322 -0.6 0 CA-C-N 116.357 -0.383 . . . . 6.25 . . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 80.8 mtp180 . . . . . 0 N--CA 1.479 1.013 0 N-CA-C 110.531 -0.174 . . . . 4.31 110.531 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 4.4 Cg_exo -75.38 117.08 4.7 Favored 'Trans proline' 0 N--CA 1.458 -0.584 0 C-N-CA 122.371 2.047 . . . . 1.0 111.122 172.939 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 3' ' ' PHE . . . . . 0.534 ' CZ ' ' HB3' ' A' ' 17' ' ' SER . 97.5 m-85 -94.61 140.89 29.27 Favored 'General case' 0 C--N 1.318 -0.795 0 CA-C-N 116.349 -0.387 . . . . 0.73 110.066 -179.539 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 4' ' ' NLE . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 29.2 t -74.67 101.87 4.42 Favored 'General case' 0 C--N 1.318 -0.764 0 CA-C-N 115.963 -0.562 . . . . 0.19 110.041 175.038 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 3.2 m -88.29 49.55 1.82 Allowed 'General case' 0 C--N 1.321 -0.632 0 CA-C-O 121.541 0.686 . . . . 1.03 110.402 -178.662 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 7' ' ' TRP . . . . . . . . . . . . . 36.6 t-105 -87.21 147.56 25.53 Favored 'General case' 0 C--N 1.326 -0.426 0 N-CA-C 108.645 -0.872 . . . . 0.68 108.645 174.782 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 8' ' ' AIB . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.539 0.555 0 O-C-N 123.833 0.708 . . . . 0.78 110.471 -178.793 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 89.34 39.11 6.46 Favored Glycine 0 N--CA 1.445 -0.726 0 C-N-CA 121.006 -0.616 . . . . 0.81 112.896 175.859 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 18.9 t -129.75 -81.77 0.56 Allowed 'General case' 0 C--N 1.324 -0.536 0 C-N-CA 121.008 -0.277 . . . . 0.45 110.369 177.642 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 65.95 39.19 94.79 Favored Glycine 0 N--CA 1.449 -0.446 0 C-N-CA 120.823 -0.703 . . . . 0.28 113.522 177.361 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 34.9 mmtp -83.35 140.91 32.15 Favored 'General case' 0 C--N 1.325 -0.472 0 N-CA-C 109.94 -0.393 . . . . 2.23 109.94 175.619 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 81.7 mtt180 -109.96 137.72 47.35 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-O 120.79 0.329 . . . . 3.21 111.048 -175.763 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 54.8 m-85 -134.11 153.38 51.86 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 115.912 -0.585 . . . . 0.25 109.968 -178.766 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 7.6 m -100.33 -8.34 23.48 Favored 'General case' 0 C--N 1.321 -0.631 0 CA-C-O 121.53 0.681 . . . . 1.16 109.956 176.636 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 16' ' ' ARG . . . . . 0.522 ' HB2' ' HB2' ' A' ' 19' ' ' GLU . 70.8 mtt180 -113.61 132.04 55.89 Favored 'General case' 0 C--N 1.322 -0.63 0 CA-C-N 115.627 -0.715 . . . . 4.11 109.914 -179.973 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 17' ' ' SER . . . . . 0.534 ' HB3' ' CZ ' ' A' ' 3' ' ' PHE . 12.0 p -70.55 -33.87 71.61 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-O 121.239 0.542 . . . . 0.75 110.502 179.459 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 6.2 p-10 -73.89 -27.75 61.21 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 115.83 -0.623 . . . . 1.91 110.478 178.541 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 19' ' ' GLU . . . . . 0.522 ' HB2' ' HB2' ' A' ' 16' ' ' ARG . 7.2 tp10 -68.41 -42.83 78.42 Favored 'General case' 0 C--N 1.329 -0.321 0 N-CA-C 109.554 -0.536 . . . . 1.38 109.554 175.216 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 20' ' ' LEU . . . . . 0.43 HD22 ' HB3' ' A' ' 3' ' ' PHE . 49.7 tp -60.99 -45.11 96.12 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.006 -0.543 . . . . 0.17 110.652 175.285 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 52.1 mt-30 -58.71 -48.88 79.6 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-O 120.953 0.406 . . . . 2.34 110.419 176.255 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 39.3 ttm180 -56.61 -41.5 77.16 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.443 -0.799 . . . . 2.47 110.291 177.432 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 63.6 t60 -65.78 -44.58 85.39 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 115.465 -0.789 . . . . 0.19 111.149 179.832 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 66.9 mttm -55.66 -27.19 48.58 Favored 'General case' 0 C--O 1.238 0.477 0 CA-C-O 120.794 0.33 . . . . 1.43 111.253 -179.359 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 52.4 mtp180 -62.32 -19.93 63.82 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.18 -0.464 . . . . 2.9 111.371 179.848 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 80.7 p -71.72 -47.67 52.35 Favored 'General case' 0 C--N 1.33 -0.276 0 C-N-CA 121.005 -0.278 . . . . 0.83 110.513 179.826 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 98.7 m-70 -66.83 -37.68 84.97 Favored 'General case' 0 CA--C 1.518 -0.266 0 CA-C-O 121.257 0.551 . . . . 0.38 110.067 -179.12 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 22.2 p -81.69 5.85 17.1 Favored 'General case' 0 N--CA 1.449 -0.493 0 CA-C-N 115.542 -0.754 . . . . 1.78 111.028 -179.607 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -113.02 4.89 25.57 Favored Glycine 0 N--CA 1.446 -0.645 0 CA-C-N 115.892 -0.595 . . . . 3.94 111.858 177.792 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 45.2 mt-10 -92.03 149.57 21.45 Favored 'General case' 0 C--N 1.327 -0.41 0 N-CA-C 110.177 -0.305 . . . . 7.52 110.177 179.06 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 86.2 tttt -114.95 89.98 3.23 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-O 121.31 0.576 . . . . 8.93 109.941 179.41 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 32' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.32 -0.685 0 CA-C-N 116.293 -0.412 . . . . 6.25 . . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 18.0 mmm180 . . . . . 0 N--CA 1.478 0.963 0 CA-C-O 120.65 0.262 . . . . 4.31 111.204 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 94.4 Cg_endo -81.61 147.51 15.63 Favored 'Trans proline' 0 N--CA 1.457 -0.636 0 C-N-CA 122.25 1.967 . . . . 1.0 111.631 175.647 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 3' ' ' PHE . . . . . 0.521 ' HB3' HD22 ' A' ' 20' ' ' LEU . 96.8 m-85 -117.65 105.05 11.63 Favored 'General case' 0 C--N 1.319 -0.731 0 CA-C-O 120.915 0.388 . . . . 0.73 110.46 -179.612 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 4' ' ' NLE . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 42.9 t -78.5 101.86 7.57 Favored 'General case' 0 C--N 1.32 -0.705 0 CA-C-N 115.735 -0.666 . . . . 0.19 110.111 175.313 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 9.8 p -88.42 34.47 0.75 Allowed 'General case' 0 C--N 1.32 -0.692 0 CA-C-N 115.724 -0.671 . . . . 1.03 111.449 -178.281 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 7' ' ' TRP . . . . . . . . . . . . . 54.0 t-105 -68.56 149.05 49.66 Favored 'General case' 0 N--CA 1.452 -0.348 0 N-CA-C 109.247 -0.649 . . . . 0.68 109.247 174.882 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 8' ' ' AIB . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.539 0.549 0 O-C-N 124.115 0.884 . . . . 0.78 110.462 -178.116 . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 83.43 26.49 43.02 Favored Glycine 0 N--CA 1.447 -0.613 0 C-N-CA 121.294 -0.479 . . . . 0.81 113.354 174.61 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 19.1 t -108.37 -84.29 0.54 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 117.264 0.532 . . . . 0.45 111.005 178.819 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 73.43 35.32 56.31 Favored Glycine 0 CA--C 1.519 0.327 0 C-N-CA 120.474 -0.87 . . . . 0.28 112.944 179.909 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 15.5 tptp -84.37 125.02 31.92 Favored 'General case' 0 C--N 1.324 -0.505 0 N-CA-C 109.151 -0.685 . . . . 2.23 109.151 176.246 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 53.2 mtt180 -107.51 140.02 41.13 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-O 121.054 0.454 . . . . 3.21 111.856 -174.564 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 47.0 m-85 -134.81 171.67 14.06 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.542 -0.754 . . . . 0.25 109.914 -178.546 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 19.0 m -108.99 -11.58 14.95 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 121.359 0.599 . . . . 1.16 110.383 175.983 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 86.0 mtm180 -120.1 132.41 55.42 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-N 116.053 -0.521 . . . . 4.11 110.793 -176.26 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 17' ' ' SER . . . . . 0.414 ' HB3' ' CE1' ' A' ' 3' ' ' PHE . 13.5 p -66.43 -34.9 78.98 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.46 -0.791 . . . . 0.75 110.866 -177.965 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 31.4 t70 -68.35 -35.0 77.09 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 115.77 -0.65 . . . . 1.91 110.19 177.507 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 39.5 tt0 -68.64 -42.78 77.54 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 115.568 -0.742 . . . . 1.38 109.869 178.307 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 20' ' ' LEU . . . . . 0.521 HD22 ' HB3' ' A' ' 3' ' ' PHE . 48.7 tp -60.63 -44.71 96.04 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 115.919 -0.582 . . . . 0.17 110.699 174.17 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 6.0 tp-100 -59.52 -51.12 71.22 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-O 121.009 0.433 . . . . 2.34 110.481 178.692 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 62.3 ttp180 -52.64 -51.05 61.85 Favored 'General case' 0 C--O 1.234 0.245 0 CA-C-N 115.522 -0.763 . . . . 2.47 109.939 177.198 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 27.5 t60 -55.32 -48.06 74.73 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.286 -0.87 . . . . 0.19 111.047 178.195 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 24' ' ' LYS . . . . . 0.464 ' HG3' ' O ' ' A' ' 20' ' ' LEU . 52.9 mtmt -60.78 -25.2 66.35 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.652 0.263 . . . . 1.43 111.407 -176.675 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 91.8 mtt180 -73.56 3.28 6.42 Favored 'General case' 0 N--CA 1.45 -0.473 0 C-N-CA 120.958 -0.297 . . . . 2.9 111.511 179.643 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 70.7 p -90.51 -24.42 20.65 Favored 'General case' 0 N--CA 1.454 -0.272 0 N-CA-C 109.822 -0.436 . . . . 0.83 109.822 170.022 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 97.7 m-70 -83.89 -53.93 5.24 Favored 'General case' 0 CA--C 1.52 -0.18 0 N-CA-C 109.263 -0.643 . . . . 0.38 109.263 175.815 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 30.9 p -90.33 113.86 25.81 Favored 'General case' 0 N--CA 1.449 -0.49 0 CA-C-N 115.587 -0.733 . . . . 1.78 111.221 -176.636 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -83.78 89.51 1.55 Allowed Glycine 0 N--CA 1.448 -0.522 0 N-CA-C 111.339 -0.705 . . . . 3.94 111.339 176.291 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 37.8 mt-10 -68.9 166.36 17.95 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-O 120.701 0.286 . . . . 7.52 111.401 -175.499 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 86.3 tttt 60.51 82.75 0.15 Allowed 'General case' 0 C--O 1.233 0.237 0 CA-C-N 115.429 -0.805 . . . . 8.93 110.917 179.494 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 32' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.32 -0.709 0 CA-C-N 115.613 -0.721 . . . . 6.25 . . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 75.4 mtm180 . . . . . 0 N--CA 1.477 0.916 0 N-CA-C 110.195 -0.298 . . . . 4.31 110.195 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 8.1 Cg_exo -72.54 124.76 10.07 Favored 'Trans proline' 0 C--O 1.236 0.389 0 C-N-CA 122.245 1.963 . . . . 1.0 111.779 175.894 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 3' ' ' PHE . . . . . 0.513 ' CZ ' ' HB3' ' A' ' 17' ' ' SER . 96.1 m-85 -108.0 146.57 32.3 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 116.36 -0.382 . . . . 0.73 110.101 179.191 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 4' ' ' NLE . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 36.8 t -82.85 106.11 14.42 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 115.776 -0.647 . . . . 0.19 110.45 176.865 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 12.6 p -88.99 33.14 0.79 Allowed 'General case' 0 C--N 1.322 -0.628 0 CA-C-N 116.162 -0.472 . . . . 1.03 111.76 -177.471 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 7' ' ' TRP . . . . . . . . . . . . . 40.7 t-105 -72.36 149.64 44.17 Favored 'General case' 0 C--N 1.329 -0.305 0 N-CA-C 109.306 -0.627 . . . . 0.68 109.306 175.476 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 8' ' ' AIB . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.541 0.601 0 O-C-N 123.829 0.706 . . . . 0.78 110.672 -178.005 . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 76.72 28.06 59.84 Favored Glycine 0 N--CA 1.451 -0.366 0 C-N-CA 121.317 -0.468 . . . . 0.81 113.555 174.691 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 10.0 t -109.34 -79.97 0.58 Allowed 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 117.202 0.501 . . . . 0.45 110.245 178.344 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 66.55 29.66 75.16 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.692 -0.766 . . . . 0.28 113.191 177.038 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 12' ' ' LYS . . . . . 0.408 ' HD3' ' CE1' ' A' ' 23' ' ' HIS . 62.7 tttp -80.24 129.79 34.75 Favored 'General case' 0 C--N 1.327 -0.381 0 N-CA-C 109.449 -0.575 . . . . 2.23 109.449 176.5 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 76.1 mtm180 -104.65 144.14 32.13 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-N 116.094 -0.503 . . . . 3.21 111.583 -173.671 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 65.1 m-85 -133.59 160.26 38.01 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.572 -0.74 . . . . 0.25 110.346 -177.9 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 1.1 p -106.25 -7.03 18.01 Favored 'General case' 0 C--N 1.321 -0.669 0 CA-C-O 121.461 0.648 . . . . 1.16 110.154 172.624 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 19.0 mmm180 -122.08 129.18 52.16 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 115.311 -0.859 . . . . 4.11 110.929 179.562 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 17' ' ' SER . . . . . 0.513 ' HB3' ' CZ ' ' A' ' 3' ' ' PHE . 9.2 p -67.29 -32.68 73.83 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.327 -0.851 . . . . 0.75 110.834 -179.445 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 7.1 p-10 -67.17 -36.04 80.95 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.101 -0.499 . . . . 1.91 110.18 177.767 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 19.4 mm-40 -63.11 -47.3 83.39 Favored 'General case' 0 CA--C 1.518 -0.281 0 CA-C-N 115.961 -0.563 . . . . 1.38 110.245 174.36 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 20' ' ' LEU . . . . . 0.413 HD22 ' HB3' ' A' ' 3' ' ' PHE . 56.0 tp -59.39 -45.4 91.58 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.2 -0.455 . . . . 0.17 111.194 178.087 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 21' ' ' GLN . . . . . 0.412 ' O ' ' HG3' ' A' ' 25' ' ' ARG . 78.3 mt-30 -62.44 -50.83 69.91 Favored 'General case' 0 C--O 1.239 0.507 0 CA-C-O 120.814 0.34 . . . . 2.34 111.142 -179.682 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 13.4 ttp180 -58.78 -41.77 87.44 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.211 -0.45 . . . . 2.47 109.883 177.944 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 23' ' ' HIS . . . . . 0.408 ' CE1' ' HD3' ' A' ' 12' ' ' LYS . 35.2 t60 -59.1 -46.29 88.68 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 115.545 -0.752 . . . . 0.19 110.67 177.881 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 55.6 mttm -57.11 -28.22 62.48 Favored 'General case' 0 C--O 1.237 0.447 0 CA-C-O 120.945 0.402 . . . . 1.43 111.019 179.481 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 25' ' ' ARG . . . . . 0.412 ' HG3' ' O ' ' A' ' 21' ' ' GLN . 89.1 mtt180 -65.61 -15.82 63.11 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.09 -0.504 . . . . 2.9 111.282 179.556 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 43.7 p -85.61 -10.27 56.07 Favored 'General case' 0 C--N 1.333 -0.142 0 CA-C-O 120.809 0.338 . . . . 0.83 111.024 178.606 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 97.1 m-70 -97.38 -47.14 5.81 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 121.327 0.585 . . . . 0.38 109.583 173.41 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 19.6 p -75.15 -36.47 61.55 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 115.529 -0.76 . . . . 1.78 111.798 -176.73 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -125.57 74.46 0.41 Allowed Glycine 0 N--CA 1.448 -0.508 0 C-N-CA 120.6 -0.809 . . . . 3.94 112.43 -177.993 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 44.1 mt-10 -79.57 -51.73 8.91 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-O 121.262 0.553 . . . . 7.52 109.724 177.879 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 55.5 tttm -151.82 87.05 1.33 Allowed 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 115.515 -0.766 . . . . 8.93 109.547 178.307 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 32' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.319 -0.731 0 CA-C-N 116.158 -0.474 . . . . 6.25 . . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 3.9 mmp_? . . . . . 0 N--CA 1.479 0.993 0 N-CA-C 110.044 -0.354 . . . . 4.31 110.044 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 95.4 Cg_endo -79.39 148.22 20.8 Favored 'Trans proline' 0 N--CA 1.459 -0.519 0 C-N-CA 122.226 1.95 . . . . 1.0 111.9 177.217 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 3' ' ' PHE . . . . . 0.412 ' CZ ' ' HB3' ' A' ' 17' ' ' SER . 99.2 m-85 -115.46 141.6 47.83 Favored 'General case' 0 C--N 1.321 -0.655 0 CA-C-N 116.189 -0.46 . . . . 0.73 110.092 -179.504 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 4' ' ' NLE . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 48.8 t -78.86 95.83 5.5 Favored 'General case' 0 C--N 1.321 -0.665 0 CA-C-O 120.985 0.421 . . . . 0.19 110.097 177.123 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 15.0 p -84.31 39.42 0.72 Allowed 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 115.529 -0.76 . . . . 1.03 111.279 -179.406 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 7' ' ' TRP . . . . . . . . . . . . . 5.1 t-105 -86.4 87.03 7.35 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.209 -0.45 . . . . 0.68 110.552 -177.597 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 8' ' ' AIB . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.475 0.776 0 O-C-N 124.061 0.851 . . . . 0.78 111.714 173.156 . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 87.82 30.92 16.55 Favored Glycine 0 N--CA 1.45 -0.414 0 C-N-CA 120.56 -0.828 . . . . 0.81 113.242 175.388 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 10' ' ' CYS . . . . . 0.697 ' SG ' ' HD3' ' A' ' 12' ' ' LYS . 34.3 t -79.82 -58.71 3.04 Favored 'General case' 0 C--N 1.321 -0.634 0 N-CA-C 109.603 -0.517 . . . . 0.45 109.603 176.76 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 79.8 4.21 89.39 Favored Glycine 0 N--CA 1.451 -0.362 0 N-CA-C 114.873 0.709 . . . . 0.28 114.873 167.645 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 12' ' ' LYS . . . . . 0.697 ' HD3' ' SG ' ' A' ' 10' ' ' CYS . 13.8 mptt -71.25 125.37 26.77 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 117.698 0.749 . . . . 2.23 110.178 179.474 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 35.1 mtp85 -102.99 143.76 32.14 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-O 121.093 0.473 . . . . 3.21 111.182 -177.432 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 59.8 m-85 -137.73 153.64 49.72 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-N 115.658 -0.701 . . . . 0.25 109.682 -179.803 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 11.5 p -102.44 5.71 39.75 Favored 'General case' 0 C--N 1.319 -0.741 0 CA-C-O 120.99 0.424 . . . . 1.16 110.914 177.988 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 16' ' ' ARG . . . . . 0.406 ' HB2' ' HB2' ' A' ' 19' ' ' GLU . 46.8 mtp180 -136.12 134.06 37.92 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 115.883 -0.599 . . . . 4.11 110.162 -179.857 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 17' ' ' SER . . . . . 0.412 ' HB3' ' CZ ' ' A' ' 3' ' ' PHE . 22.5 p -67.09 -33.76 76.18 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.886 -0.597 . . . . 0.75 110.606 -178.966 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 19.1 t70 -65.71 -35.82 81.84 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.715 -0.675 . . . . 1.91 110.202 176.38 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 19' ' ' GLU . . . . . 0.491 ' OE2' ' HD3' ' A' ' 22' ' ' ARG . 8.3 tp10 -68.64 -41.13 79.84 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 115.47 -0.786 . . . . 1.38 109.574 179.081 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 20' ' ' LEU . . . . . 0.441 ' O ' ' HG2' ' A' ' 24' ' ' LYS . 60.3 tp -61.89 -48.78 78.96 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.737 -0.665 . . . . 0.17 110.781 175.706 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 21' ' ' GLN . . . . . 0.511 ' O ' ' HG3' ' A' ' 25' ' ' ARG . 15.3 mm100 -59.93 -46.63 88.77 Favored 'General case' 0 C--O 1.236 0.348 0 CA-C-O 120.958 0.408 . . . . 2.34 110.738 178.644 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 22' ' ' ARG . . . . . 0.491 ' HD3' ' OE2' ' A' ' 19' ' ' GLU . 74.8 ttt180 -51.02 -53.0 37.31 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.425 -0.807 . . . . 2.47 109.89 175.309 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 41.3 t60 -57.86 -45.51 86.18 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 115.389 -0.823 . . . . 0.19 110.872 178.308 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 24' ' ' LYS . . . . . 0.441 ' HG2' ' O ' ' A' ' 20' ' ' LEU . 71.2 mmtt -55.24 -29.54 58.25 Favored 'General case' 0 C--O 1.237 0.432 0 CA-C-O 120.685 0.279 . . . . 1.43 111.177 -178.885 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 25' ' ' ARG . . . . . 0.563 ' HA ' ' OG1' ' A' ' 28' ' ' THR . 74.9 mtp180 -64.71 -13.39 54.38 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.3 -0.409 . . . . 2.9 111.691 -178.286 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 80.3 p -78.8 -33.07 46.51 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.847 0.356 . . . . 0.83 110.166 175.175 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 96.7 m-70 -74.84 -38.03 62.1 Favored 'General case' 0 CA--C 1.517 -0.296 0 CA-C-O 121.362 0.601 . . . . 0.38 109.483 177.605 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 28' ' ' THR . . . . . 0.591 ' HA ' ' N ' ' A' ' 32' ' ' NH2 . 18.3 p -82.39 4.1 25.35 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.513 -0.767 . . . . 1.78 111.76 -178.684 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -66.2 -50.63 49.89 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.964 -0.636 . . . . 3.94 111.883 178.15 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 7.6 mp0 -107.38 -49.37 3.27 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-O 121.192 0.52 . . . . 7.52 109.903 176.388 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 28.6 tptp -81.88 -76.16 0.27 Allowed 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 115.671 -0.695 . . . . 8.93 110.732 -176.0 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 32' ' ' NH2 . . . . . 0.591 ' N ' ' HA ' ' A' ' 28' ' ' THR . . . . . . . . 0 C--N 1.321 -0.67 0 CA-C-N 116.536 -0.302 . . . . 6.25 . . . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 37.9 ptt180 . . . . . 0 N--CA 1.481 1.121 0 N-CA-C 110.497 -0.186 . . . . 4.31 110.497 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 98.6 Cg_endo -80.4 152.07 20.37 Favored 'Trans proline' 0 N--CA 1.458 -0.578 0 C-N-CA 122.214 1.943 . . . . 1.0 112.068 176.169 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 96.7 m-85 -121.11 142.16 50.11 Favored 'General case' 0 C--N 1.319 -0.721 0 CA-C-N 115.948 -0.569 . . . . 0.73 109.632 -179.52 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 4' ' ' NLE . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 42.8 t -81.14 95.86 7.01 Favored 'General case' 0 C--N 1.319 -0.736 0 CA-C-N 115.442 -0.799 . . . . 0.19 110.133 177.245 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 8.3 p -87.23 39.39 0.86 Allowed 'General case' 0 C--N 1.32 -0.677 0 CA-C-N 116.115 -0.493 . . . . 1.03 111.237 -179.105 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 7' ' ' TRP . . . . . . . . . . . . . 39.9 t-105 -67.6 144.11 55.73 Favored 'General case' 0 N--CA 1.45 -0.452 0 N-CA-C 108.881 -0.785 . . . . 0.68 108.881 174.744 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 8' ' ' AIB . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.539 0.532 0 O-C-N 124.099 0.874 . . . . 0.78 110.381 -178.886 . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 92.03 27.1 17.14 Favored Glycine 0 N--CA 1.446 -0.665 0 C-N-CA 120.946 -0.645 . . . . 0.81 112.884 177.072 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 37.9 t -116.22 -83.04 0.63 Allowed 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 117.215 0.508 . . . . 0.45 111.042 177.516 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 70.34 40.82 69.2 Favored Glycine 0 C--N 1.331 0.254 0 C-N-CA 120.699 -0.762 . . . . 0.28 112.737 -179.904 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 14.4 tptp -90.12 126.83 35.93 Favored 'General case' 0 C--N 1.324 -0.526 0 N-CA-C 109.24 -0.652 . . . . 2.23 109.24 176.856 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 34.3 ttt180 -110.41 136.87 48.9 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-O 121.001 0.429 . . . . 3.21 111.291 -173.347 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 59.1 m-85 -133.12 168.08 19.16 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.81 -0.632 . . . . 0.25 110.127 -177.234 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 3.4 p -115.48 0.37 13.34 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-O 121.074 0.464 . . . . 1.16 111.278 177.41 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 23.5 mmm180 -130.18 137.98 50.37 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.994 -0.548 . . . . 4.11 111.026 -179.877 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 5.9 p -66.32 -40.55 90.01 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.263 -0.881 . . . . 0.75 110.915 -178.684 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 31.9 m-20 -61.39 -33.86 74.38 Favored 'General case' 0 CA--C 1.518 -0.287 0 CA-C-N 115.973 -0.558 . . . . 1.91 110.07 178.349 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 5.4 tp10 -68.76 -48.78 62.87 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 115.214 -0.903 . . . . 1.38 109.66 -179.868 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 56.9 tp -59.97 -42.86 95.05 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 115.851 -0.613 . . . . 0.17 110.891 177.81 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 79.5 mm-40 -60.49 -50.04 75.14 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.734 0.302 . . . . 2.34 111.107 179.329 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 79.5 ttt180 -57.87 -45.24 86.63 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.148 -0.478 . . . . 2.47 109.801 178.21 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 43.1 t60 -60.35 -44.66 95.34 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.578 -0.737 . . . . 0.19 110.961 178.949 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 69.6 mmtt -54.96 -30.09 58.16 Favored 'General case' 0 C--O 1.236 0.386 0 CA-C-O 120.893 0.378 . . . . 1.43 111.025 -179.448 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 25' ' ' ARG . . . . . 0.411 ' O ' ' HA3' ' A' ' 29' ' ' GLY . 85.2 mtt180 -79.68 13.0 2.26 Favored 'General case' 0 N--CA 1.449 -0.51 0 CA-C-N 115.979 -0.555 . . . . 2.9 111.953 -177.71 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 61.9 p -93.11 -33.36 14.09 Favored 'General case' 0 C--N 1.33 -0.267 0 N-CA-C 109.179 -0.675 . . . . 0.83 109.179 166.732 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 96.5 m-70 -79.1 -40.58 30.78 Favored 'General case' 0 C--N 1.331 -0.196 0 N-CA-C 108.989 -0.745 . . . . 0.38 108.989 175.658 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 21.4 p -110.28 46.84 1.0 Allowed 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.155 -0.93 . . . . 1.78 110.705 -179.137 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 29' ' ' GLY . . . . . 0.411 ' HA3' ' O ' ' A' ' 25' ' ' ARG . . . -146.14 -165.95 11.78 Favored Glycine 0 N--CA 1.447 -0.572 0 C-N-CA 120.692 -0.766 . . . . 3.94 112.11 -178.143 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 32.3 mm-40 -72.35 -51.37 20.91 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-O 120.702 0.287 . . . . 7.52 111.1 -176.885 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 23.2 tptm -104.35 81.79 1.86 Allowed 'General case' 0 C--N 1.323 -0.548 0 CA-C-O 121.435 0.636 . . . . 8.93 109.715 177.753 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 32' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.318 -0.784 0 CA-C-N 115.895 -0.593 . . . . 6.25 . . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 67.2 ttt180 . . . . . 0 N--CA 1.48 1.046 0 N-CA-C 109.97 -0.381 . . . . 4.31 109.97 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 73.2 Cg_endo -76.76 143.21 23.47 Favored 'Trans proline' 0 C--N 1.345 0.343 0 C-N-CA 122.351 2.034 . . . . 1.0 111.979 176.064 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 3' ' ' PHE . . . . . 0.511 ' CZ ' ' HB3' ' A' ' 17' ' ' SER . 96.6 m-85 -129.86 144.21 51.2 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 116.247 -0.433 . . . . 0.73 110.105 178.797 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 4' ' ' NLE . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 42.8 t -85.72 99.96 11.68 Favored 'General case' 0 C--N 1.319 -0.753 0 CA-C-N 115.609 -0.723 . . . . 0.19 110.28 176.946 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 3.3 m -84.17 30.65 0.52 Allowed 'General case' 0 C--N 1.322 -0.592 0 CA-C-N 115.63 -0.714 . . . . 1.03 110.963 -177.804 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 7' ' ' TRP . . . . . . . . . . . . . 32.2 t-105 -67.68 142.36 56.37 Favored 'General case' 0 N--CA 1.45 -0.47 0 N-CA-C 108.89 -0.782 . . . . 0.68 108.89 175.714 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 8' ' ' AIB . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.54 0.562 0 O-C-N 123.995 0.809 . . . . 0.78 110.728 -177.173 . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 88.16 10.07 69.32 Favored Glycine 0 N--CA 1.45 -0.431 0 C-N-CA 120.909 -0.662 . . . . 0.81 113.451 174.452 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 19.9 t -99.4 -81.2 0.46 Allowed 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 117.185 0.493 . . . . 0.45 110.829 -178.961 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 67.97 37.59 87.94 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.339 -0.934 . . . . 0.28 112.753 178.439 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 50.7 tptt -83.26 131.61 35.08 Favored 'General case' 0 C--N 1.324 -0.504 0 N-CA-C 109.093 -0.706 . . . . 2.23 109.093 175.422 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 87.9 mtm180 -108.72 146.11 34.03 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-O 121.216 0.531 . . . . 3.21 112.034 -173.044 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 64.9 m-85 -142.03 167.78 21.3 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.262 -0.881 . . . . 0.25 109.919 -178.685 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 7.4 m -120.84 -2.71 9.76 Favored 'General case' 0 C--N 1.32 -0.704 0 CA-C-O 121.533 0.682 . . . . 1.16 109.841 174.945 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 30.7 mmt180 -121.94 132.89 54.79 Favored 'General case' 0 C--O 1.237 0.433 0 CA-C-N 115.708 -0.678 . . . . 4.11 110.605 179.04 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 17' ' ' SER . . . . . 0.511 ' HB3' ' CZ ' ' A' ' 3' ' ' PHE . 6.7 p -69.41 -38.55 77.98 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.246 -0.888 . . . . 0.75 111.833 -174.143 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 14.0 m-20 -69.44 -28.21 65.92 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.306 -0.406 . . . . 1.91 110.195 178.11 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 8.5 tp10 -70.95 -46.33 62.59 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.673 -0.694 . . . . 1.38 109.515 178.172 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 20' ' ' LEU . . . . . 0.415 HD22 ' HB3' ' A' ' 3' ' ' PHE . 47.5 tp -59.34 -40.93 87.97 Favored 'General case' 0 C--O 1.223 -0.339 0 CA-C-N 116.091 -0.504 . . . . 0.17 110.363 173.51 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 33.6 tt0 -58.64 -49.95 75.62 Favored 'General case' 0 C--O 1.239 0.505 0 CA-C-N 116.224 -0.444 . . . . 2.34 110.95 177.788 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 22' ' ' ARG . . . . . 0.419 HH11 ' HD2' ' A' ' 22' ' ' ARG . 38.9 ttm180 -54.7 -49.51 70.53 Favored 'General case' 0 CA--C 1.519 -0.246 0 CA-C-N 115.83 -0.623 . . . . 2.47 109.908 176.032 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 45.3 t60 -57.62 -40.84 80.06 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 115.307 -0.861 . . . . 0.19 111.062 179.432 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 70.9 mmtt -60.79 -32.91 72.24 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-O 120.85 0.357 . . . . 1.43 110.475 177.717 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 25' ' ' ARG . . . . . 0.538 ' HA ' ' OG1' ' A' ' 28' ' ' THR . 98.8 mtt180 -69.93 -10.33 58.16 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.185 -0.461 . . . . 2.9 110.605 178.143 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 11.9 m -82.7 -20.84 35.33 Favored 'General case' 0 CA--C 1.535 0.386 0 CA-C-N 116.09 -0.505 . . . . 0.83 110.335 175.665 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 97.6 m-70 -91.32 -35.41 14.45 Favored 'General case' 0 CA--C 1.522 -0.122 0 N-CA-C 109.202 -0.666 . . . . 0.38 109.202 172.608 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 28' ' ' THR . . . . . 0.538 ' OG1' ' HA ' ' A' ' 25' ' ' ARG . 19.7 p -93.82 36.07 1.12 Allowed 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.486 -0.779 . . . . 1.78 110.82 179.128 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 172.73 159.6 19.61 Favored Glycine 0 N--CA 1.444 -0.787 0 CA-C-N 115.712 -0.676 . . . . 3.94 111.569 179.099 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 46.5 mt-10 -126.03 -16.63 5.52 Favored 'General case' 0 C--N 1.322 -0.587 0 CA-C-O 120.947 0.403 . . . . 7.52 110.541 179.906 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 59.5 mtpt -134.15 71.69 1.46 Allowed 'General case' 0 C--N 1.326 -0.429 0 CA-C-O 121.312 0.577 . . . . 8.93 110.299 -179.115 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 32' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.319 -0.724 0 CA-C-N 115.997 -0.547 . . . . 6.25 . . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 1' ' ' ARG . . . . . 0.414 HH11 ' HD2' ' A' ' 1' ' ' ARG . 42.8 mtm180 . . . . . 0 N--CA 1.479 1.006 0 CA-C-O 120.399 0.142 . . . . 4.31 110.671 . . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 84.8 Cg_endo -82.04 124.0 4.24 Favored 'Trans proline' 0 N--CA 1.455 -0.755 0 C-N-CA 122.216 1.944 . . . . 1.0 111.326 173.671 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 84.6 m-85 -82.78 86.59 6.87 Favored 'General case' 0 C--N 1.32 -0.717 0 CA-C-O 121.519 0.676 . . . . 0.73 109.451 -179.397 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 4' ' ' NLE . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 26.7 t -81.89 100.26 9.52 Favored 'General case' 0 C--N 1.318 -0.768 0 CA-C-N 115.414 -0.812 . . . . 0.19 110.239 174.788 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 21.0 p -84.38 35.52 0.55 Allowed 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 116.393 -0.367 . . . . 1.03 111.713 -178.386 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 7' ' ' TRP . . . . . . . . . . . . . 47.1 t-105 -70.31 139.41 52.06 Favored 'General case' 0 N--CA 1.449 -0.492 0 N-CA-C 108.636 -0.876 . . . . 0.68 108.636 174.669 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 8' ' ' AIB . . . . . . . . . . . . . . . . . . . . 0 C--N 1.323 -0.577 0 O-C-N 123.814 0.697 . . . . 0.78 110.142 -175.368 . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 92.29 7.21 63.94 Favored Glycine 0 N--CA 1.446 -0.646 0 C-N-CA 120.835 -0.698 . . . . 0.81 113.001 176.009 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 46.0 t -105.78 -80.62 0.55 Allowed 'General case' 0 C--N 1.324 -0.54 0 O-C-N 122.765 -0.256 . . . . 0.45 110.726 -179.602 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 66.79 36.18 90.78 Favored Glycine 0 CA--C 1.519 0.303 0 C-N-CA 120.753 -0.737 . . . . 0.28 113.054 178.863 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 22.6 tptm -85.13 123.87 31.15 Favored 'General case' 0 C--N 1.323 -0.55 0 N-CA-C 110.12 -0.326 . . . . 2.23 110.12 179.615 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 73.3 mtm180 -97.82 141.1 31.22 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-O 120.829 0.347 . . . . 3.21 111.689 -175.297 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 71.2 m-85 -133.33 158.93 41.74 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.003 -0.544 . . . . 0.25 110.332 177.527 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 11.1 m -104.98 -7.17 19.44 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-O 121.576 0.703 . . . . 1.16 110.107 177.952 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 21.1 mmt180 -122.35 131.04 53.7 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.663 -0.699 . . . . 4.11 110.16 178.844 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 6.9 m -65.57 -38.23 88.96 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 115.968 -0.56 . . . . 0.75 111.36 -177.151 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 4.7 p-10 -69.31 -27.85 65.74 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.391 -0.368 . . . . 1.91 110.44 179.238 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 19' ' ' GLU . . . . . 0.416 ' OE2' ' HD3' ' A' ' 22' ' ' ARG . 9.5 tp10 -69.31 -42.04 75.92 Favored 'General case' 0 C--N 1.323 -0.556 0 N-CA-C 109.387 -0.597 . . . . 1.38 109.387 175.392 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 54.0 tp -62.84 -45.71 91.31 Favored 'General case' 0 C--N 1.332 -0.17 0 CA-C-N 115.844 -0.616 . . . . 0.17 110.76 175.471 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 98.3 mt-30 -60.4 -46.11 91.15 Favored 'General case' 0 C--O 1.237 0.419 0 CA-C-O 121.102 0.477 . . . . 2.34 110.542 177.747 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 22' ' ' ARG . . . . . 0.416 ' HD3' ' OE2' ' A' ' 19' ' ' GLU . 57.0 ttt180 -54.01 -46.23 71.72 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.291 -0.868 . . . . 2.47 110.174 174.666 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 50.8 t60 -63.65 -44.94 92.35 Favored 'General case' 0 C--N 1.321 -0.64 0 CA-C-N 115.272 -0.877 . . . . 0.19 111.278 179.994 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 70.9 mmtt -54.54 -27.3 37.51 Favored 'General case' 0 C--O 1.236 0.387 0 CA-C-N 116.441 -0.345 . . . . 1.43 111.515 -178.14 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 82.8 mtp180 -61.44 -16.72 49.59 Favored 'General case' 0 CA--C 1.53 0.204 0 CA-C-N 116.233 -0.44 . . . . 2.9 111.644 -179.385 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 67.7 p -78.64 -32.22 47.21 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 120.734 0.302 . . . . 0.83 111.297 179.519 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 97.3 m-70 -86.89 -51.1 6.25 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-O 121.015 0.436 . . . . 0.38 110.677 -178.19 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 9.0 t -155.31 -179.27 7.92 Favored 'General case' 0 N--CA 1.449 -0.475 0 CA-C-N 116.0 -0.545 . . . . 1.78 110.495 -171.116 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 98.59 -40.33 2.5 Favored Glycine 0 N--CA 1.448 -0.557 0 N-CA-C 111.054 -0.818 . . . . 3.94 111.054 -176.985 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 12.6 pt-20 -160.54 160.85 32.39 Favored 'General case' 0 C--N 1.321 -0.64 0 N-CA-C 109.12 -0.696 . . . . 7.52 109.12 177.307 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 44.9 mtmt -129.05 -81.38 0.57 Allowed 'General case' 0 C--N 1.322 -0.587 0 CA-C-O 121.199 0.523 . . . . 8.93 110.451 -175.348 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 32' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.32 -0.694 0 CA-C-N 116.181 -0.463 . . . . 6.25 . . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 42.3 t . . . . . 0 N--CA 1.445 -0.694 0 CA-C-O 120.935 0.398 . . . . 0.19 110.523 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 19.9 p -90.55 38.63 0.95 Allowed 'General case' 0 C--N 1.323 -0.58 0 CA-C-N 115.979 -0.555 . . . . 1.03 111.329 -179.322 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 7' ' ' TRP . . . . . . . . . . . . . 54.0 t-105 . . . . . 0 N--CA 1.452 -0.352 0 N-CA-C 109.271 -0.64 . . . . 0.68 109.271 174.738 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.449 -0.474 0 N-CA-C 113.516 0.166 . . . . 0.81 113.516 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 31.9 t -113.11 -73.52 0.66 Allowed 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 117.078 0.439 . . . . 0.45 110.425 177.107 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 65.15 36.27 92.72 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.898 -0.668 . . . . 0.28 113.601 175.414 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 57.5 tttp -90.46 135.05 33.94 Favored 'General case' 0 C--N 1.325 -0.493 0 N-CA-C 109.51 -0.552 . . . . 2.23 109.51 175.65 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 30.1 mtm180 -110.17 146.11 36.09 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-O 121.104 0.478 . . . . 3.21 112.112 -172.497 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 54.3 m-85 -137.71 155.43 49.1 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.233 -0.894 . . . . 0.25 109.726 -179.436 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 10.2 m -98.57 -11.3 22.3 Favored 'General case' 0 C--N 1.321 -0.654 0 CA-C-O 121.508 0.671 . . . . 1.16 109.927 176.558 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 16' ' ' ARG . . . . . 0.402 ' HB3' ' OD1' ' A' ' 18' ' ' ASP . 19.5 mmm180 -116.13 133.86 55.57 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 115.519 -0.764 . . . . 4.11 110.915 178.765 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 17' ' ' SER . . . . . 0.413 ' O ' ' HG2' ' A' ' 21' ' ' GLN . 19.6 p -67.08 -36.52 82.18 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.49 -0.777 . . . . 0.75 110.71 -179.801 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 18' ' ' ASP . . . . . 0.402 ' OD1' ' HB3' ' A' ' 16' ' ' ARG . 6.9 p-10 -64.39 -35.12 79.85 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.681 -0.69 . . . . 1.91 110.223 177.422 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 41.9 mm-40 -63.33 -46.61 85.85 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.924 -0.58 . . . . 1.38 110.647 174.857 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 56.8 tp -60.57 -47.75 84.83 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.15 -0.477 . . . . 0.17 111.226 178.821 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 21' ' ' GLN . . . . . 0.489 ' O ' ' HG3' ' A' ' 25' ' ' ARG . 64.8 mm-40 -63.83 -46.64 84.13 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.879 0.371 . . . . 2.34 110.473 -179.068 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 51.5 ttt180 -52.36 -50.69 61.86 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 115.644 -0.707 . . . . 2.47 110.153 175.266 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 31.3 t60 -58.13 -46.6 85.34 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 115.166 -0.925 . . . . 0.19 111.014 178.638 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 30.3 mmtp -56.14 -28.42 57.92 Favored 'General case' 0 C--O 1.238 0.474 0 CA-C-O 120.827 0.346 . . . . 1.43 111.726 -178.697 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 25' ' ' ARG . . . . . 0.489 ' HG3' ' O ' ' A' ' 21' ' ' GLN . 66.0 mtp180 -64.2 -18.56 64.62 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.205 -0.452 . . . . 2.9 111.411 -178.36 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 59.2 p -79.34 -22.79 44.0 Favored 'General case' 0 C--N 1.33 -0.26 0 C-N-CA 120.939 -0.304 . . . . 0.83 110.672 178.557 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 92.6 m-70 . . . . . 0 CA--C 1.517 -0.319 0 CA-C-O 120.949 0.404 . . . . 0.38 110.103 177.717 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 41.1 t . . . . . 0 N--CA 1.447 -0.591 0 N-CA-C 109.8 -0.444 . . . . 0.19 109.8 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 2.3 m -86.6 18.45 3.34 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-O 121.285 0.564 . . . . 1.03 110.921 -173.854 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 7' ' ' TRP . . . . . . . . . . . . . 33.3 t-105 . . . . . 0 N--CA 1.452 -0.36 0 N-CA-C 109.401 -0.592 . . . . 0.68 109.401 176.755 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.449 -0.478 0 CA-C-O 120.229 -0.206 . . . . 0.81 113.515 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 11.9 t -103.33 -82.52 0.49 Allowed 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 117.303 0.551 . . . . 0.45 110.811 -179.207 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 71.65 29.0 68.23 Favored Glycine 0 CA--C 1.519 0.297 0 C-N-CA 120.529 -0.843 . . . . 0.28 113.161 179.94 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 14.0 tptp -72.13 125.5 27.45 Favored 'General case' 0 C--N 1.326 -0.456 0 N-CA-C 109.479 -0.563 . . . . 2.23 109.479 177.13 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 13' ' ' ARG . . . . . 0.419 HH11 ' HD3' ' A' ' 13' ' ' ARG . 14.2 ttm180 -107.11 140.4 40.01 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-O 120.854 0.359 . . . . 3.21 111.479 -173.973 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 63.6 m-85 -136.2 157.73 46.11 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.854 -0.612 . . . . 0.25 110.605 -177.684 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 18.4 m -93.84 -17.49 23.01 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 116.029 -0.532 . . . . 1.16 110.826 178.364 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 29.1 mtm-85 -123.18 145.5 48.57 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 121.132 0.492 . . . . 4.11 110.645 -179.741 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 11.1 p -72.26 -32.17 66.43 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.34 -0.845 . . . . 0.75 111.111 -178.07 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 4.8 p-10 -70.55 -29.25 65.66 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.94 0.4 . . . . 1.91 110.36 179.538 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . 0.504 ' OE2' ' HD3' ' A' ' 22' ' ' ARG . 8.4 tp10 -72.28 -42.39 65.6 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.845 -0.616 . . . . 1.38 109.412 177.596 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 46.7 tp -61.69 -44.32 97.17 Favored 'General case' 0 C--N 1.332 -0.173 0 CA-C-N 115.791 -0.64 . . . . 0.17 110.531 174.271 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 54.4 tp60 -58.98 -47.27 85.76 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.232 -0.44 . . . . 2.34 110.432 177.895 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 22' ' ' ARG . . . . . 0.504 ' HD3' ' OE2' ' A' ' 19' ' ' GLU . 36.2 ttt180 -55.84 -45.95 78.3 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 115.805 -0.634 . . . . 2.47 110.277 176.036 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 47.2 t60 -60.88 -46.28 91.24 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 115.567 -0.742 . . . . 0.19 111.456 179.914 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 64.3 mttm -56.68 -24.96 52.59 Favored 'General case' 0 N--CA 1.466 0.349 0 N-CA-C 111.986 0.365 . . . . 1.43 111.986 -176.337 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 80.9 mtt180 -60.84 -21.05 62.82 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.263 -0.426 . . . . 2.9 111.299 179.573 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 73.7 p -79.61 -20.88 45.77 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 120.767 0.318 . . . . 0.83 111.204 -178.722 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 98.3 m-70 . . . . . 0 C--N 1.33 -0.272 0 CA-C-O 121.008 0.433 . . . . 0.38 109.902 176.508 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 32.2 t . . . . . 0 N--CA 1.449 -0.506 0 N-CA-C 109.781 -0.451 . . . . 0.19 109.781 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 3.2 m -89.19 34.97 0.79 Allowed 'General case' 0 C--N 1.319 -0.741 0 CA-C-O 121.418 0.627 . . . . 1.03 110.718 -176.756 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 7' ' ' TRP . . . . . . . . . . . . . 36.2 t-105 . . . . . 0 N--CA 1.451 -0.425 0 N-CA-C 109.106 -0.701 . . . . 0.68 109.106 175.276 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.411 0 N-CA-C 113.766 0.267 . . . . 0.81 113.766 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 11.3 t -95.57 -73.67 0.58 Allowed 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 117.608 0.704 . . . . 0.45 110.52 -179.338 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 61.3 35.6 91.19 Favored Glycine 0 C--N 1.33 0.239 0 C-N-CA 120.78 -0.724 . . . . 0.28 112.837 178.044 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 20.7 tptp -83.93 119.52 24.98 Favored 'General case' 0 C--N 1.322 -0.594 0 N-CA-C 109.207 -0.664 . . . . 2.23 109.207 178.632 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 87.6 mtm180 -100.26 141.21 33.41 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-O 121.057 0.456 . . . . 3.21 111.744 -175.422 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 53.1 m-85 -132.85 155.41 49.05 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 115.58 -0.736 . . . . 0.25 110.154 179.641 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 15.1 t -106.33 11.43 31.0 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-O 121.032 0.444 . . . . 1.16 110.363 177.77 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 16' ' ' ARG . . . . . 0.465 ' HB2' ' HB2' ' A' ' 19' ' ' GLU . 65.8 mtm180 -134.81 134.24 40.65 Favored 'General case' 0 C--O 1.234 0.281 0 CA-C-N 115.975 -0.557 . . . . 4.11 109.801 177.722 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 2.1 m -64.86 -42.06 95.17 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.726 -0.67 . . . . 0.75 111.182 -176.324 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 7.9 p-10 -70.15 -28.84 65.66 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.87 -0.604 . . . . 1.91 110.518 -179.399 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . 0.465 ' HB2' ' HB2' ' A' ' 16' ' ' ARG . 7.7 tp10 -65.31 -43.5 90.84 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 115.913 -0.585 . . . . 1.38 109.836 178.298 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 41.5 tp -64.37 -43.97 92.82 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.897 -0.592 . . . . 0.17 110.993 176.488 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 19.2 mm-40 -61.43 -44.98 96.18 Favored 'General case' 0 C--O 1.236 0.355 0 CA-C-O 121.049 0.452 . . . . 2.34 110.642 178.996 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 75.6 ttt180 -59.29 -44.6 92.48 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.748 -0.66 . . . . 2.47 110.339 175.632 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 39.9 t60 -59.6 -42.62 92.99 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.848 -0.614 . . . . 0.19 110.981 178.969 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 68.5 mttm -53.63 -28.94 35.6 Favored 'General case' 0 N--CA 1.465 0.307 0 CA-C-O 120.696 0.284 . . . . 1.43 111.446 -179.46 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 89.5 mtt180 -68.1 -9.37 45.81 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.283 -0.417 . . . . 2.9 112.058 -177.614 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 72.2 p -82.12 -25.5 34.36 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-O 121.038 0.447 . . . . 0.83 110.264 174.895 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 98.1 m-70 . . . . . 0 C--N 1.331 -0.2 0 N-CA-C 109.574 -0.528 . . . . 0.38 109.574 176.455 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 29.2 t . . . . . 0 N--CA 1.448 -0.571 0 CA-C-O 120.847 0.356 . . . . 0.19 110.041 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 3.2 m -88.29 49.55 1.82 Allowed 'General case' 0 C--N 1.321 -0.632 0 CA-C-O 121.541 0.686 . . . . 1.03 110.402 -178.662 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 7' ' ' TRP . . . . . . . . . . . . . 36.6 t-105 . . . . . 0 C--N 1.326 -0.426 0 N-CA-C 108.645 -0.872 . . . . 0.68 108.645 174.782 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.445 -0.726 0 N-CA-C 112.896 -0.082 . . . . 0.81 112.896 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 18.9 t -129.75 -81.77 0.56 Allowed 'General case' 0 C--N 1.324 -0.536 0 C-N-CA 121.008 -0.277 . . . . 0.45 110.369 177.642 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 65.95 39.19 94.79 Favored Glycine 0 N--CA 1.449 -0.446 0 C-N-CA 120.823 -0.703 . . . . 0.28 113.522 177.361 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 34.9 mmtp -83.35 140.91 32.15 Favored 'General case' 0 C--N 1.325 -0.472 0 N-CA-C 109.94 -0.393 . . . . 2.23 109.94 175.619 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 81.7 mtt180 -109.96 137.72 47.35 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-O 120.79 0.329 . . . . 3.21 111.048 -175.763 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 54.8 m-85 -134.11 153.38 51.86 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 115.912 -0.585 . . . . 0.25 109.968 -178.766 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 7.6 m -100.33 -8.34 23.48 Favored 'General case' 0 C--N 1.321 -0.631 0 CA-C-O 121.53 0.681 . . . . 1.16 109.956 176.636 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 16' ' ' ARG . . . . . 0.522 ' HB2' ' HB2' ' A' ' 19' ' ' GLU . 70.8 mtt180 -113.61 132.04 55.89 Favored 'General case' 0 C--N 1.322 -0.63 0 CA-C-N 115.627 -0.715 . . . . 4.11 109.914 -179.973 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 12.0 p -70.55 -33.87 71.61 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-O 121.239 0.542 . . . . 0.75 110.502 179.459 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 6.2 p-10 -73.89 -27.75 61.21 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 115.83 -0.623 . . . . 1.91 110.478 178.541 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . 0.522 ' HB2' ' HB2' ' A' ' 16' ' ' ARG . 7.2 tp10 -68.41 -42.83 78.42 Favored 'General case' 0 C--N 1.329 -0.321 0 N-CA-C 109.554 -0.536 . . . . 1.38 109.554 175.216 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 49.7 tp -60.99 -45.11 96.12 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.006 -0.543 . . . . 0.17 110.652 175.285 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 48.8 mt-30 -58.71 -48.88 79.6 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-O 120.953 0.406 . . . . 2.34 110.419 176.255 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 39.3 ttm180 -56.61 -41.5 77.16 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.443 -0.799 . . . . 2.47 110.291 177.432 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 63.6 t60 -65.78 -44.58 85.39 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 115.465 -0.789 . . . . 0.19 111.149 179.832 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 66.9 mttm -55.66 -27.19 48.58 Favored 'General case' 0 C--O 1.238 0.477 0 CA-C-O 120.794 0.33 . . . . 1.43 111.253 -179.359 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 52.4 mtp180 -62.32 -19.93 63.82 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.18 -0.464 . . . . 2.9 111.371 179.848 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 80.7 p -71.72 -47.67 52.35 Favored 'General case' 0 C--N 1.33 -0.276 0 C-N-CA 121.005 -0.278 . . . . 0.83 110.513 179.826 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 98.7 m-70 . . . . . 0 CA--C 1.518 -0.266 0 CA-C-O 121.257 0.551 . . . . 0.38 110.067 -179.12 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 42.9 t . . . . . 0 N--CA 1.45 -0.441 0 CA-C-O 121.127 0.489 . . . . 0.19 110.111 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 9.8 p -88.42 34.47 0.75 Allowed 'General case' 0 C--N 1.32 -0.692 0 CA-C-N 115.724 -0.671 . . . . 1.03 111.449 -178.281 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 7' ' ' TRP . . . . . . . . . . . . . 54.0 t-105 . . . . . 0 N--CA 1.452 -0.348 0 N-CA-C 109.247 -0.649 . . . . 0.68 109.247 174.882 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.447 -0.613 0 CA-C-O 120.177 -0.235 . . . . 0.81 113.354 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 19.1 t -108.37 -84.29 0.54 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 117.264 0.532 . . . . 0.45 111.005 178.819 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 73.43 35.32 56.31 Favored Glycine 0 CA--C 1.519 0.327 0 C-N-CA 120.474 -0.87 . . . . 0.28 112.944 179.909 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 15.5 tptp -84.37 125.02 31.92 Favored 'General case' 0 C--N 1.324 -0.505 0 N-CA-C 109.151 -0.685 . . . . 2.23 109.151 176.246 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 53.2 mtt180 -107.51 140.02 41.13 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-O 121.054 0.454 . . . . 3.21 111.856 -174.564 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 47.0 m-85 -134.81 171.67 14.06 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.542 -0.754 . . . . 0.25 109.914 -178.546 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 19.0 m -108.99 -11.58 14.95 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 121.359 0.599 . . . . 1.16 110.383 175.983 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 86.0 mtm180 -120.1 132.41 55.42 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-N 116.053 -0.521 . . . . 4.11 110.793 -176.26 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 13.5 p -66.43 -34.9 78.98 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.46 -0.791 . . . . 0.75 110.866 -177.965 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 31.4 t70 -68.35 -35.0 77.09 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 115.77 -0.65 . . . . 1.91 110.19 177.507 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 39.5 tt0 -68.64 -42.78 77.54 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 115.568 -0.742 . . . . 1.38 109.869 178.307 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . 0.464 ' O ' ' HG3' ' A' ' 24' ' ' LYS . 48.7 tp -60.63 -44.71 96.04 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 115.919 -0.582 . . . . 0.17 110.699 174.17 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 6.0 tp-100 -59.52 -51.12 71.22 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-O 121.009 0.433 . . . . 2.34 110.481 178.692 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 62.3 ttp180 -52.64 -51.05 61.85 Favored 'General case' 0 C--O 1.234 0.245 0 CA-C-N 115.522 -0.763 . . . . 2.47 109.939 177.198 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 27.5 t60 -55.32 -48.06 74.73 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.286 -0.87 . . . . 0.19 111.047 178.195 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 24' ' ' LYS . . . . . 0.464 ' HG3' ' O ' ' A' ' 20' ' ' LEU . 52.9 mtmt -60.78 -25.2 66.35 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.652 0.263 . . . . 1.43 111.407 -176.675 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 91.8 mtt180 -73.56 3.28 6.42 Favored 'General case' 0 N--CA 1.45 -0.473 0 C-N-CA 120.958 -0.297 . . . . 2.9 111.511 179.643 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 70.7 p -90.51 -24.42 20.65 Favored 'General case' 0 N--CA 1.454 -0.272 0 N-CA-C 109.822 -0.436 . . . . 0.83 109.822 170.022 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 97.7 m-70 . . . . . 0 CA--C 1.52 -0.18 0 N-CA-C 109.263 -0.643 . . . . 0.38 109.263 175.815 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 36.8 t . . . . . 0 N--CA 1.452 -0.369 0 CA-C-O 120.875 0.369 . . . . 0.19 110.45 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 12.6 p -88.99 33.14 0.79 Allowed 'General case' 0 C--N 1.322 -0.628 0 CA-C-N 116.162 -0.472 . . . . 1.03 111.76 -177.471 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 7' ' ' TRP . . . . . . . . . . . . . 40.7 t-105 . . . . . 0 C--N 1.329 -0.305 0 N-CA-C 109.306 -0.627 . . . . 0.68 109.306 175.476 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.366 0 N-CA-C 113.555 0.182 . . . . 0.81 113.555 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 10.0 t -109.34 -79.97 0.58 Allowed 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 117.202 0.501 . . . . 0.45 110.245 178.344 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 66.55 29.66 75.16 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.692 -0.766 . . . . 0.28 113.191 177.038 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 12' ' ' LYS . . . . . 0.408 ' HD3' ' CE1' ' A' ' 23' ' ' HIS . 62.7 tttp -80.24 129.79 34.75 Favored 'General case' 0 C--N 1.327 -0.381 0 N-CA-C 109.449 -0.575 . . . . 2.23 109.449 176.5 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 76.1 mtm180 -104.65 144.14 32.13 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-N 116.094 -0.503 . . . . 3.21 111.583 -173.671 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 65.1 m-85 -133.59 160.26 38.01 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.572 -0.74 . . . . 0.25 110.346 -177.9 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 1.1 p -106.25 -7.03 18.01 Favored 'General case' 0 C--N 1.321 -0.669 0 CA-C-O 121.461 0.648 . . . . 1.16 110.154 172.624 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 19.0 mmm180 -122.08 129.18 52.16 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 115.311 -0.859 . . . . 4.11 110.929 179.562 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 9.2 p -67.29 -32.68 73.83 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.327 -0.851 . . . . 0.75 110.834 -179.445 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 7.1 p-10 -67.17 -36.04 80.95 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.101 -0.499 . . . . 1.91 110.18 177.767 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 19.4 mm-40 -63.11 -47.3 83.39 Favored 'General case' 0 CA--C 1.518 -0.281 0 CA-C-N 115.961 -0.563 . . . . 1.38 110.245 174.36 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 56.0 tp -59.39 -45.4 91.58 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.2 -0.455 . . . . 0.17 111.194 178.087 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 21' ' ' GLN . . . . . 0.412 ' O ' ' HG3' ' A' ' 25' ' ' ARG . 78.3 mt-30 -62.44 -50.83 69.91 Favored 'General case' 0 C--O 1.239 0.507 0 CA-C-O 120.814 0.34 . . . . 2.34 111.142 -179.682 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 13.4 ttp180 -58.78 -41.77 87.44 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.211 -0.45 . . . . 2.47 109.883 177.944 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 23' ' ' HIS . . . . . 0.408 ' CE1' ' HD3' ' A' ' 12' ' ' LYS . 35.2 t60 -59.1 -46.29 88.68 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 115.545 -0.752 . . . . 0.19 110.67 177.881 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 55.6 mttm -57.11 -28.22 62.48 Favored 'General case' 0 C--O 1.237 0.447 0 CA-C-O 120.945 0.402 . . . . 1.43 111.019 179.481 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 25' ' ' ARG . . . . . 0.412 ' HG3' ' O ' ' A' ' 21' ' ' GLN . 89.1 mtt180 -65.61 -15.82 63.11 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.09 -0.504 . . . . 2.9 111.282 179.556 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 43.7 p -85.61 -10.27 56.07 Favored 'General case' 0 C--N 1.333 -0.142 0 CA-C-O 120.809 0.338 . . . . 0.83 111.024 178.606 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 97.1 m-70 . . . . . 0 C--N 1.33 -0.263 0 CA-C-O 121.327 0.585 . . . . 0.38 109.583 173.41 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 48.8 t . . . . . 0 N--CA 1.448 -0.564 0 CA-C-O 120.985 0.421 . . . . 0.19 110.097 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 15.0 p -84.31 39.42 0.72 Allowed 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 115.529 -0.76 . . . . 1.03 111.279 -179.406 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 7' ' ' TRP . . . . . . . . . . . . . 5.1 t-105 . . . . . 0 C--N 1.327 -0.397 0 CA-C-N 116.209 -0.45 . . . . 0.68 110.552 -177.597 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.414 0 N-CA-C 113.242 0.057 . . . . 0.81 113.242 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 10' ' ' CYS . . . . . 0.697 ' SG ' ' HD3' ' A' ' 12' ' ' LYS . 34.3 t -79.82 -58.71 3.04 Favored 'General case' 0 C--N 1.321 -0.634 0 N-CA-C 109.603 -0.517 . . . . 0.45 109.603 176.76 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 79.8 4.21 89.39 Favored Glycine 0 N--CA 1.451 -0.362 0 N-CA-C 114.873 0.709 . . . . 0.28 114.873 167.645 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 12' ' ' LYS . . . . . 0.697 ' HD3' ' SG ' ' A' ' 10' ' ' CYS . 13.8 mptt -71.25 125.37 26.77 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 117.698 0.749 . . . . 2.23 110.178 179.474 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 35.1 mtp85 -102.99 143.76 32.14 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-O 121.093 0.473 . . . . 3.21 111.182 -177.432 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 59.8 m-85 -137.73 153.64 49.72 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-N 115.658 -0.701 . . . . 0.25 109.682 -179.803 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 11.5 p -102.44 5.71 39.75 Favored 'General case' 0 C--N 1.319 -0.741 0 CA-C-O 120.99 0.424 . . . . 1.16 110.914 177.988 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 16' ' ' ARG . . . . . 0.406 ' HB2' ' HB2' ' A' ' 19' ' ' GLU . 46.8 mtp180 -136.12 134.06 37.92 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 115.883 -0.599 . . . . 4.11 110.162 -179.857 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 22.5 p -67.09 -33.76 76.18 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.886 -0.597 . . . . 0.75 110.606 -178.966 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 19.1 t70 -65.71 -35.82 81.84 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.715 -0.675 . . . . 1.91 110.202 176.38 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . 0.491 ' OE2' ' HD3' ' A' ' 22' ' ' ARG . 8.3 tp10 -68.64 -41.13 79.84 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 115.47 -0.786 . . . . 1.38 109.574 179.081 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . 0.441 ' O ' ' HG2' ' A' ' 24' ' ' LYS . 60.3 tp -61.89 -48.78 78.96 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.737 -0.665 . . . . 0.17 110.781 175.706 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 21' ' ' GLN . . . . . 0.511 ' O ' ' HG3' ' A' ' 25' ' ' ARG . 15.3 mm100 -59.93 -46.63 88.77 Favored 'General case' 0 C--O 1.236 0.348 0 CA-C-O 120.958 0.408 . . . . 2.34 110.738 178.644 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 22' ' ' ARG . . . . . 0.491 ' HD3' ' OE2' ' A' ' 19' ' ' GLU . 74.8 ttt180 -51.02 -53.0 37.31 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.425 -0.807 . . . . 2.47 109.89 175.309 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 41.3 t60 -57.86 -45.51 86.18 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 115.389 -0.823 . . . . 0.19 110.872 178.308 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 24' ' ' LYS . . . . . 0.441 ' HG2' ' O ' ' A' ' 20' ' ' LEU . 71.2 mmtt -55.24 -29.54 58.25 Favored 'General case' 0 C--O 1.237 0.432 0 CA-C-O 120.685 0.279 . . . . 1.43 111.177 -178.885 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 25' ' ' ARG . . . . . 0.511 ' HG3' ' O ' ' A' ' 21' ' ' GLN . 74.9 mtp180 -64.71 -13.39 54.38 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.3 -0.409 . . . . 2.9 111.691 -178.286 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 80.3 p -78.8 -33.07 46.51 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.847 0.356 . . . . 0.83 110.166 175.175 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 96.7 m-70 . . . . . 0 CA--C 1.517 -0.296 0 CA-C-O 121.362 0.601 . . . . 0.38 109.483 177.605 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 42.8 t . . . . . 0 N--CA 1.447 -0.583 0 CA-C-O 120.891 0.377 . . . . 0.19 110.133 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 8.3 p -87.23 39.39 0.86 Allowed 'General case' 0 C--N 1.32 -0.677 0 CA-C-N 116.115 -0.493 . . . . 1.03 111.237 -179.105 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 7' ' ' TRP . . . . . . . . . . . . . 39.9 t-105 . . . . . 0 N--CA 1.45 -0.452 0 N-CA-C 108.881 -0.785 . . . . 0.68 108.881 174.744 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.446 -0.665 0 CA-C-O 120.375 -0.125 . . . . 0.81 112.884 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 37.9 t -116.22 -83.04 0.63 Allowed 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 117.215 0.508 . . . . 0.45 111.042 177.516 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 70.34 40.82 69.2 Favored Glycine 0 C--N 1.331 0.254 0 C-N-CA 120.699 -0.762 . . . . 0.28 112.737 -179.904 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 14.4 tptp -90.12 126.83 35.93 Favored 'General case' 0 C--N 1.324 -0.526 0 N-CA-C 109.24 -0.652 . . . . 2.23 109.24 176.856 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 34.3 ttt180 -110.41 136.87 48.9 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-O 121.001 0.429 . . . . 3.21 111.291 -173.347 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 59.1 m-85 -133.12 168.08 19.16 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.81 -0.632 . . . . 0.25 110.127 -177.234 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 3.4 p -115.48 0.37 13.34 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-O 121.074 0.464 . . . . 1.16 111.278 177.41 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 23.5 mmm180 -130.18 137.98 50.37 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.994 -0.548 . . . . 4.11 111.026 -179.877 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 5.9 p -66.32 -40.55 90.01 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.263 -0.881 . . . . 0.75 110.915 -178.684 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 31.9 m-20 -61.39 -33.86 74.38 Favored 'General case' 0 CA--C 1.518 -0.287 0 CA-C-N 115.973 -0.558 . . . . 1.91 110.07 178.349 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 5.4 tp10 -68.76 -48.78 62.87 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 115.214 -0.903 . . . . 1.38 109.66 -179.868 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 56.9 tp -59.97 -42.86 95.05 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 115.851 -0.613 . . . . 0.17 110.891 177.81 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 79.5 mm-40 -60.49 -50.04 75.14 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.734 0.302 . . . . 2.34 111.107 179.329 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 79.5 ttt180 -57.87 -45.24 86.63 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.148 -0.478 . . . . 2.47 109.801 178.21 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 43.1 t60 -60.35 -44.66 95.34 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.578 -0.737 . . . . 0.19 110.961 178.949 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 69.6 mmtt -54.96 -30.09 58.16 Favored 'General case' 0 C--O 1.236 0.386 0 CA-C-O 120.893 0.378 . . . . 1.43 111.025 -179.448 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 85.2 mtt180 -79.68 13.0 2.26 Favored 'General case' 0 N--CA 1.449 -0.51 0 CA-C-N 115.979 -0.555 . . . . 2.9 111.953 -177.71 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 61.9 p -93.11 -33.36 14.09 Favored 'General case' 0 C--N 1.33 -0.267 0 N-CA-C 109.179 -0.675 . . . . 0.83 109.179 166.732 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 96.5 m-70 . . . . . 0 C--N 1.331 -0.196 0 N-CA-C 108.989 -0.745 . . . . 0.38 108.989 175.658 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 42.8 t . . . . . 0 N--CA 1.447 -0.617 0 CA-C-O 121.075 0.464 . . . . 0.19 110.28 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 3.3 m -84.17 30.65 0.52 Allowed 'General case' 0 C--N 1.322 -0.592 0 CA-C-N 115.63 -0.714 . . . . 1.03 110.963 -177.804 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 7' ' ' TRP . . . . . . . . . . . . . 32.2 t-105 . . . . . 0 N--CA 1.45 -0.47 0 N-CA-C 108.89 -0.782 . . . . 0.68 108.89 175.714 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.431 0 N-CA-C 113.451 0.14 . . . . 0.81 113.451 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 19.9 t -99.4 -81.2 0.46 Allowed 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 117.185 0.493 . . . . 0.45 110.829 -178.961 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 67.97 37.59 87.94 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.339 -0.934 . . . . 0.28 112.753 178.439 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 50.7 tptt -83.26 131.61 35.08 Favored 'General case' 0 C--N 1.324 -0.504 0 N-CA-C 109.093 -0.706 . . . . 2.23 109.093 175.422 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 87.9 mtm180 -108.72 146.11 34.03 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-O 121.216 0.531 . . . . 3.21 112.034 -173.044 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 64.9 m-85 -142.03 167.78 21.3 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.262 -0.881 . . . . 0.25 109.919 -178.685 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 7.4 m -120.84 -2.71 9.76 Favored 'General case' 0 C--N 1.32 -0.704 0 CA-C-O 121.533 0.682 . . . . 1.16 109.841 174.945 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 30.7 mmt180 -121.94 132.89 54.79 Favored 'General case' 0 C--O 1.237 0.433 0 CA-C-N 115.708 -0.678 . . . . 4.11 110.605 179.04 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 6.7 p -69.41 -38.55 77.98 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.246 -0.888 . . . . 0.75 111.833 -174.143 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 14.0 m-20 -69.44 -28.21 65.92 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.306 -0.406 . . . . 1.91 110.195 178.11 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 8.5 tp10 -70.95 -46.33 62.59 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.673 -0.694 . . . . 1.38 109.515 178.172 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 47.5 tp -59.34 -40.93 87.97 Favored 'General case' 0 C--O 1.223 -0.339 0 CA-C-N 116.091 -0.504 . . . . 0.17 110.363 173.51 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 33.6 tt0 -58.64 -49.95 75.62 Favored 'General case' 0 C--O 1.239 0.505 0 CA-C-N 116.224 -0.444 . . . . 2.34 110.95 177.788 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 22' ' ' ARG . . . . . 0.419 HH11 ' HD2' ' A' ' 22' ' ' ARG . 38.9 ttm180 -54.7 -49.51 70.53 Favored 'General case' 0 CA--C 1.519 -0.246 0 CA-C-N 115.83 -0.623 . . . . 2.47 109.908 176.032 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 45.3 t60 -57.62 -40.84 80.06 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 115.307 -0.861 . . . . 0.19 111.062 179.432 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 70.9 mmtt -60.79 -32.91 72.24 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-O 120.85 0.357 . . . . 1.43 110.475 177.717 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 98.8 mtt180 -69.93 -10.33 58.16 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.185 -0.461 . . . . 2.9 110.605 178.143 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 11.9 m -82.7 -20.84 35.33 Favored 'General case' 0 CA--C 1.535 0.386 0 CA-C-N 116.09 -0.505 . . . . 0.83 110.335 175.665 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 97.6 m-70 . . . . . 0 CA--C 1.522 -0.122 0 N-CA-C 109.202 -0.666 . . . . 0.38 109.202 172.608 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 26.7 t . . . . . 0 N--CA 1.447 -0.609 0 CA-C-O 120.753 0.311 . . . . 0.19 110.239 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 21.0 p -84.38 35.52 0.55 Allowed 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 116.393 -0.367 . . . . 1.03 111.713 -178.386 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 7' ' ' TRP . . . . . . . . . . . . . 47.1 t-105 . . . . . 0 N--CA 1.449 -0.492 0 N-CA-C 108.636 -0.876 . . . . 0.68 108.636 174.669 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.446 -0.646 0 N-CA-C 113.001 -0.04 . . . . 0.81 113.001 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 46.0 t -105.78 -80.62 0.55 Allowed 'General case' 0 C--N 1.324 -0.54 0 O-C-N 122.765 -0.256 . . . . 0.45 110.726 -179.602 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 66.79 36.18 90.78 Favored Glycine 0 CA--C 1.519 0.303 0 C-N-CA 120.753 -0.737 . . . . 0.28 113.054 178.863 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 22.6 tptm -85.13 123.87 31.15 Favored 'General case' 0 C--N 1.323 -0.55 0 N-CA-C 110.12 -0.326 . . . . 2.23 110.12 179.615 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 73.3 mtm180 -97.82 141.1 31.22 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-O 120.829 0.347 . . . . 3.21 111.689 -175.297 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 71.2 m-85 -133.33 158.93 41.74 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.003 -0.544 . . . . 0.25 110.332 177.527 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 11.1 m -104.98 -7.17 19.44 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-O 121.576 0.703 . . . . 1.16 110.107 177.952 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 21.1 mmt180 -122.35 131.04 53.7 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.663 -0.699 . . . . 4.11 110.16 178.844 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 6.9 m -65.57 -38.23 88.96 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 115.968 -0.56 . . . . 0.75 111.36 -177.151 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 4.7 p-10 -69.31 -27.85 65.74 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.391 -0.368 . . . . 1.91 110.44 179.238 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . 0.416 ' OE2' ' HD3' ' A' ' 22' ' ' ARG . 9.5 tp10 -69.31 -42.04 75.92 Favored 'General case' 0 C--N 1.323 -0.556 0 N-CA-C 109.387 -0.597 . . . . 1.38 109.387 175.392 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 54.0 tp -62.84 -45.71 91.31 Favored 'General case' 0 C--N 1.332 -0.17 0 CA-C-N 115.844 -0.616 . . . . 0.17 110.76 175.471 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 98.3 mt-30 -60.4 -46.11 91.15 Favored 'General case' 0 C--O 1.237 0.419 0 CA-C-O 121.102 0.477 . . . . 2.34 110.542 177.747 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 22' ' ' ARG . . . . . 0.416 ' HD3' ' OE2' ' A' ' 19' ' ' GLU . 57.0 ttt180 -54.01 -46.23 71.72 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.291 -0.868 . . . . 2.47 110.174 174.666 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 50.8 t60 -63.65 -44.94 92.35 Favored 'General case' 0 C--N 1.321 -0.64 0 CA-C-N 115.272 -0.877 . . . . 0.19 111.278 179.994 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 70.9 mmtt -54.54 -27.3 37.51 Favored 'General case' 0 C--O 1.236 0.387 0 CA-C-N 116.441 -0.345 . . . . 1.43 111.515 -178.14 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 82.8 mtp180 -61.44 -16.72 49.59 Favored 'General case' 0 CA--C 1.53 0.204 0 CA-C-N 116.233 -0.44 . . . . 2.9 111.644 -179.385 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 67.7 p -78.64 -32.22 47.21 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 120.734 0.302 . . . . 0.83 111.297 179.519 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 97.3 m-70 . . . . . 0 C--N 1.331 -0.222 0 CA-C-O 121.015 0.436 . . . . 0.38 110.677 -178.19 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 62.2 ttt180 . . . . . 0 N--CA 1.48 1.034 0 CA-C-O 120.477 0.179 . . . . 4.31 110.559 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 85.5 Cg_endo -83.35 146.63 12.44 Favored 'Trans proline' 0 N--CA 1.456 -0.708 0 C-N-CA 122.307 2.004 . . . . 1.0 111.617 175.891 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' PHE . . . . . 0.425 ' CZ ' ' HB3' ' A' ' 17' ' ' SER . 96.9 m-85 -103.9 129.76 51.45 Favored 'General case' 0 C--N 1.318 -0.782 0 N-CA-C 110.059 -0.349 . . . . 0.73 110.059 -179.528 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' NLE . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 42.3 t -80.61 103.93 10.79 Favored 'General case' 0 C--N 1.317 -0.834 0 CA-C-N 115.507 -0.77 . . . . 0.19 110.523 176.363 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 19.9 p -90.55 38.63 0.95 Allowed 'General case' 0 C--N 1.323 -0.58 0 CA-C-N 115.979 -0.555 . . . . 1.03 111.329 -179.322 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' TRP . . . . . . . . . . . . . 54.0 t-105 -74.42 158.94 33.0 Favored 'General case' 0 N--CA 1.452 -0.352 0 N-CA-C 109.271 -0.64 . . . . 0.68 109.271 174.738 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' AIB . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.541 0.632 0 O-C-N 124.041 0.838 . . . . 0.78 110.715 179.03 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 66.53 45.38 85.59 Favored Glycine 0 N--CA 1.449 -0.474 0 CA-C-N 116.356 -0.384 . . . . 0.81 113.516 174.935 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 31.9 t -113.11 -73.52 0.66 Allowed 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 117.078 0.439 . . . . 0.45 110.425 177.107 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 65.15 36.27 92.72 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.898 -0.668 . . . . 0.28 113.601 175.414 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 57.5 tttp -90.46 135.05 33.94 Favored 'General case' 0 C--N 1.325 -0.493 0 N-CA-C 109.51 -0.552 . . . . 2.23 109.51 175.65 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 30.1 mtm180 -110.17 146.11 36.09 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-O 121.104 0.478 . . . . 3.21 112.112 -172.497 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 54.3 m-85 -137.71 155.43 49.1 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.233 -0.894 . . . . 0.25 109.726 -179.436 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 10.2 m -98.57 -11.3 22.3 Favored 'General case' 0 C--N 1.321 -0.654 0 CA-C-O 121.508 0.671 . . . . 1.16 109.927 176.558 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . 0.402 ' HB3' ' OD1' ' A' ' 18' ' ' ASP . 19.5 mmm180 -116.13 133.86 55.57 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 115.519 -0.764 . . . . 4.11 110.915 178.765 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . 0.425 ' HB3' ' CZ ' ' A' ' 3' ' ' PHE . 19.6 p -67.08 -36.52 82.18 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.49 -0.777 . . . . 0.75 110.71 -179.801 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' ASP . . . . . 0.402 ' OD1' ' HB3' ' A' ' 16' ' ' ARG . 6.9 p-10 -64.39 -35.12 79.85 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.681 -0.69 . . . . 1.91 110.223 177.422 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 41.9 mm-40 -63.33 -46.61 85.85 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.924 -0.58 . . . . 1.38 110.647 174.857 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . 0.404 HD22 ' HB3' ' A' ' 3' ' ' PHE . 56.8 tp -60.57 -47.75 84.83 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.15 -0.477 . . . . 0.17 111.226 178.821 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' GLN . . . . . 0.489 ' O ' ' HG3' ' A' ' 25' ' ' ARG . 64.8 mm-40 -63.83 -46.64 84.13 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.879 0.371 . . . . 2.34 110.473 -179.068 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 51.5 ttt180 -52.36 -50.69 61.86 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 115.644 -0.707 . . . . 2.47 110.153 175.266 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 31.3 t60 -58.13 -46.6 85.34 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 115.166 -0.925 . . . . 0.19 111.014 178.638 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 30.3 mmtp -56.14 -28.42 57.92 Favored 'General case' 0 C--O 1.238 0.474 0 CA-C-O 120.827 0.346 . . . . 1.43 111.726 -178.697 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . 0.489 ' HG3' ' O ' ' A' ' 21' ' ' GLN . 66.0 mtp180 -64.2 -18.56 64.62 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.205 -0.452 . . . . 2.9 111.411 -178.36 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 59.2 p -79.34 -22.79 44.0 Favored 'General case' 0 C--N 1.33 -0.26 0 C-N-CA 120.939 -0.304 . . . . 0.83 110.672 178.557 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 92.6 m-70 -81.91 -44.49 16.72 Favored 'General case' 0 CA--C 1.517 -0.319 0 CA-C-O 120.949 0.404 . . . . 0.38 110.103 177.717 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 4.9 p -68.22 -31.63 71.26 Favored 'General case' 0 N--CA 1.45 -0.459 0 CA-C-N 115.772 -0.649 . . . . 1.78 111.273 -178.901 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 105.27 27.72 5.76 Favored Glycine 0 N--CA 1.446 -0.688 0 C-N-CA 120.648 -0.787 . . . . 3.94 112.511 176.069 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . 0.479 ' HB2' ' HB3' ' A' ' 25' ' ' ARG . 41.3 mt-10 -88.4 72.76 8.87 Favored 'General case' 0 C--N 1.321 -0.66 0 CA-C-O 120.875 0.369 . . . . 7.52 110.837 -179.182 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 24.2 pttm -124.48 64.49 1.09 Allowed 'General case' 0 C--N 1.324 -0.533 0 CA-C-O 122.002 0.906 . . . . 8.93 110.308 175.541 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 32' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.32 -0.699 0 CA-C-N 115.576 -0.738 . . . . 6.25 . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 93.1 mtt180 . . . . . 0 N--CA 1.481 1.105 0 N-CA-C 110.52 -0.178 . . . . 4.31 110.52 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 56.2 Cg_endo -71.85 139.56 33.61 Favored 'Trans proline' 0 N--CA 1.46 -0.485 0 C-N-CA 122.013 1.808 . . . . 1.0 110.79 172.938 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 3' ' ' PHE . . . . . 0.419 ' CE1' ' HB3' ' A' ' 17' ' ' SER . 94.4 m-85 -96.71 128.68 43.89 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-O 120.91 0.386 . . . . 0.73 110.473 -176.08 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 4' ' ' NLE . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 41.1 t -68.39 106.82 2.63 Favored 'General case' 0 C--N 1.318 -0.801 0 CA-C-N 115.646 -0.706 . . . . 0.19 109.8 175.457 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 2.3 m -86.6 18.45 3.34 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-O 121.285 0.564 . . . . 1.03 110.921 -173.854 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 7' ' ' TRP . . . . . . . . . . . . . 33.3 t-105 -65.71 136.38 56.19 Favored 'General case' 0 N--CA 1.452 -0.36 0 N-CA-C 109.401 -0.592 . . . . 0.68 109.401 176.755 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 8' ' ' AIB . . . . . . . . . . . . . . . . . . . . 0 C--N 1.323 -0.553 0 O-C-N 123.882 0.738 . . . . 0.78 110.449 -176.892 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 88.27 6.52 74.45 Favored Glycine 0 N--CA 1.449 -0.478 0 C-N-CA 121.138 -0.553 . . . . 0.81 113.515 174.601 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 11.9 t -103.33 -82.52 0.49 Allowed 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 117.303 0.551 . . . . 0.45 110.811 -179.207 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 71.65 29.0 68.23 Favored Glycine 0 CA--C 1.519 0.297 0 C-N-CA 120.529 -0.843 . . . . 0.28 113.161 179.94 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 14.0 tptp -72.13 125.5 27.45 Favored 'General case' 0 C--N 1.326 -0.456 0 N-CA-C 109.479 -0.563 . . . . 2.23 109.479 177.13 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . 0.419 HH11 ' HD3' ' A' ' 13' ' ' ARG . 14.2 ttm180 -107.11 140.4 40.01 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-O 120.854 0.359 . . . . 3.21 111.479 -173.973 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 63.6 m-85 -136.2 157.73 46.11 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.854 -0.612 . . . . 0.25 110.605 -177.684 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 18.4 m -93.84 -17.49 23.01 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 116.029 -0.532 . . . . 1.16 110.826 178.364 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 29.1 mtm-85 -123.18 145.5 48.57 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 121.132 0.492 . . . . 4.11 110.645 -179.741 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . 0.419 ' HB3' ' CE1' ' A' ' 3' ' ' PHE . 11.1 p -72.26 -32.17 66.43 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.34 -0.845 . . . . 0.75 111.111 -178.07 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 4.8 p-10 -70.55 -29.25 65.66 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.94 0.4 . . . . 1.91 110.36 179.538 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . 0.504 ' OE2' ' HD3' ' A' ' 22' ' ' ARG . 8.4 tp10 -72.28 -42.39 65.6 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.845 -0.616 . . . . 1.38 109.412 177.596 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 46.7 tp -61.69 -44.32 97.17 Favored 'General case' 0 C--N 1.332 -0.173 0 CA-C-N 115.791 -0.64 . . . . 0.17 110.531 174.271 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 54.4 tp60 -58.98 -47.27 85.76 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.232 -0.44 . . . . 2.34 110.432 177.895 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 22' ' ' ARG . . . . . 0.504 ' HD3' ' OE2' ' A' ' 19' ' ' GLU . 36.2 ttt180 -55.84 -45.95 78.3 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 115.805 -0.634 . . . . 2.47 110.277 176.036 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 47.2 t60 -60.88 -46.28 91.24 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 115.567 -0.742 . . . . 0.19 111.456 179.914 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 64.3 mttm -56.68 -24.96 52.59 Favored 'General case' 0 N--CA 1.466 0.349 0 N-CA-C 111.986 0.365 . . . . 1.43 111.986 -176.337 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 80.9 mtt180 -60.84 -21.05 62.82 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.263 -0.426 . . . . 2.9 111.299 179.573 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 73.7 p -79.61 -20.88 45.77 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 120.767 0.318 . . . . 0.83 111.204 -178.722 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 98.3 m-70 -88.36 -40.58 13.45 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 121.008 0.433 . . . . 0.38 109.902 176.508 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 30.0 p -74.22 -28.11 61.1 Favored 'General case' 0 N--CA 1.452 -0.339 0 CA-C-N 115.919 -0.582 . . . . 1.78 111.183 -178.452 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -99.22 122.75 7.67 Favored Glycine 0 N--CA 1.446 -0.686 0 N-CA-C 111.267 -0.733 . . . . 3.94 111.267 176.598 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 42.3 tt0 -76.86 -43.18 37.08 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-O 120.734 0.302 . . . . 7.52 110.191 -177.529 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 6.2 ptpp? -110.14 68.34 0.67 Allowed 'General case' 0 C--N 1.326 -0.45 0 CA-C-O 121.651 0.738 . . . . 8.93 110.408 176.585 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 32' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.322 -0.595 0 CA-C-N 116.089 -0.505 . . . . 6.25 . . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 10.6 ptp180 . . . . . 0 N--CA 1.479 1.017 0 N-CA-C 109.936 -0.394 . . . . 4.31 109.936 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 8.2 Cg_exo -72.1 134.1 22.58 Favored 'Trans proline' 0 N--CA 1.46 -0.449 0 C-N-CA 122.056 1.837 . . . . 1.0 111.03 173.964 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 91.5 m-85 -87.88 90.75 8.5 Favored 'General case' 0 C--N 1.32 -0.717 0 CA-C-O 121.316 0.579 . . . . 0.73 109.75 -177.476 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 4' ' ' NLE . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 32.2 t -70.14 106.24 3.21 Favored 'General case' 0 C--N 1.321 -0.668 0 CA-C-N 115.713 -0.676 . . . . 0.19 109.781 173.567 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 3.2 m -89.19 34.97 0.79 Allowed 'General case' 0 C--N 1.319 -0.741 0 CA-C-O 121.418 0.627 . . . . 1.03 110.718 -176.756 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 7' ' ' TRP . . . . . . . . . . . . . 36.2 t-105 -74.77 151.34 39.14 Favored 'General case' 0 N--CA 1.451 -0.425 0 N-CA-C 109.106 -0.701 . . . . 0.68 109.106 175.276 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 8' ' ' AIB . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.541 0.627 0 O-C-N 123.864 0.727 . . . . 0.78 110.584 -177.35 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 75.72 13.49 82.98 Favored Glycine 0 N--CA 1.45 -0.411 0 C-N-CA 121.283 -0.484 . . . . 0.81 113.766 174.761 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 11.3 t -95.57 -73.67 0.58 Allowed 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 117.608 0.704 . . . . 0.45 110.52 -179.338 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 61.3 35.6 91.19 Favored Glycine 0 C--N 1.33 0.239 0 C-N-CA 120.78 -0.724 . . . . 0.28 112.837 178.044 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 20.7 tptp -83.93 119.52 24.98 Favored 'General case' 0 C--N 1.322 -0.594 0 N-CA-C 109.207 -0.664 . . . . 2.23 109.207 178.632 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 87.6 mtm180 -100.26 141.21 33.41 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-O 121.057 0.456 . . . . 3.21 111.744 -175.422 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 53.1 m-85 -132.85 155.41 49.05 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 115.58 -0.736 . . . . 0.25 110.154 179.641 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 15.1 t -106.33 11.43 31.0 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-O 121.032 0.444 . . . . 1.16 110.363 177.77 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . 0.465 ' HB2' ' HB2' ' A' ' 19' ' ' GLU . 65.8 mtm180 -134.81 134.24 40.65 Favored 'General case' 0 C--O 1.234 0.281 0 CA-C-N 115.975 -0.557 . . . . 4.11 109.801 177.722 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 2.1 m -64.86 -42.06 95.17 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.726 -0.67 . . . . 0.75 111.182 -176.324 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 7.9 p-10 -70.15 -28.84 65.66 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.87 -0.604 . . . . 1.91 110.518 -179.399 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . 0.465 ' HB2' ' HB2' ' A' ' 16' ' ' ARG . 7.7 tp10 -65.31 -43.5 90.84 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 115.913 -0.585 . . . . 1.38 109.836 178.298 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 41.5 tp -64.37 -43.97 92.82 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.897 -0.592 . . . . 0.17 110.993 176.488 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 19.2 mm-40 -61.43 -44.98 96.18 Favored 'General case' 0 C--O 1.236 0.355 0 CA-C-O 121.049 0.452 . . . . 2.34 110.642 178.996 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 75.6 ttt180 -59.29 -44.6 92.48 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.748 -0.66 . . . . 2.47 110.339 175.632 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 39.9 t60 -59.6 -42.62 92.99 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.848 -0.614 . . . . 0.19 110.981 178.969 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 68.5 mttm -53.63 -28.94 35.6 Favored 'General case' 0 N--CA 1.465 0.307 0 CA-C-O 120.696 0.284 . . . . 1.43 111.446 -179.46 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . 0.507 ' HA ' ' CA ' ' A' ' 29' ' ' GLY . 89.5 mtt180 -68.1 -9.37 45.81 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.283 -0.417 . . . . 2.9 112.058 -177.614 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 72.2 p -82.12 -25.5 34.36 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-O 121.038 0.447 . . . . 0.83 110.264 174.895 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 98.1 m-70 -88.77 -48.86 7.21 Favored 'General case' 0 C--N 1.331 -0.2 0 N-CA-C 109.574 -0.528 . . . . 0.38 109.574 176.455 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 11.9 t -165.64 -35.5 0.03 OUTLIER 'General case' 0 CA--C 1.533 0.315 0 CA-C-N 115.979 -0.555 . . . . 1.78 110.744 -179.082 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . 0.507 ' CA ' ' HA ' ' A' ' 25' ' ' ARG . . . 106.04 -151.37 17.03 Favored Glycine 0 N--CA 1.45 -0.42 0 C-N-CA 120.74 -0.743 . . . . 3.94 113.009 176.095 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 36.7 tt0 -73.32 -38.54 65.78 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-O 121.288 0.566 . . . . 7.52 110.145 -179.049 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 46.6 mmtm -80.35 -73.42 0.36 Allowed 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 115.682 -0.69 . . . . 8.93 110.034 -179.282 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 32' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.322 -0.6 0 CA-C-N 116.357 -0.383 . . . . 6.25 . . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 80.8 mtp180 . . . . . 0 N--CA 1.479 1.013 0 N-CA-C 110.531 -0.174 . . . . 4.31 110.531 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 4.4 Cg_exo -75.38 117.08 4.7 Favored 'Trans proline' 0 N--CA 1.458 -0.584 0 C-N-CA 122.371 2.047 . . . . 1.0 111.122 172.939 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 3' ' ' PHE . . . . . 0.534 ' CZ ' ' HB3' ' A' ' 17' ' ' SER . 97.5 m-85 -94.61 140.89 29.27 Favored 'General case' 0 C--N 1.318 -0.795 0 CA-C-N 116.349 -0.387 . . . . 0.73 110.066 -179.539 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 4' ' ' NLE . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 29.2 t -74.67 101.87 4.42 Favored 'General case' 0 C--N 1.318 -0.764 0 CA-C-N 115.963 -0.562 . . . . 0.19 110.041 175.038 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 3.2 m -88.29 49.55 1.82 Allowed 'General case' 0 C--N 1.321 -0.632 0 CA-C-O 121.541 0.686 . . . . 1.03 110.402 -178.662 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 7' ' ' TRP . . . . . . . . . . . . . 36.6 t-105 -87.21 147.56 25.53 Favored 'General case' 0 C--N 1.326 -0.426 0 N-CA-C 108.645 -0.872 . . . . 0.68 108.645 174.782 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 8' ' ' AIB . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.539 0.555 0 O-C-N 123.833 0.708 . . . . 0.78 110.471 -178.793 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 89.34 39.11 6.46 Favored Glycine 0 N--CA 1.445 -0.726 0 C-N-CA 121.006 -0.616 . . . . 0.81 112.896 175.859 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 18.9 t -129.75 -81.77 0.56 Allowed 'General case' 0 C--N 1.324 -0.536 0 C-N-CA 121.008 -0.277 . . . . 0.45 110.369 177.642 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 65.95 39.19 94.79 Favored Glycine 0 N--CA 1.449 -0.446 0 C-N-CA 120.823 -0.703 . . . . 0.28 113.522 177.361 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 34.9 mmtp -83.35 140.91 32.15 Favored 'General case' 0 C--N 1.325 -0.472 0 N-CA-C 109.94 -0.393 . . . . 2.23 109.94 175.619 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 81.7 mtt180 -109.96 137.72 47.35 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-O 120.79 0.329 . . . . 3.21 111.048 -175.763 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 54.8 m-85 -134.11 153.38 51.86 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 115.912 -0.585 . . . . 0.25 109.968 -178.766 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 7.6 m -100.33 -8.34 23.48 Favored 'General case' 0 C--N 1.321 -0.631 0 CA-C-O 121.53 0.681 . . . . 1.16 109.956 176.636 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . 0.522 ' HB2' ' HB2' ' A' ' 19' ' ' GLU . 70.8 mtt180 -113.61 132.04 55.89 Favored 'General case' 0 C--N 1.322 -0.63 0 CA-C-N 115.627 -0.715 . . . . 4.11 109.914 -179.973 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . 0.534 ' HB3' ' CZ ' ' A' ' 3' ' ' PHE . 12.0 p -70.55 -33.87 71.61 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-O 121.239 0.542 . . . . 0.75 110.502 179.459 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 6.2 p-10 -73.89 -27.75 61.21 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 115.83 -0.623 . . . . 1.91 110.478 178.541 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . 0.522 ' HB2' ' HB2' ' A' ' 16' ' ' ARG . 7.2 tp10 -68.41 -42.83 78.42 Favored 'General case' 0 C--N 1.329 -0.321 0 N-CA-C 109.554 -0.536 . . . . 1.38 109.554 175.216 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . 0.43 HD22 ' HB3' ' A' ' 3' ' ' PHE . 49.7 tp -60.99 -45.11 96.12 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.006 -0.543 . . . . 0.17 110.652 175.285 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 48.8 mt-30 -58.71 -48.88 79.6 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-O 120.953 0.406 . . . . 2.34 110.419 176.255 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 39.3 ttm180 -56.61 -41.5 77.16 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.443 -0.799 . . . . 2.47 110.291 177.432 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 63.6 t60 -65.78 -44.58 85.39 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 115.465 -0.789 . . . . 0.19 111.149 179.832 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 66.9 mttm -55.66 -27.19 48.58 Favored 'General case' 0 C--O 1.238 0.477 0 CA-C-O 120.794 0.33 . . . . 1.43 111.253 -179.359 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 52.4 mtp180 -62.32 -19.93 63.82 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.18 -0.464 . . . . 2.9 111.371 179.848 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 80.7 p -71.72 -47.67 52.35 Favored 'General case' 0 C--N 1.33 -0.276 0 C-N-CA 121.005 -0.278 . . . . 0.83 110.513 179.826 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 98.7 m-70 -66.83 -37.68 84.97 Favored 'General case' 0 CA--C 1.518 -0.266 0 CA-C-O 121.257 0.551 . . . . 0.38 110.067 -179.12 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 22.2 p -81.69 5.85 17.1 Favored 'General case' 0 N--CA 1.449 -0.493 0 CA-C-N 115.542 -0.754 . . . . 1.78 111.028 -179.607 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -113.02 4.89 25.57 Favored Glycine 0 N--CA 1.446 -0.645 0 CA-C-N 115.892 -0.595 . . . . 3.94 111.858 177.792 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 45.2 mt-10 -92.03 149.57 21.45 Favored 'General case' 0 C--N 1.327 -0.41 0 N-CA-C 110.177 -0.305 . . . . 7.52 110.177 179.06 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 86.2 tttt -114.95 89.98 3.23 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-O 121.31 0.576 . . . . 8.93 109.941 179.41 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 32' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.32 -0.685 0 CA-C-N 116.293 -0.412 . . . . 6.25 . . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 18.0 mmm180 . . . . . 0 N--CA 1.478 0.963 0 CA-C-O 120.65 0.262 . . . . 4.31 111.204 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 94.4 Cg_endo -81.61 147.51 15.63 Favored 'Trans proline' 0 N--CA 1.457 -0.636 0 C-N-CA 122.25 1.967 . . . . 1.0 111.631 175.647 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 3' ' ' PHE . . . . . 0.521 ' HB3' HD22 ' A' ' 20' ' ' LEU . 96.8 m-85 -117.65 105.05 11.63 Favored 'General case' 0 C--N 1.319 -0.731 0 CA-C-O 120.915 0.388 . . . . 0.73 110.46 -179.612 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 4' ' ' NLE . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 42.9 t -78.5 101.86 7.57 Favored 'General case' 0 C--N 1.32 -0.705 0 CA-C-N 115.735 -0.666 . . . . 0.19 110.111 175.313 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 9.8 p -88.42 34.47 0.75 Allowed 'General case' 0 C--N 1.32 -0.692 0 CA-C-N 115.724 -0.671 . . . . 1.03 111.449 -178.281 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 7' ' ' TRP . . . . . . . . . . . . . 54.0 t-105 -68.56 149.05 49.66 Favored 'General case' 0 N--CA 1.452 -0.348 0 N-CA-C 109.247 -0.649 . . . . 0.68 109.247 174.882 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 8' ' ' AIB . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.539 0.549 0 O-C-N 124.115 0.884 . . . . 0.78 110.462 -178.116 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 83.43 26.49 43.02 Favored Glycine 0 N--CA 1.447 -0.613 0 C-N-CA 121.294 -0.479 . . . . 0.81 113.354 174.61 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 19.1 t -108.37 -84.29 0.54 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 117.264 0.532 . . . . 0.45 111.005 178.819 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 73.43 35.32 56.31 Favored Glycine 0 CA--C 1.519 0.327 0 C-N-CA 120.474 -0.87 . . . . 0.28 112.944 179.909 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 15.5 tptp -84.37 125.02 31.92 Favored 'General case' 0 C--N 1.324 -0.505 0 N-CA-C 109.151 -0.685 . . . . 2.23 109.151 176.246 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 53.2 mtt180 -107.51 140.02 41.13 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-O 121.054 0.454 . . . . 3.21 111.856 -174.564 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 47.0 m-85 -134.81 171.67 14.06 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.542 -0.754 . . . . 0.25 109.914 -178.546 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 19.0 m -108.99 -11.58 14.95 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 121.359 0.599 . . . . 1.16 110.383 175.983 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 86.0 mtm180 -120.1 132.41 55.42 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-N 116.053 -0.521 . . . . 4.11 110.793 -176.26 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . 0.414 ' HB3' ' CE1' ' A' ' 3' ' ' PHE . 13.5 p -66.43 -34.9 78.98 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.46 -0.791 . . . . 0.75 110.866 -177.965 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 31.4 t70 -68.35 -35.0 77.09 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 115.77 -0.65 . . . . 1.91 110.19 177.507 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 39.5 tt0 -68.64 -42.78 77.54 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 115.568 -0.742 . . . . 1.38 109.869 178.307 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . 0.521 HD22 ' HB3' ' A' ' 3' ' ' PHE . 48.7 tp -60.63 -44.71 96.04 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 115.919 -0.582 . . . . 0.17 110.699 174.17 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 6.0 tp-100 -59.52 -51.12 71.22 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-O 121.009 0.433 . . . . 2.34 110.481 178.692 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 62.3 ttp180 -52.64 -51.05 61.85 Favored 'General case' 0 C--O 1.234 0.245 0 CA-C-N 115.522 -0.763 . . . . 2.47 109.939 177.198 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 27.5 t60 -55.32 -48.06 74.73 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.286 -0.87 . . . . 0.19 111.047 178.195 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . 0.464 ' HG3' ' O ' ' A' ' 20' ' ' LEU . 52.9 mtmt -60.78 -25.2 66.35 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.652 0.263 . . . . 1.43 111.407 -176.675 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 91.8 mtt180 -73.56 3.28 6.42 Favored 'General case' 0 N--CA 1.45 -0.473 0 C-N-CA 120.958 -0.297 . . . . 2.9 111.511 179.643 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 70.7 p -90.51 -24.42 20.65 Favored 'General case' 0 N--CA 1.454 -0.272 0 N-CA-C 109.822 -0.436 . . . . 0.83 109.822 170.022 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 97.7 m-70 -83.89 -53.93 5.24 Favored 'General case' 0 CA--C 1.52 -0.18 0 N-CA-C 109.263 -0.643 . . . . 0.38 109.263 175.815 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 30.9 p -90.33 113.86 25.81 Favored 'General case' 0 N--CA 1.449 -0.49 0 CA-C-N 115.587 -0.733 . . . . 1.78 111.221 -176.636 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -83.78 89.51 1.55 Allowed Glycine 0 N--CA 1.448 -0.522 0 N-CA-C 111.339 -0.705 . . . . 3.94 111.339 176.291 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 37.8 mt-10 -68.9 166.36 17.95 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-O 120.701 0.286 . . . . 7.52 111.401 -175.499 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 86.3 tttt 60.51 82.75 0.15 Allowed 'General case' 0 C--O 1.233 0.237 0 CA-C-N 115.429 -0.805 . . . . 8.93 110.917 179.494 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 32' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.32 -0.709 0 CA-C-N 115.613 -0.721 . . . . 6.25 . . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 75.4 mtm180 . . . . . 0 N--CA 1.477 0.916 0 N-CA-C 110.195 -0.298 . . . . 4.31 110.195 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 8.1 Cg_exo -72.54 124.76 10.07 Favored 'Trans proline' 0 C--O 1.236 0.389 0 C-N-CA 122.245 1.963 . . . . 1.0 111.779 175.894 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 3' ' ' PHE . . . . . 0.513 ' CZ ' ' HB3' ' A' ' 17' ' ' SER . 96.1 m-85 -108.0 146.57 32.3 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 116.36 -0.382 . . . . 0.73 110.101 179.191 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 4' ' ' NLE . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 36.8 t -82.85 106.11 14.42 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 115.776 -0.647 . . . . 0.19 110.45 176.865 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 12.6 p -88.99 33.14 0.79 Allowed 'General case' 0 C--N 1.322 -0.628 0 CA-C-N 116.162 -0.472 . . . . 1.03 111.76 -177.471 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 7' ' ' TRP . . . . . . . . . . . . . 40.7 t-105 -72.36 149.64 44.17 Favored 'General case' 0 C--N 1.329 -0.305 0 N-CA-C 109.306 -0.627 . . . . 0.68 109.306 175.476 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 8' ' ' AIB . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.541 0.601 0 O-C-N 123.829 0.706 . . . . 0.78 110.672 -178.005 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 76.72 28.06 59.84 Favored Glycine 0 N--CA 1.451 -0.366 0 C-N-CA 121.317 -0.468 . . . . 0.81 113.555 174.691 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 10.0 t -109.34 -79.97 0.58 Allowed 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 117.202 0.501 . . . . 0.45 110.245 178.344 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 66.55 29.66 75.16 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.692 -0.766 . . . . 0.28 113.191 177.038 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . 0.408 ' HD3' ' CE1' ' A' ' 23' ' ' HIS . 62.7 tttp -80.24 129.79 34.75 Favored 'General case' 0 C--N 1.327 -0.381 0 N-CA-C 109.449 -0.575 . . . . 2.23 109.449 176.5 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 76.1 mtm180 -104.65 144.14 32.13 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-N 116.094 -0.503 . . . . 3.21 111.583 -173.671 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 65.1 m-85 -133.59 160.26 38.01 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.572 -0.74 . . . . 0.25 110.346 -177.9 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 1.1 p -106.25 -7.03 18.01 Favored 'General case' 0 C--N 1.321 -0.669 0 CA-C-O 121.461 0.648 . . . . 1.16 110.154 172.624 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 19.0 mmm180 -122.08 129.18 52.16 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 115.311 -0.859 . . . . 4.11 110.929 179.562 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . 0.513 ' HB3' ' CZ ' ' A' ' 3' ' ' PHE . 9.2 p -67.29 -32.68 73.83 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.327 -0.851 . . . . 0.75 110.834 -179.445 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 7.1 p-10 -67.17 -36.04 80.95 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.101 -0.499 . . . . 1.91 110.18 177.767 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 19.4 mm-40 -63.11 -47.3 83.39 Favored 'General case' 0 CA--C 1.518 -0.281 0 CA-C-N 115.961 -0.563 . . . . 1.38 110.245 174.36 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . 0.413 HD22 ' HB3' ' A' ' 3' ' ' PHE . 56.0 tp -59.39 -45.4 91.58 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.2 -0.455 . . . . 0.17 111.194 178.087 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 21' ' ' GLN . . . . . 0.412 ' O ' ' HG3' ' A' ' 25' ' ' ARG . 78.3 mt-30 -62.44 -50.83 69.91 Favored 'General case' 0 C--O 1.239 0.507 0 CA-C-O 120.814 0.34 . . . . 2.34 111.142 -179.682 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 13.4 ttp180 -58.78 -41.77 87.44 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.211 -0.45 . . . . 2.47 109.883 177.944 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 23' ' ' HIS . . . . . 0.408 ' CE1' ' HD3' ' A' ' 12' ' ' LYS . 35.2 t60 -59.1 -46.29 88.68 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 115.545 -0.752 . . . . 0.19 110.67 177.881 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 55.6 mttm -57.11 -28.22 62.48 Favored 'General case' 0 C--O 1.237 0.447 0 CA-C-O 120.945 0.402 . . . . 1.43 111.019 179.481 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . 0.412 ' HG3' ' O ' ' A' ' 21' ' ' GLN . 89.1 mtt180 -65.61 -15.82 63.11 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.09 -0.504 . . . . 2.9 111.282 179.556 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 43.7 p -85.61 -10.27 56.07 Favored 'General case' 0 C--N 1.333 -0.142 0 CA-C-O 120.809 0.338 . . . . 0.83 111.024 178.606 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 97.1 m-70 -97.38 -47.14 5.81 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 121.327 0.585 . . . . 0.38 109.583 173.41 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 19.6 p -75.15 -36.47 61.55 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 115.529 -0.76 . . . . 1.78 111.798 -176.73 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -125.57 74.46 0.41 Allowed Glycine 0 N--CA 1.448 -0.508 0 C-N-CA 120.6 -0.809 . . . . 3.94 112.43 -177.993 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 44.1 mt-10 -79.57 -51.73 8.91 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-O 121.262 0.553 . . . . 7.52 109.724 177.879 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 55.5 tttm -151.82 87.05 1.33 Allowed 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 115.515 -0.766 . . . . 8.93 109.547 178.307 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 32' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.319 -0.731 0 CA-C-N 116.158 -0.474 . . . . 6.25 . . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 3.9 mmp_? . . . . . 0 N--CA 1.479 0.993 0 N-CA-C 110.044 -0.354 . . . . 4.31 110.044 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 95.4 Cg_endo -79.39 148.22 20.8 Favored 'Trans proline' 0 N--CA 1.459 -0.519 0 C-N-CA 122.226 1.95 . . . . 1.0 111.9 177.217 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 3' ' ' PHE . . . . . 0.412 ' CZ ' ' HB3' ' A' ' 17' ' ' SER . 99.2 m-85 -115.46 141.6 47.83 Favored 'General case' 0 C--N 1.321 -0.655 0 CA-C-N 116.189 -0.46 . . . . 0.73 110.092 -179.504 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 4' ' ' NLE . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 48.8 t -78.86 95.83 5.5 Favored 'General case' 0 C--N 1.321 -0.665 0 CA-C-O 120.985 0.421 . . . . 0.19 110.097 177.123 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 15.0 p -84.31 39.42 0.72 Allowed 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 115.529 -0.76 . . . . 1.03 111.279 -179.406 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 7' ' ' TRP . . . . . . . . . . . . . 5.1 t-105 -86.4 87.03 7.35 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.209 -0.45 . . . . 0.68 110.552 -177.597 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 8' ' ' AIB . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.475 0.776 0 O-C-N 124.061 0.851 . . . . 0.78 111.714 173.156 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 87.82 30.92 16.55 Favored Glycine 0 N--CA 1.45 -0.414 0 C-N-CA 120.56 -0.828 . . . . 0.81 113.242 175.388 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 10' ' ' CYS . . . . . 0.697 ' SG ' ' HD3' ' A' ' 12' ' ' LYS . 34.3 t -79.82 -58.71 3.04 Favored 'General case' 0 C--N 1.321 -0.634 0 N-CA-C 109.603 -0.517 . . . . 0.45 109.603 176.76 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 79.8 4.21 89.39 Favored Glycine 0 N--CA 1.451 -0.362 0 N-CA-C 114.873 0.709 . . . . 0.28 114.873 167.645 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . 0.697 ' HD3' ' SG ' ' A' ' 10' ' ' CYS . 13.8 mptt -71.25 125.37 26.77 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 117.698 0.749 . . . . 2.23 110.178 179.474 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 35.1 mtp85 -102.99 143.76 32.14 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-O 121.093 0.473 . . . . 3.21 111.182 -177.432 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 59.8 m-85 -137.73 153.64 49.72 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-N 115.658 -0.701 . . . . 0.25 109.682 -179.803 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 11.5 p -102.44 5.71 39.75 Favored 'General case' 0 C--N 1.319 -0.741 0 CA-C-O 120.99 0.424 . . . . 1.16 110.914 177.988 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . 0.406 ' HB2' ' HB2' ' A' ' 19' ' ' GLU . 46.8 mtp180 -136.12 134.06 37.92 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 115.883 -0.599 . . . . 4.11 110.162 -179.857 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . 0.412 ' HB3' ' CZ ' ' A' ' 3' ' ' PHE . 22.5 p -67.09 -33.76 76.18 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.886 -0.597 . . . . 0.75 110.606 -178.966 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 19.1 t70 -65.71 -35.82 81.84 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.715 -0.675 . . . . 1.91 110.202 176.38 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . 0.491 ' OE2' ' HD3' ' A' ' 22' ' ' ARG . 8.3 tp10 -68.64 -41.13 79.84 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 115.47 -0.786 . . . . 1.38 109.574 179.081 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . 0.441 ' O ' ' HG2' ' A' ' 24' ' ' LYS . 60.3 tp -61.89 -48.78 78.96 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.737 -0.665 . . . . 0.17 110.781 175.706 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 21' ' ' GLN . . . . . 0.511 ' O ' ' HG3' ' A' ' 25' ' ' ARG . 15.3 mm100 -59.93 -46.63 88.77 Favored 'General case' 0 C--O 1.236 0.348 0 CA-C-O 120.958 0.408 . . . . 2.34 110.738 178.644 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 22' ' ' ARG . . . . . 0.491 ' HD3' ' OE2' ' A' ' 19' ' ' GLU . 74.8 ttt180 -51.02 -53.0 37.31 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.425 -0.807 . . . . 2.47 109.89 175.309 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 41.3 t60 -57.86 -45.51 86.18 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 115.389 -0.823 . . . . 0.19 110.872 178.308 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . 0.441 ' HG2' ' O ' ' A' ' 20' ' ' LEU . 71.2 mmtt -55.24 -29.54 58.25 Favored 'General case' 0 C--O 1.237 0.432 0 CA-C-O 120.685 0.279 . . . . 1.43 111.177 -178.885 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . 0.563 ' HA ' ' OG1' ' A' ' 28' ' ' THR . 74.9 mtp180 -64.71 -13.39 54.38 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.3 -0.409 . . . . 2.9 111.691 -178.286 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 80.3 p -78.8 -33.07 46.51 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.847 0.356 . . . . 0.83 110.166 175.175 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 96.7 m-70 -74.84 -38.03 62.1 Favored 'General case' 0 CA--C 1.517 -0.296 0 CA-C-O 121.362 0.601 . . . . 0.38 109.483 177.605 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 28' ' ' THR . . . . . 0.591 ' HA ' ' N ' ' A' ' 32' ' ' NH2 . 18.3 p -82.39 4.1 25.35 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.513 -0.767 . . . . 1.78 111.76 -178.684 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -66.2 -50.63 49.89 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.964 -0.636 . . . . 3.94 111.883 178.15 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 7.6 mp0 -107.38 -49.37 3.27 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-O 121.192 0.52 . . . . 7.52 109.903 176.388 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 28.6 tptp -81.88 -76.16 0.27 Allowed 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 115.671 -0.695 . . . . 8.93 110.732 -176.0 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 32' ' ' NH2 . . . . . 0.591 ' N ' ' HA ' ' A' ' 28' ' ' THR . . . . . . . . 0 C--N 1.321 -0.67 0 CA-C-N 116.536 -0.302 . . . . 6.25 . . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 37.9 ptt180 . . . . . 0 N--CA 1.481 1.121 0 N-CA-C 110.497 -0.186 . . . . 4.31 110.497 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 98.6 Cg_endo -80.4 152.07 20.37 Favored 'Trans proline' 0 N--CA 1.458 -0.578 0 C-N-CA 122.214 1.943 . . . . 1.0 112.068 176.169 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 96.7 m-85 -121.11 142.16 50.11 Favored 'General case' 0 C--N 1.319 -0.721 0 CA-C-N 115.948 -0.569 . . . . 0.73 109.632 -179.52 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 4' ' ' NLE . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 42.8 t -81.14 95.86 7.01 Favored 'General case' 0 C--N 1.319 -0.736 0 CA-C-N 115.442 -0.799 . . . . 0.19 110.133 177.245 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 8.3 p -87.23 39.39 0.86 Allowed 'General case' 0 C--N 1.32 -0.677 0 CA-C-N 116.115 -0.493 . . . . 1.03 111.237 -179.105 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 7' ' ' TRP . . . . . . . . . . . . . 39.9 t-105 -67.6 144.11 55.73 Favored 'General case' 0 N--CA 1.45 -0.452 0 N-CA-C 108.881 -0.785 . . . . 0.68 108.881 174.744 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 8' ' ' AIB . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.539 0.532 0 O-C-N 124.099 0.874 . . . . 0.78 110.381 -178.886 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 92.03 27.1 17.14 Favored Glycine 0 N--CA 1.446 -0.665 0 C-N-CA 120.946 -0.645 . . . . 0.81 112.884 177.072 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 37.9 t -116.22 -83.04 0.63 Allowed 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 117.215 0.508 . . . . 0.45 111.042 177.516 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 70.34 40.82 69.2 Favored Glycine 0 C--N 1.331 0.254 0 C-N-CA 120.699 -0.762 . . . . 0.28 112.737 -179.904 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 14.4 tptp -90.12 126.83 35.93 Favored 'General case' 0 C--N 1.324 -0.526 0 N-CA-C 109.24 -0.652 . . . . 2.23 109.24 176.856 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 34.3 ttt180 -110.41 136.87 48.9 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-O 121.001 0.429 . . . . 3.21 111.291 -173.347 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 59.1 m-85 -133.12 168.08 19.16 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.81 -0.632 . . . . 0.25 110.127 -177.234 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 3.4 p -115.48 0.37 13.34 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-O 121.074 0.464 . . . . 1.16 111.278 177.41 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 23.5 mmm180 -130.18 137.98 50.37 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.994 -0.548 . . . . 4.11 111.026 -179.877 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 5.9 p -66.32 -40.55 90.01 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.263 -0.881 . . . . 0.75 110.915 -178.684 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 31.9 m-20 -61.39 -33.86 74.38 Favored 'General case' 0 CA--C 1.518 -0.287 0 CA-C-N 115.973 -0.558 . . . . 1.91 110.07 178.349 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 5.4 tp10 -68.76 -48.78 62.87 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 115.214 -0.903 . . . . 1.38 109.66 -179.868 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 56.9 tp -59.97 -42.86 95.05 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 115.851 -0.613 . . . . 0.17 110.891 177.81 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 79.5 mm-40 -60.49 -50.04 75.14 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.734 0.302 . . . . 2.34 111.107 179.329 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 79.5 ttt180 -57.87 -45.24 86.63 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.148 -0.478 . . . . 2.47 109.801 178.21 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 43.1 t60 -60.35 -44.66 95.34 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.578 -0.737 . . . . 0.19 110.961 178.949 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 69.6 mmtt -54.96 -30.09 58.16 Favored 'General case' 0 C--O 1.236 0.386 0 CA-C-O 120.893 0.378 . . . . 1.43 111.025 -179.448 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . 0.411 ' O ' ' HA3' ' A' ' 29' ' ' GLY . 85.2 mtt180 -79.68 13.0 2.26 Favored 'General case' 0 N--CA 1.449 -0.51 0 CA-C-N 115.979 -0.555 . . . . 2.9 111.953 -177.71 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 61.9 p -93.11 -33.36 14.09 Favored 'General case' 0 C--N 1.33 -0.267 0 N-CA-C 109.179 -0.675 . . . . 0.83 109.179 166.732 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 96.5 m-70 -79.1 -40.58 30.78 Favored 'General case' 0 C--N 1.331 -0.196 0 N-CA-C 108.989 -0.745 . . . . 0.38 108.989 175.658 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 21.4 p -110.28 46.84 1.0 Allowed 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.155 -0.93 . . . . 1.78 110.705 -179.137 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . 0.411 ' HA3' ' O ' ' A' ' 25' ' ' ARG . . . -146.14 -165.95 11.78 Favored Glycine 0 N--CA 1.447 -0.572 0 C-N-CA 120.692 -0.766 . . . . 3.94 112.11 -178.143 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 32.3 mm-40 -72.35 -51.37 20.91 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-O 120.702 0.287 . . . . 7.52 111.1 -176.885 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 23.2 tptm -104.35 81.79 1.86 Allowed 'General case' 0 C--N 1.323 -0.548 0 CA-C-O 121.435 0.636 . . . . 8.93 109.715 177.753 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 32' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.318 -0.784 0 CA-C-N 115.895 -0.593 . . . . 6.25 . . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 67.2 ttt180 . . . . . 0 N--CA 1.48 1.046 0 N-CA-C 109.97 -0.381 . . . . 4.31 109.97 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 73.2 Cg_endo -76.76 143.21 23.47 Favored 'Trans proline' 0 C--N 1.345 0.343 0 C-N-CA 122.351 2.034 . . . . 1.0 111.979 176.064 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 3' ' ' PHE . . . . . 0.511 ' CZ ' ' HB3' ' A' ' 17' ' ' SER . 96.6 m-85 -129.86 144.21 51.2 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 116.247 -0.433 . . . . 0.73 110.105 178.797 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 4' ' ' NLE . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 42.8 t -85.72 99.96 11.68 Favored 'General case' 0 C--N 1.319 -0.753 0 CA-C-N 115.609 -0.723 . . . . 0.19 110.28 176.946 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 3.3 m -84.17 30.65 0.52 Allowed 'General case' 0 C--N 1.322 -0.592 0 CA-C-N 115.63 -0.714 . . . . 1.03 110.963 -177.804 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 7' ' ' TRP . . . . . . . . . . . . . 32.2 t-105 -67.68 142.36 56.37 Favored 'General case' 0 N--CA 1.45 -0.47 0 N-CA-C 108.89 -0.782 . . . . 0.68 108.89 175.714 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 8' ' ' AIB . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.54 0.562 0 O-C-N 123.995 0.809 . . . . 0.78 110.728 -177.173 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 88.16 10.07 69.32 Favored Glycine 0 N--CA 1.45 -0.431 0 C-N-CA 120.909 -0.662 . . . . 0.81 113.451 174.452 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 19.9 t -99.4 -81.2 0.46 Allowed 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 117.185 0.493 . . . . 0.45 110.829 -178.961 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 67.97 37.59 87.94 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.339 -0.934 . . . . 0.28 112.753 178.439 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 50.7 tptt -83.26 131.61 35.08 Favored 'General case' 0 C--N 1.324 -0.504 0 N-CA-C 109.093 -0.706 . . . . 2.23 109.093 175.422 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 87.9 mtm180 -108.72 146.11 34.03 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-O 121.216 0.531 . . . . 3.21 112.034 -173.044 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 64.9 m-85 -142.03 167.78 21.3 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.262 -0.881 . . . . 0.25 109.919 -178.685 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 7.4 m -120.84 -2.71 9.76 Favored 'General case' 0 C--N 1.32 -0.704 0 CA-C-O 121.533 0.682 . . . . 1.16 109.841 174.945 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 30.7 mmt180 -121.94 132.89 54.79 Favored 'General case' 0 C--O 1.237 0.433 0 CA-C-N 115.708 -0.678 . . . . 4.11 110.605 179.04 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . 0.511 ' HB3' ' CZ ' ' A' ' 3' ' ' PHE . 6.7 p -69.41 -38.55 77.98 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.246 -0.888 . . . . 0.75 111.833 -174.143 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 14.0 m-20 -69.44 -28.21 65.92 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.306 -0.406 . . . . 1.91 110.195 178.11 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 8.5 tp10 -70.95 -46.33 62.59 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.673 -0.694 . . . . 1.38 109.515 178.172 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . 0.415 HD22 ' HB3' ' A' ' 3' ' ' PHE . 47.5 tp -59.34 -40.93 87.97 Favored 'General case' 0 C--O 1.223 -0.339 0 CA-C-N 116.091 -0.504 . . . . 0.17 110.363 173.51 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 33.6 tt0 -58.64 -49.95 75.62 Favored 'General case' 0 C--O 1.239 0.505 0 CA-C-N 116.224 -0.444 . . . . 2.34 110.95 177.788 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 22' ' ' ARG . . . . . 0.419 HH11 ' HD2' ' A' ' 22' ' ' ARG . 38.9 ttm180 -54.7 -49.51 70.53 Favored 'General case' 0 CA--C 1.519 -0.246 0 CA-C-N 115.83 -0.623 . . . . 2.47 109.908 176.032 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 45.3 t60 -57.62 -40.84 80.06 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 115.307 -0.861 . . . . 0.19 111.062 179.432 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 70.9 mmtt -60.79 -32.91 72.24 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-O 120.85 0.357 . . . . 1.43 110.475 177.717 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . 0.538 ' HA ' ' OG1' ' A' ' 28' ' ' THR . 98.8 mtt180 -69.93 -10.33 58.16 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.185 -0.461 . . . . 2.9 110.605 178.143 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 11.9 m -82.7 -20.84 35.33 Favored 'General case' 0 CA--C 1.535 0.386 0 CA-C-N 116.09 -0.505 . . . . 0.83 110.335 175.665 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 97.6 m-70 -91.32 -35.41 14.45 Favored 'General case' 0 CA--C 1.522 -0.122 0 N-CA-C 109.202 -0.666 . . . . 0.38 109.202 172.608 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 28' ' ' THR . . . . . 0.538 ' OG1' ' HA ' ' A' ' 25' ' ' ARG . 19.7 p -93.82 36.07 1.12 Allowed 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.486 -0.779 . . . . 1.78 110.82 179.128 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 172.73 159.6 19.61 Favored Glycine 0 N--CA 1.444 -0.787 0 CA-C-N 115.712 -0.676 . . . . 3.94 111.569 179.099 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 46.5 mt-10 -126.03 -16.63 5.52 Favored 'General case' 0 C--N 1.322 -0.587 0 CA-C-O 120.947 0.403 . . . . 7.52 110.541 179.906 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 59.5 mtpt -134.15 71.69 1.46 Allowed 'General case' 0 C--N 1.326 -0.429 0 CA-C-O 121.312 0.577 . . . . 8.93 110.299 -179.115 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 32' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.319 -0.724 0 CA-C-N 115.997 -0.547 . . . . 6.25 . . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 1' ' ' ARG . . . . . 0.414 HH11 ' HD2' ' A' ' 1' ' ' ARG . 42.8 mtm180 . . . . . 0 N--CA 1.479 1.006 0 CA-C-O 120.399 0.142 . . . . 4.31 110.671 . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 84.8 Cg_endo -82.04 124.0 4.24 Favored 'Trans proline' 0 N--CA 1.455 -0.755 0 C-N-CA 122.216 1.944 . . . . 1.0 111.326 173.671 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 84.6 m-85 -82.78 86.59 6.87 Favored 'General case' 0 C--N 1.32 -0.717 0 CA-C-O 121.519 0.676 . . . . 0.73 109.451 -179.397 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 4' ' ' NLE . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 26.7 t -81.89 100.26 9.52 Favored 'General case' 0 C--N 1.318 -0.768 0 CA-C-N 115.414 -0.812 . . . . 0.19 110.239 174.788 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 21.0 p -84.38 35.52 0.55 Allowed 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 116.393 -0.367 . . . . 1.03 111.713 -178.386 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 7' ' ' TRP . . . . . . . . . . . . . 47.1 t-105 -70.31 139.41 52.06 Favored 'General case' 0 N--CA 1.449 -0.492 0 N-CA-C 108.636 -0.876 . . . . 0.68 108.636 174.669 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 8' ' ' AIB . . . . . . . . . . . . . . . . . . . . 0 C--N 1.323 -0.577 0 O-C-N 123.814 0.697 . . . . 0.78 110.142 -175.368 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 92.29 7.21 63.94 Favored Glycine 0 N--CA 1.446 -0.646 0 C-N-CA 120.835 -0.698 . . . . 0.81 113.001 176.009 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 46.0 t -105.78 -80.62 0.55 Allowed 'General case' 0 C--N 1.324 -0.54 0 O-C-N 122.765 -0.256 . . . . 0.45 110.726 -179.602 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 66.79 36.18 90.78 Favored Glycine 0 CA--C 1.519 0.303 0 C-N-CA 120.753 -0.737 . . . . 0.28 113.054 178.863 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 22.6 tptm -85.13 123.87 31.15 Favored 'General case' 0 C--N 1.323 -0.55 0 N-CA-C 110.12 -0.326 . . . . 2.23 110.12 179.615 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 73.3 mtm180 -97.82 141.1 31.22 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-O 120.829 0.347 . . . . 3.21 111.689 -175.297 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 71.2 m-85 -133.33 158.93 41.74 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.003 -0.544 . . . . 0.25 110.332 177.527 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 11.1 m -104.98 -7.17 19.44 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-O 121.576 0.703 . . . . 1.16 110.107 177.952 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 21.1 mmt180 -122.35 131.04 53.7 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.663 -0.699 . . . . 4.11 110.16 178.844 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 6.9 m -65.57 -38.23 88.96 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 115.968 -0.56 . . . . 0.75 111.36 -177.151 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 4.7 p-10 -69.31 -27.85 65.74 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.391 -0.368 . . . . 1.91 110.44 179.238 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . 0.416 ' OE2' ' HD3' ' A' ' 22' ' ' ARG . 9.5 tp10 -69.31 -42.04 75.92 Favored 'General case' 0 C--N 1.323 -0.556 0 N-CA-C 109.387 -0.597 . . . . 1.38 109.387 175.392 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 54.0 tp -62.84 -45.71 91.31 Favored 'General case' 0 C--N 1.332 -0.17 0 CA-C-N 115.844 -0.616 . . . . 0.17 110.76 175.471 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 98.3 mt-30 -60.4 -46.11 91.15 Favored 'General case' 0 C--O 1.237 0.419 0 CA-C-O 121.102 0.477 . . . . 2.34 110.542 177.747 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 22' ' ' ARG . . . . . 0.416 ' HD3' ' OE2' ' A' ' 19' ' ' GLU . 57.0 ttt180 -54.01 -46.23 71.72 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.291 -0.868 . . . . 2.47 110.174 174.666 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 50.8 t60 -63.65 -44.94 92.35 Favored 'General case' 0 C--N 1.321 -0.64 0 CA-C-N 115.272 -0.877 . . . . 0.19 111.278 179.994 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 70.9 mmtt -54.54 -27.3 37.51 Favored 'General case' 0 C--O 1.236 0.387 0 CA-C-N 116.441 -0.345 . . . . 1.43 111.515 -178.14 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 82.8 mtp180 -61.44 -16.72 49.59 Favored 'General case' 0 CA--C 1.53 0.204 0 CA-C-N 116.233 -0.44 . . . . 2.9 111.644 -179.385 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 67.7 p -78.64 -32.22 47.21 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 120.734 0.302 . . . . 0.83 111.297 179.519 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 97.3 m-70 -86.89 -51.1 6.25 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-O 121.015 0.436 . . . . 0.38 110.677 -178.19 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 9.0 t -155.31 -179.27 7.92 Favored 'General case' 0 N--CA 1.449 -0.475 0 CA-C-N 116.0 -0.545 . . . . 1.78 110.495 -171.116 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 98.59 -40.33 2.5 Favored Glycine 0 N--CA 1.448 -0.557 0 N-CA-C 111.054 -0.818 . . . . 3.94 111.054 -176.985 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 12.6 pt-20 -160.54 160.85 32.39 Favored 'General case' 0 C--N 1.321 -0.64 0 N-CA-C 109.12 -0.696 . . . . 7.52 109.12 177.307 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 44.9 mtmt -129.05 -81.38 0.57 Allowed 'General case' 0 C--N 1.322 -0.587 0 CA-C-O 121.199 0.523 . . . . 8.93 110.451 -175.348 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 32' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.32 -0.694 0 CA-C-N 116.181 -0.463 . . . . 6.25 . . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 stop_ save_