data_1s8k_residue save_MolProbity _Software.Sf_category software _Software.Sf_framecode MolProbity _Software.Entry_ID ? _Software.ID 1 _Software.Name MolProbity _Software.Version 4.0 _Software.Details . save_ save_CYRANGE _Software.Sf_category software _Software.Sf_framecode CYRANGE _Software.Entry_ID ? _Software.ID 2 _Software.Name CYRANGE _Software.Version 2.0 _Software.Details . save_ save_Structure_validation_residue _Structure_validation_residue.Sf_category structure_validation _Structure_validation_residue.Sf_framecode Structure_validation_residue _Structure_validation_residue.Entry_ID ? _Structure_validation_residue.List_ID 1 _Structure_validation_residue.PDB_accession_code 1s8k _Structure_validation_residue.Date_analyzed 2016-10-07 loop_ _Residue_analysis_software.Software_ID _Residue_analysis_software.Software_label _Residue_analysis_software.Method_ID _Residue_analysis_software.Method_label _Residue_analysis_software.Entry_ID _Residue_analysis_software.Structure_validation_oneline_list_ID 1 MolProbity . . ? 1 2 CYRANGE . . ? 1 stop_ loop_ _Residue_analysis.ID _Residue_analysis.PDB_model_num _Residue_analysis.Hydrogen_positions _Residue_analysis.MolProbity_flips _Residue_analysis.Cyrange_core_flag _Residue_analysis.Two_letter_chain_ID _Residue_analysis.PDB_strand_ID _Residue_analysis.PDB_residue_no _Residue_analysis.PDB_ins_code _Residue_analysis.PDB_residue_name _Residue_analysis.Assembly_ID _Residue_analysis.Entity_assembly_ID _Residue_analysis.Entity_ID _Residue_analysis.Comp_ID _Residue_analysis.Comp_index_ID _Residue_analysis.Clash_value _Residue_analysis.Clash_source_PDB_atom_name _Residue_analysis.Clash_destination_PDB_atom_name _Residue_analysis.Clash_destination_PDB_strand_ID _Residue_analysis.Clash_destination_PDB_residue_no _Residue_analysis.Clash_destination_PDB_ins_code _Residue_analysis.Clash_destination_PDB_residue_name _Residue_analysis.Cbeta_deviation_value _Residue_analysis.Rotamer_score _Residue_analysis.Rotamer_name _Residue_analysis.Ramachandran_phi _Residue_analysis.Ramachandran_psi _Residue_analysis.Ramachandran_score _Residue_analysis.Ramachandran_evaluation _Residue_analysis.Ramachandran_type _Residue_analysis.Bond_outlier_count _Residue_analysis.Worst_bond _Residue_analysis.Worst_bond_value _Residue_analysis.Worst_bond_sigma _Residue_analysis.Angle_outlier_count _Residue_analysis.Worst_angle _Residue_analysis.Worst_angle_value _Residue_analysis.Worst_angle_sigma _Residue_analysis.RNA_phosphate_perpendicular_outlier _Residue_analysis.RNA_suitness_score _Residue_analysis.RNA_suite_conformer _Residue_analysis.RNA_suite_triage _Residue_analysis.Max_b_factor _Residue_analysis.Tau_angle _Residue_analysis.Omega_dihedral _Residue_analysis.Disulfide_chi1 _Residue_analysis.Disulfide_chi2 _Residue_analysis.Disulfide_chi3 _Residue_analysis.Disulfide_ss_angle _Residue_analysis.Disulfide_ss _Residue_analysis.Disulfide_ss_angle_prime _Residue_analysis.Disulfide_chi2prime _Residue_analysis.Disulfide_chi1prime _Residue_analysis.Outlier_count_separate_geometry _Residue_analysis.Outlier_count _Residue_analysis.Entry_ID _Residue_analysis.Structure_validation_residue_list_ID . 001 nuclear orig core ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 85.3 mt-30 . . . . . 0 CA--C 1.533 0.312 0 N-CA-C 111.972 0.36 . . . . 0.0 111.972 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 22.0 p -136.57 159.37 42.0 Favored 'General case' 0 CA--C 1.514 -0.416 0 C-N-CA 124.684 1.194 . . . . 0.0 109.591 -176.285 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 91.0 mt-30 -99.08 -37.19 9.44 Favored 'General case' 0 N--CA 1.448 -0.528 0 C-N-CA 125.696 1.599 . . . . 0.0 109.043 171.668 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 23.0 m -160.22 164.69 32.56 Favored 'General case' 0 C--O 1.225 -0.232 0 N-CA-C 109.151 -0.685 . . . . 0.0 109.151 -171.224 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 9.8 p -47.69 -37.83 6.01 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.468 0 C-N-CA 123.748 0.819 . . . . 0.0 112.443 -178.433 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 8.6 tmm_? -29.14 -54.03 0.12 Allowed 'General case' 0 CA--C 1.534 0.36 0 C-N-CA 127.826 2.451 . . . . 0.0 113.345 165.207 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 66.8 m-20 -61.46 -47.77 84.19 Favored 'General case' 0 N--CA 1.445 -0.712 0 C-N-CA 125.125 1.37 . . . . 0.0 108.941 -177.708 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 10' ' ' CYS . . . . . 0.433 ' HB3' ' CB ' ' A' ' 17' ' ' PRO . 0.1 OUTLIER -66.82 -32.71 74.16 Favored 'General case' 0 N--CA 1.447 -0.61 0 C-N-CA 118.325 -1.35 . . . . 0.0 112.099 174.954 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 89.1 mt-30 -61.04 -38.14 85.11 Favored 'General case' 0 CA--C 1.53 0.204 0 CA-C-N 120.08 1.309 . . . . 0.0 110.788 -175.516 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 6.7 pt20 -71.24 -35.36 71.42 Favored 'General case' 0 N--CA 1.441 -0.881 0 O-C-N 121.612 -0.68 . . . . 0.0 111.546 171.043 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 17.3 t80 -67.69 -38.71 84.05 Favored 'General case' 0 CA--C 1.54 0.558 0 N-CA-C 114.063 1.134 . . . . 0.0 114.063 -179.593 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 19.2 m -143.28 138.47 29.58 Favored 'General case' 0 CA--C 1.52 -0.177 0 C-N-CA 127.289 2.235 . . . . 0.0 108.618 -162.176 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 3.9 mm? -63.73 -41.85 98.0 Favored 'General case' 0 CA--C 1.532 0.265 0 O-C-N 122.309 -0.244 . . . . 0.0 110.652 177.576 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 18.9 m -129.31 78.84 75.23 Favored Pre-proline 0 C--O 1.236 0.387 0 C-N-CA 123.138 0.575 . . . . 0.0 111.682 -178.831 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 17' ' ' PRO . . . . . 0.433 ' CB ' ' HB3' ' A' ' 10' ' ' CYS . 4.8 Cg_endo -65.38 159.4 47.67 Favored 'Trans proline' 0 N--CA 1.434 -1.997 0 C-N-CA 121.133 1.222 . . . . 0.0 112.668 175.382 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 17.3 t70 -92.41 -61.77 1.54 Allowed 'General case' 0 N--CA 1.448 -0.561 0 N-CA-C 107.677 -1.231 . . . . 0.0 107.677 172.316 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 2.4 ptt180 -158.04 148.7 20.69 Favored 'General case' 0 N--CA 1.445 -0.705 0 C-N-CA 122.674 0.39 . . . . 0.0 110.503 179.065 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 42.0 t -79.67 109.69 14.31 Favored 'General case' 0 N--CA 1.455 -0.178 0 N-CA-C 105.896 -1.89 . . . . 0.0 105.896 149.772 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 2.9 m -161.07 157.43 26.08 Favored 'General case' 0 N--CA 1.449 -0.519 0 N-CA-C 107.319 -1.363 . . . . 0.0 107.319 -173.717 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 16.1 t80 51.61 32.92 9.81 Favored 'General case' 0 CA--C 1.541 0.604 0 C-N-CA 123.128 0.571 . . . . 0.0 112.187 179.376 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 52.67 28.44 30.17 Favored Glycine 0 CA--C 1.533 1.172 0 C-N-CA 124.426 1.012 . . . . 0.0 113.901 -177.591 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 12.0 m -152.94 114.97 4.36 Favored 'General case' 0 C--O 1.226 -0.176 0 N-CA-C 107.315 -1.365 . . . . 0.0 107.315 -175.116 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 25' ' ' CYS . . . . . . . . . . . . 0.254 0.5 OUTLIER -72.94 103.47 3.76 Favored 'General case' 0 CA--C 1.536 0.413 0 CA-C-O 122.591 1.186 . . . . 0.0 110.024 -171.305 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 68.0 m-85 -69.58 132.74 46.7 Favored 'General case' 0 N--CA 1.448 -0.548 0 C-N-CA 125.993 1.717 . . . . 0.0 108.115 179.686 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 36.8 m . . . . . 0 C--N 1.343 0.285 0 O-C-N 123.623 0.577 . . . . 0.0 111.264 173.869 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 81.0 mt-30 . . . . . 0 CA--C 1.531 0.223 0 N-CA-C 110.251 -0.277 . . . . 0.0 110.251 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 4.5 p -136.41 152.92 51.13 Favored 'General case' 0 N--CA 1.449 -0.48 0 C-N-CA 125.606 1.562 . . . . 0.0 108.774 178.846 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 8.3 tt0 -78.58 -42.08 30.09 Favored 'General case' 0 N--CA 1.452 -0.343 0 C-N-CA 124.733 1.213 . . . . 0.0 109.687 166.414 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 9.7 m -168.57 175.37 6.23 Favored 'General case' 0 CA--C 1.529 0.166 0 C-N-CA 126.419 1.888 . . . . 0.0 106.838 -174.782 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 7.9 p -49.03 -37.93 10.26 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.392 0 C-N-CA 123.683 0.793 . . . . 0.0 112.346 -177.988 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 48.0 ttt85 -47.18 -40.03 15.08 Favored 'General case' 0 CA--C 1.533 0.317 0 C-N-CA 125.117 1.367 . . . . 0.0 112.493 174.63 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -63.83 -47.92 78.89 Favored 'General case' 0 N--CA 1.454 -0.238 0 N-CA-C 109.126 -0.694 . . . . 0.0 109.126 176.771 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 10' ' ' CYS . . . . . 0.434 ' SG ' ' HB3' ' A' ' 17' ' ' PRO . 0.1 OUTLIER -60.25 -33.53 72.42 Favored 'General case' 0 N--CA 1.448 -0.569 0 C-N-CA 117.536 -1.666 . . . . 0.0 111.072 175.372 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 40.9 mt-30 -57.33 -35.89 70.46 Favored 'General case' 0 CA--C 1.536 0.41 0 CA-C-N 120.105 1.321 . . . . 0.0 111.795 -179.075 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 16.2 pt20 -75.6 -29.16 59.17 Favored 'General case' 0 N--CA 1.446 -0.672 0 CA-C-N 119.246 0.93 . . . . 0.0 111.644 172.356 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 4.3 t80 -73.97 -35.89 64.52 Favored 'General case' 0 CA--C 1.542 0.672 0 C-N-CA 124.246 1.018 . . . . 0.0 113.51 -179.734 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 10.3 m -145.89 139.07 26.02 Favored 'General case' 0 N--CA 1.462 0.132 0 C-N-CA 127.19 2.196 . . . . 0.0 107.965 -163.282 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 3.9 mm? -63.17 -41.95 99.32 Favored 'General case' 0 CA--C 1.532 0.287 0 CA-C-O 119.636 -0.221 . . . . 0.0 110.485 176.548 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 14.2 m -130.54 77.64 75.49 Favored Pre-proline 0 CA--C 1.537 0.467 0 C-N-CA 123.075 0.55 . . . . 0.0 111.991 -177.607 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 17' ' ' PRO . . . . . 0.434 ' HB3' ' SG ' ' A' ' 10' ' ' CYS . 5.3 Cg_endo -65.04 160.22 42.72 Favored 'Trans proline' 0 N--CA 1.436 -1.903 0 C-N-CA 121.467 1.445 . . . . 0.0 112.814 176.052 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 27.9 t70 -96.58 -61.36 1.43 Allowed 'General case' 0 N--CA 1.449 -0.49 0 C-N-CA 125.525 1.53 . . . . 0.0 107.401 175.269 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 11.1 ptt180 -158.31 150.95 22.23 Favored 'General case' 0 N--CA 1.44 -0.944 0 C-N-CA 122.623 0.369 . . . . 0.0 110.132 -179.613 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 47.7 t -87.37 110.58 20.35 Favored 'General case' 0 C--N 1.333 -0.144 0 N-CA-C 105.552 -2.018 . . . . 0.0 105.552 151.872 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 3.3 m -160.73 145.08 13.93 Favored 'General case' 0 N--CA 1.45 -0.468 0 N-CA-C 108.097 -1.075 . . . . 0.0 108.097 -169.206 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 79.6 m-85 50.24 41.31 23.98 Favored 'General case' 0 CA--C 1.536 0.41 0 C-N-CA 123.186 0.595 . . . . 0.0 110.767 -172.013 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 55.05 19.43 15.44 Favored Glycine 0 CA--C 1.536 1.354 0 C-N-CA 124.258 0.932 . . . . 0.0 114.069 -178.015 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 62.5 m -124.2 136.19 53.99 Favored 'General case' 0 N--CA 1.45 -0.428 0 C-N-CA 126.595 1.958 . . . . 0.0 107.057 -173.36 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 25' ' ' CYS . . . . . . . . . . . . 0.271 0.1 OUTLIER -92.17 87.87 6.27 Favored 'General case' 0 CA--C 1.537 0.462 0 CA-C-O 122.961 1.362 . . . . 0.0 107.932 175.013 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 39.1 m-85 -64.88 137.49 57.79 Favored 'General case' 0 N--CA 1.454 -0.24 0 C-N-CA 125.081 1.352 . . . . 0.0 108.399 175.984 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 18.0 m . . . . . 0 C--N 1.343 0.296 0 C-N-CA 123.749 0.82 . . . . 0.0 111.663 174.758 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 85.5 mt-30 . . . . . 0 N--CA 1.457 -0.113 0 N-CA-C 110.067 -0.345 . . . . 0.0 110.067 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 24.7 p -145.1 160.06 42.0 Favored 'General case' 0 N--CA 1.449 -0.49 0 C-N-CA 124.838 1.255 . . . . 0.0 109.949 -168.226 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 34.7 mt-30 -108.85 -25.21 10.9 Favored 'General case' 0 N--CA 1.45 -0.428 0 C-N-CA 125.558 1.543 . . . . 0.0 110.47 173.814 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 11.0 m -162.39 156.67 21.55 Favored 'General case' 0 C--O 1.222 -0.391 0 N-CA-C 108.467 -0.938 . . . . 0.0 108.467 -175.558 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 7.8 p -49.61 -32.6 7.06 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.511 0 N-CA-C 113.179 0.807 . . . . 0.0 113.179 -175.008 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 82.7 mtt85 -46.19 -42.44 14.08 Favored 'General case' 0 CA--C 1.535 0.393 0 C-N-CA 124.668 1.187 . . . . 0.0 112.81 172.894 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 64.2 m-20 -55.0 -52.56 62.73 Favored 'General case' 0 N--CA 1.447 -0.602 0 N-CA-C 108.17 -1.048 . . . . 0.0 108.17 174.665 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 10' ' ' CYS . . . . . 0.414 ' SG ' ' HB3' ' A' ' 17' ' ' PRO . 0.1 OUTLIER -61.11 -36.38 79.57 Favored 'General case' 0 C--O 1.219 -0.514 0 C-N-CA 118.709 -1.196 . . . . 0.0 112.277 174.746 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 39.3 mt-30 -57.42 -37.94 73.57 Favored 'General case' 0 CA--C 1.531 0.239 0 CA-C-N 120.153 1.342 . . . . 0.0 110.815 179.742 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -69.97 -28.44 65.54 Favored 'General case' 0 N--CA 1.446 -0.658 0 O-C-N 121.487 -0.758 . . . . 0.0 110.992 174.163 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 5.8 t80 -80.25 -34.63 36.95 Favored 'General case' 0 CA--C 1.539 0.553 0 C-N-CA 124.443 1.097 . . . . 0.0 113.48 -177.156 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 8.1 m -145.89 139.62 26.42 Favored 'General case' 0 CA--C 1.52 -0.197 0 C-N-CA 126.414 1.886 . . . . 0.0 108.899 -162.614 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 4.0 mm? -61.76 -42.75 99.39 Favored 'General case' 0 CA--C 1.531 0.221 0 N-CA-C 110.187 -0.301 . . . . 0.0 110.187 173.699 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 5.9 m -129.13 72.0 81.99 Favored Pre-proline 0 C--O 1.237 0.442 0 N-CA-C 112.115 0.413 . . . . 0.0 112.115 -172.064 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 17' ' ' PRO . . . . . 0.414 ' HB3' ' SG ' ' A' ' 10' ' ' CYS . 2.1 Cg_endo -66.46 173.85 7.11 Favored 'Trans proline' 0 N--CA 1.431 -2.155 0 CA-C-O 122.765 1.069 . . . . 0.0 113.287 -179.29 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 9.7 t70 -104.84 -61.96 1.4 Allowed 'General case' 0 N--CA 1.44 -0.959 0 CA-C-N 114.558 -1.201 . . . . 0.0 108.175 170.229 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -162.34 152.0 16.06 Favored 'General case' 0 N--CA 1.445 -0.684 0 N-CA-C 108.126 -1.064 . . . . 0.0 108.126 -175.932 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 52.4 t -77.58 110.92 12.8 Favored 'General case' 0 N--CA 1.448 -0.555 0 N-CA-C 105.711 -1.959 . . . . 0.0 105.711 146.009 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 2.1 m -152.62 142.4 22.0 Favored 'General case' 0 N--CA 1.449 -0.521 0 N-CA-C 108.8 -0.815 . . . . 0.0 108.8 -174.182 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 72.8 m-85 50.43 42.16 25.89 Favored 'General case' 0 CA--C 1.537 0.456 0 C-N-CA 123.773 0.829 . . . . 0.0 110.87 -170.346 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 55.48 18.34 15.11 Favored Glycine 0 CA--C 1.534 1.227 0 C-N-CA 124.145 0.879 . . . . 0.0 113.883 -178.288 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 56.6 m -123.46 136.44 54.59 Favored 'General case' 0 N--CA 1.45 -0.466 0 C-N-CA 126.589 1.956 . . . . 0.0 106.29 -174.13 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 25' ' ' CYS . . . . . . . . . . . . 0.261 0.0 OUTLIER -85.82 91.78 8.43 Favored 'General case' 0 CA--C 1.534 0.338 0 N-CA-C 107.338 -1.356 . . . . 0.0 107.338 174.342 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 13.5 m-85 -64.19 130.03 42.31 Favored 'General case' 0 N--CA 1.451 -0.375 0 N-CA-C 106.988 -1.486 . . . . 0.0 106.988 172.889 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 11.1 m . . . . . 0 CA--C 1.514 -0.419 0 CA-C-N 118.202 0.455 . . . . 0.0 110.462 166.264 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 77.0 mt-30 . . . . . 0 CA--C 1.53 0.204 0 N-CA-C 111.628 0.233 . . . . 0.0 111.628 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 12.5 p -146.24 157.0 43.78 Favored 'General case' 0 N--CA 1.45 -0.432 0 C-N-CA 124.892 1.277 . . . . 0.0 108.664 -178.315 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 20.8 tt0 -90.59 -40.99 11.61 Favored 'General case' 0 N--CA 1.446 -0.648 0 C-N-CA 125.965 1.706 . . . . 0.0 108.098 171.733 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 13.1 m -162.97 170.29 18.32 Favored 'General case' 0 C--O 1.224 -0.289 0 N-CA-C 108.819 -0.808 . . . . 0.0 108.819 -170.299 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 7.6 p -50.64 -34.14 12.26 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.583 0 O-C-N 121.313 -0.867 . . . . 0.0 112.455 179.739 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 17.6 mtm105 -39.95 -45.12 1.82 Allowed 'General case' 0 N--CA 1.467 0.388 0 C-N-CA 125.627 1.571 . . . . 0.0 113.08 170.432 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 40.3 m-20 -61.74 -55.77 26.71 Favored 'General case' 0 N--CA 1.449 -0.52 0 C-N-CA 124.238 1.015 . . . . 0.0 108.655 178.965 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 10' ' ' CYS . . . . . 0.408 ' HB3' ' CB ' ' A' ' 17' ' ' PRO . 0.1 OUTLIER -59.9 -33.16 71.48 Favored 'General case' 0 C--O 1.218 -0.564 0 C-N-CA 118.898 -1.121 . . . . 0.0 111.809 178.737 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 40.9 mt-30 -59.71 -26.26 65.47 Favored 'General case' 0 CA--C 1.533 0.305 0 CA-C-N 120.147 1.339 . . . . 0.0 111.323 -179.226 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 33.9 mt-30 -78.79 -42.45 27.83 Favored 'General case' 0 CA--C 1.532 0.272 0 N-CA-C 109.43 -0.582 . . . . 0.0 109.43 173.071 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 27.3 t80 -65.15 -40.97 95.1 Favored 'General case' 0 CA--C 1.536 0.433 0 N-CA-C 113.722 1.008 . . . . 0.0 113.722 -177.576 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 14.0 m -136.64 139.73 42.25 Favored 'General case' 0 C--N 1.332 -0.189 0 C-N-CA 127.499 2.32 . . . . 0.0 108.791 -164.929 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -61.66 -47.77 83.85 Favored 'General case' 0 CA--C 1.534 0.34 0 N-CA-C 109.476 -0.565 . . . . 0.0 109.476 175.095 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 24.2 m -125.2 84.45 59.5 Favored Pre-proline 0 C--O 1.24 0.58 0 C-N-CA 123.553 0.741 . . . . 0.0 110.923 -178.958 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 17' ' ' PRO . . . . . 0.408 ' CB ' ' HB3' ' A' ' 10' ' ' CYS . 6.7 Cg_endo -69.22 161.36 46.17 Favored 'Trans proline' 0 N--CA 1.436 -1.899 0 C-N-CA 121.749 1.633 . . . . 0.0 113.045 172.245 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 25.7 t0 -93.84 -62.28 1.38 Allowed 'General case' 0 N--CA 1.45 -0.455 0 C-N-CA 125.205 1.402 . . . . 0.0 107.422 173.976 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 3.9 ptt180 -158.65 154.4 26.39 Favored 'General case' 0 N--CA 1.444 -0.767 0 C-N-CA 123.592 0.757 . . . . 0.0 110.058 -179.655 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 43.6 t -88.13 111.5 21.65 Favored 'General case' 0 C--N 1.332 -0.165 0 N-CA-C 105.528 -2.027 . . . . 0.0 105.528 150.787 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 3.0 m -163.08 153.44 16.21 Favored 'General case' 0 N--CA 1.45 -0.441 0 C-N-CA 123.536 0.734 . . . . 0.0 109.175 -168.965 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 8.9 t80 51.0 37.61 18.21 Favored 'General case' 0 CA--C 1.539 0.538 0 C-N-CA 123.407 0.683 . . . . 0.0 111.46 -179.839 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 53.58 40.38 62.55 Favored Glycine 0 CA--C 1.531 1.069 0 C-N-CA 124.054 0.835 . . . . 0.0 112.84 -175.785 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 17.1 m -152.36 146.84 25.66 Favored 'General case' 0 N--CA 1.455 -0.183 0 N-CA-C 107.803 -1.184 . . . . 0.0 107.803 -179.727 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 25' ' ' CYS . . . . . . . . . . . . 0.267 0.1 OUTLIER -94.75 92.88 7.2 Favored 'General case' 0 CA--C 1.534 0.336 0 CA-C-O 122.903 1.335 . . . . 0.0 108.023 173.209 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 7.6 m-85 -67.64 134.78 51.75 Favored 'General case' 0 N--CA 1.453 -0.314 0 C-N-CA 125.695 1.598 . . . . 0.0 107.641 177.367 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 26.7 m . . . . . 0 C--N 1.343 0.311 0 CA-C-N 118.89 0.768 . . . . 0.0 112.188 172.32 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 82.2 mt-30 . . . . . 0 CA--C 1.531 0.243 0 CA-C-O 121.158 0.504 . . . . 0.0 110.0 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 9.0 p -139.83 164.2 30.6 Favored 'General case' 0 N--CA 1.449 -0.486 0 C-N-CA 126.396 1.878 . . . . 0.0 108.729 -174.938 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 24.9 tt0 -101.44 -37.16 8.56 Favored 'General case' 0 N--CA 1.451 -0.398 0 C-N-CA 125.838 1.655 . . . . 0.0 109.452 169.591 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 1.8 p -154.19 172.87 16.91 Favored 'General case' 0 CA--C 1.511 -0.525 0 CA-C-O 122.057 0.932 . . . . 0.0 110.759 179.368 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 9.9 p -51.47 -35.38 16.52 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.691 0 CA-C-N 115.263 -0.88 . . . . 0.0 111.767 -176.65 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 99.2 mtt180 -51.12 -41.19 59.88 Favored 'General case' 0 CA--C 1.533 0.298 0 C-N-CA 125.436 1.495 . . . . 0.0 112.81 176.758 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 35.2 m-20 -56.06 -52.63 63.59 Favored 'General case' 0 N--CA 1.45 -0.452 0 N-CA-C 108.191 -1.04 . . . . 0.0 108.191 173.908 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 10' ' ' CYS . . . . . 0.409 ' HB3' ' CB ' ' A' ' 17' ' ' PRO . 0.1 OUTLIER -62.36 -33.13 74.12 Favored 'General case' 0 C--O 1.216 -0.684 0 C-N-CA 118.709 -1.197 . . . . 0.0 111.75 177.15 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 40.7 mt-30 -59.71 -28.28 67.19 Favored 'General case' 0 CA--C 1.534 0.347 0 CA-C-N 120.34 1.427 . . . . 0.0 110.798 -179.097 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 34.2 mt-30 -73.2 -44.93 58.97 Favored 'General case' 0 CA--C 1.533 0.32 0 O-C-N 122.011 -0.431 . . . . 0.0 110.027 170.719 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 23.1 t80 -64.2 -37.72 88.49 Favored 'General case' 0 CA--C 1.537 0.455 0 N-CA-C 114.023 1.12 . . . . 0.0 114.023 -176.714 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 19.8 m -141.62 138.86 32.87 Favored 'General case' 0 C--N 1.332 -0.182 0 C-N-CA 127.889 2.476 . . . . 0.0 108.075 -164.126 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -63.4 -44.8 93.61 Favored 'General case' 0 CA--C 1.535 0.397 0 N-CA-C 109.903 -0.406 . . . . 0.0 109.903 176.999 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 23.4 m -127.03 79.96 72.21 Favored Pre-proline 0 CA--C 1.536 0.425 0 C-N-CA 123.413 0.685 . . . . 0.0 111.902 -178.979 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 17' ' ' PRO . . . . . 0.409 ' CB ' ' HB3' ' A' ' 10' ' ' CYS . 6.9 Cg_endo -64.0 158.83 45.45 Favored 'Trans proline' 0 N--CA 1.434 -1.992 0 C-N-CA 122.117 1.878 . . . . 0.0 112.448 173.286 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 29.7 t0 -87.37 -61.43 1.72 Allowed 'General case' 0 N--CA 1.446 -0.636 0 N-CA-C 106.227 -1.768 . . . . 0.0 106.227 171.79 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -162.51 153.12 17.02 Favored 'General case' 0 N--CA 1.449 -0.484 0 N-CA-C 109.151 -0.685 . . . . 0.0 109.151 -177.007 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 52.6 t -83.76 111.46 19.19 Favored 'General case' 0 N--CA 1.454 -0.238 0 N-CA-C 105.498 -2.038 . . . . 0.0 105.498 146.359 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 3.1 m -159.56 153.57 23.34 Favored 'General case' 0 N--CA 1.45 -0.472 0 N-CA-C 108.256 -1.016 . . . . 0.0 108.256 -171.977 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 16.3 t80 50.83 37.73 17.9 Favored 'General case' 0 CA--C 1.539 0.538 0 CA-C-O 121.488 0.661 . . . . 0.0 111.487 -178.026 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 51.92 41.75 52.56 Favored Glycine 0 CA--C 1.532 1.103 0 C-N-CA 123.638 0.637 . . . . 0.0 112.238 -174.695 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 4.5 m -152.78 139.63 19.03 Favored 'General case' 0 N--CA 1.453 -0.276 0 O-C-N 121.484 -1.01 . . . . 0.0 108.468 -174.49 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 25' ' ' CYS . . . . . . . . . . . . 0.28 0.0 OUTLIER -92.48 90.75 7.31 Favored 'General case' 0 CA--C 1.535 0.403 0 CA-C-O 122.99 1.376 . . . . 0.0 108.305 176.318 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 66.5 m-85 -72.61 139.79 47.62 Favored 'General case' 0 N--CA 1.452 -0.347 0 C-N-CA 125.931 1.692 . . . . 0.0 108.972 178.852 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 20.6 m . . . . . 0 C--N 1.344 0.341 0 C-N-CA 123.748 0.819 . . . . 0.0 112.501 177.596 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 86.6 mt-30 . . . . . 0 CA--C 1.529 0.135 0 CA-C-O 121.098 0.475 . . . . 0.0 109.926 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 19.2 p -139.5 153.89 47.59 Favored 'General case' 0 N--CA 1.448 -0.568 0 C-N-CA 125.649 1.58 . . . . 0.0 109.156 -172.837 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 76.5 mt-30 -98.77 -31.67 11.76 Favored 'General case' 0 N--CA 1.449 -0.485 0 C-N-CA 125.404 1.482 . . . . 0.0 109.118 171.717 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 1.9 p -157.69 174.52 15.21 Favored 'General case' 0 CA--C 1.509 -0.616 0 CA-C-O 122.172 0.987 . . . . 0.0 110.435 179.085 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 9.3 p -51.55 -35.13 16.51 Favored 'Isoleucine or valine' 0 N--CA 1.443 -0.805 0 CA-C-N 114.881 -1.054 . . . . 0.0 111.422 -179.173 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 99.5 mtt180 -42.06 -50.16 4.7 Favored 'General case' 0 CA--C 1.534 0.343 0 C-N-CA 126.121 1.769 . . . . 0.0 112.574 172.256 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 33.1 m-20 -58.27 -51.32 70.28 Favored 'General case' 0 N--CA 1.447 -0.621 0 C-N-CA 124.092 0.957 . . . . 0.0 108.493 -179.692 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 10' ' ' CYS . . . . . 0.463 ' SG ' ' HB3' ' A' ' 17' ' ' PRO . 0.3 OUTLIER -60.67 -38.7 85.79 Favored 'General case' 0 C--O 1.22 -0.478 0 C-N-CA 118.604 -1.239 . . . . 0.0 111.087 176.015 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 41.3 mt-30 -58.1 -38.39 76.34 Favored 'General case' 0 N--CA 1.463 0.184 0 CA-C-N 119.663 1.12 . . . . 0.0 110.004 -179.074 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -60.08 -43.24 95.63 Favored 'General case' 0 CA--C 1.534 0.352 0 O-C-N 121.96 -0.462 . . . . 0.0 110.638 172.877 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 26.0 m-85 -80.14 -22.13 42.39 Favored 'General case' 0 CA--C 1.543 0.71 0 N-CA-C 114.782 1.401 . . . . 0.0 114.782 -176.695 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 24.4 m -150.06 135.85 18.48 Favored 'General case' 0 N--CA 1.463 0.199 0 C-N-CA 125.486 1.514 . . . . 0.0 109.205 -165.436 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 4.0 mm? -63.36 -42.03 98.87 Favored 'General case' 0 CA--C 1.533 0.307 0 CA-C-O 119.563 -0.256 . . . . 0.0 110.749 177.372 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 19.1 m -128.53 78.77 75.33 Favored Pre-proline 0 CA--C 1.535 0.403 0 C-N-CA 123.091 0.556 . . . . 0.0 111.91 -177.64 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 17' ' ' PRO . . . . . 0.463 ' HB3' ' SG ' ' A' ' 10' ' ' CYS . 1.5 Cg_endo -64.46 153.22 78.2 Favored 'Trans proline' 0 N--CA 1.433 -2.041 0 C-N-CA 120.849 1.032 . . . . 0.0 113.372 176.619 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 30.7 t0 -78.69 -60.67 2.28 Favored 'General case' 0 N--CA 1.447 -0.58 0 N-CA-C 106.314 -1.735 . . . . 0.0 106.314 169.526 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 1.2 ptt85 -162.21 160.75 27.39 Favored 'General case' 0 N--CA 1.451 -0.382 0 N-CA-C 108.553 -0.906 . . . . 0.0 108.553 -177.756 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 43.3 t -89.0 118.15 28.52 Favored 'General case' 0 N--CA 1.454 -0.263 0 N-CA-C 105.25 -2.13 . . . . 0.0 105.25 143.453 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 2.1 m -158.64 144.99 17.08 Favored 'General case' 0 N--CA 1.45 -0.451 0 CA-C-N 118.837 0.744 . . . . 0.0 108.998 -171.601 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 94.8 m-85 49.29 43.77 23.15 Favored 'General case' 0 CA--C 1.537 0.452 0 C-N-CA 123.501 0.72 . . . . 0.0 111.309 -173.857 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 53.95 22.46 19.94 Favored Glycine 0 CA--C 1.532 1.142 0 C-N-CA 123.97 0.795 . . . . 0.0 113.538 -177.991 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 60.9 m -128.08 136.47 51.25 Favored 'General case' 0 N--CA 1.451 -0.415 0 C-N-CA 126.154 1.782 . . . . 0.0 107.035 -173.592 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -88.31 116.5 26.56 Favored 'General case' 0 CA--C 1.534 0.339 0 N-CA-C 107.033 -1.469 . . . . 0.0 107.033 170.758 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 48.9 m-85 -103.05 138.49 39.83 Favored 'General case' 0 N--CA 1.452 -0.355 0 C-N-CA 126.938 2.095 . . . . 0.0 107.321 -177.98 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 27.3 m . . . . . 0 C--N 1.343 0.293 0 CA-C-N 118.851 0.75 . . . . 0.0 112.649 -178.478 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 81.3 mt-30 . . . . . 0 CA--C 1.531 0.238 0 CA-C-O 121.143 0.497 . . . . 0.0 109.994 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 9.5 p -154.81 170.11 22.39 Favored 'General case' 0 N--CA 1.445 -0.694 0 C-N-CA 126.46 1.904 . . . . 0.0 107.556 -174.8 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 6.8 tt0 -107.26 -34.92 6.96 Favored 'General case' 0 N--CA 1.451 -0.391 0 C-N-CA 127.098 2.159 . . . . 0.0 109.81 169.333 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 25.3 m -157.48 161.13 38.86 Favored 'General case' 0 C--O 1.224 -0.269 0 O-C-N 121.476 -0.765 . . . . 0.0 109.397 -175.491 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 9.2 p -52.24 -33.3 16.85 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.558 0 O-C-N 121.204 -0.935 . . . . 0.0 112.528 -174.447 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -27.18 -51.31 0.06 Allowed 'General case' 0 CA--C 1.536 0.424 0 C-N-CA 127.932 2.493 . . . . 0.0 112.912 162.197 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 69.3 m-20 -71.85 -49.97 33.64 Favored 'General case' 0 N--CA 1.445 -0.691 0 C-N-CA 126.85 2.06 . . . . 0.0 108.962 -173.744 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 10' ' ' CYS . . . . . 0.412 ' SG ' ' HB3' ' A' ' 17' ' ' PRO . 0.2 OUTLIER -58.7 -31.19 68.02 Favored 'General case' 0 C--O 1.219 -0.539 0 C-N-CA 118.156 -1.417 . . . . 0.0 110.781 173.667 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 41.4 mt-30 -63.54 -15.36 57.76 Favored 'General case' 0 CA--C 1.54 0.572 0 CA-C-N 120.34 1.427 . . . . 0.0 112.05 179.87 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 33.9 mt-30 -80.14 -49.1 12.17 Favored 'General case' 0 C--N 1.342 0.28 0 CA-C-N 119.233 0.924 . . . . 0.0 110.007 162.776 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 23.7 t80 -62.42 -37.8 87.23 Favored 'General case' 0 CA--C 1.538 0.493 0 N-CA-C 113.783 1.031 . . . . 0.0 113.783 -170.249 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 16.8 m -136.52 143.83 43.94 Favored 'General case' 0 C--N 1.331 -0.209 0 C-N-CA 127.653 2.381 . . . . 0.0 108.303 -168.341 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -63.16 -47.89 80.73 Favored 'General case' 0 CA--C 1.535 0.372 0 N-CA-C 109.186 -0.672 . . . . 0.0 109.186 174.677 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 6.8 m -126.93 78.13 74.21 Favored Pre-proline 0 CA--C 1.533 0.321 0 C-N-CA 123.412 0.685 . . . . 0.0 111.691 -175.728 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 17' ' ' PRO . . . . . 0.412 ' HB3' ' SG ' ' A' ' 10' ' ' CYS . 5.3 Cg_endo -64.81 158.95 48.09 Favored 'Trans proline' 0 N--CA 1.434 -1.975 0 C-N-CA 121.667 1.578 . . . . 0.0 112.821 176.244 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 28.5 t0 -89.32 -61.89 1.6 Allowed 'General case' 0 N--CA 1.447 -0.586 0 N-CA-C 106.13 -1.804 . . . . 0.0 106.13 172.445 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 1.3 ptt85 -163.44 152.93 14.88 Favored 'General case' 0 N--CA 1.45 -0.463 0 N-CA-C 108.77 -0.826 . . . . 0.0 108.77 -177.862 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 45.3 t -80.78 110.93 16.76 Favored 'General case' 0 N--CA 1.454 -0.268 0 N-CA-C 105.657 -1.979 . . . . 0.0 105.657 147.12 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 2.8 m -158.51 145.5 17.6 Favored 'General case' 0 N--CA 1.448 -0.547 0 N-CA-C 108.323 -0.991 . . . . 0.0 108.323 -173.261 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 23.5 t80 54.77 40.23 31.82 Favored 'General case' 0 CA--C 1.539 0.524 0 CA-C-O 121.349 0.595 . . . . 0.0 110.948 -178.849 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 59.73 10.93 14.4 Favored Glycine 0 CA--C 1.537 1.458 0 C-N-CA 124.364 0.983 . . . . 0.0 114.294 -177.231 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 39.7 m -120.81 134.91 55.28 Favored 'General case' 0 N--CA 1.45 -0.452 0 C-N-CA 126.194 1.798 . . . . 0.0 107.572 -170.876 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 25' ' ' CYS . . . . . . . . . . . . 0.296 0.1 OUTLIER -88.68 85.37 6.78 Favored 'General case' 0 CA--C 1.534 0.358 0 CA-C-O 123.165 1.459 . . . . 0.0 107.313 171.402 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 58.2 m-85 -65.21 141.31 58.69 Favored 'General case' 0 N--CA 1.454 -0.246 0 C-N-CA 125.614 1.565 . . . . 0.0 108.637 179.388 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 28.2 m . . . . . 0 C--N 1.345 0.371 0 N-CA-C 113.517 0.932 . . . . 0.0 113.517 -179.659 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 87.4 mt-30 . . . . . 0 CA--C 1.528 0.128 0 N-CA-C 109.946 -0.39 . . . . 0.0 109.946 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 6.6 p -131.03 142.78 50.35 Favored 'General case' 0 CA--C 1.514 -0.419 0 C-N-CA 125.201 1.4 . . . . 0.0 109.892 -169.781 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 31.9 mt-30 -75.95 -32.44 59.55 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.056 -0.974 . . . . 0.0 110.041 175.8 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 4.4 m -173.9 170.68 3.84 Favored 'General case' 0 N--CA 1.457 -0.11 0 C-N-CA 126.287 1.835 . . . . 0.0 106.721 -173.308 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 8.5 p -48.57 -37.92 8.81 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.373 0 C-N-CA 123.744 0.818 . . . . 0.0 112.382 -177.476 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 2.1 mpt_? -43.76 -44.32 6.61 Favored 'General case' 0 CA--C 1.533 0.289 0 C-N-CA 124.761 1.224 . . . . 0.0 112.112 173.66 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -64.19 -45.55 87.85 Favored 'General case' 0 N--CA 1.45 -0.437 0 O-C-N 121.835 -0.541 . . . . 0.0 109.84 -179.663 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 10' ' ' CYS . . . . . 0.429 ' SG ' ' HB3' ' A' ' 17' ' ' PRO . 0.5 OUTLIER -60.73 -35.18 75.71 Favored 'General case' 0 C--O 1.219 -0.517 0 C-N-CA 117.745 -1.582 . . . . 0.0 110.64 172.049 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 40.8 mt-30 -60.17 -35.01 74.39 Favored 'General case' 0 CA--C 1.534 0.334 0 CA-C-N 120.016 1.28 . . . . 0.0 110.35 178.72 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 31.5 mt-30 -57.61 -44.84 85.77 Favored 'General case' 0 CA--C 1.537 0.448 0 O-C-N 121.797 -0.564 . . . . 0.0 110.017 169.325 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 2.8 t80 -73.98 -33.2 63.75 Favored 'General case' 0 CA--C 1.54 0.563 0 C-N-CA 124.857 1.263 . . . . 0.0 114.121 -173.382 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 23.2 m -147.75 139.43 23.91 Favored 'General case' 0 C--O 1.225 -0.196 0 C-N-CA 126.001 1.72 . . . . 0.0 109.178 -159.716 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -59.66 -49.58 77.2 Favored 'General case' 0 CA--C 1.535 0.391 0 N-CA-C 109.771 -0.455 . . . . 0.0 109.771 176.251 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 5.7 m -128.75 77.48 77.53 Favored Pre-proline 0 CA--C 1.534 0.363 0 C-N-CA 123.271 0.628 . . . . 0.0 112.057 -174.498 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 17' ' ' PRO . . . . . 0.429 ' HB3' ' SG ' ' A' ' 10' ' ' CYS . 1.0 OUTLIER -62.56 147.84 94.22 Favored 'Trans proline' 0 N--CA 1.436 -1.854 0 C-N-CA 121.884 1.723 . . . . 0.0 112.353 176.651 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 25.1 t0 -71.79 -57.91 3.93 Favored 'General case' 0 N--CA 1.449 -0.494 0 N-CA-C 106.505 -1.665 . . . . 0.0 106.505 169.493 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -161.96 162.0 28.84 Favored 'General case' 0 N--CA 1.452 -0.36 0 N-CA-C 109.15 -0.685 . . . . 0.0 109.15 -177.368 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 54.0 t -92.99 120.05 32.89 Favored 'General case' 0 N--CA 1.456 -0.171 0 N-CA-C 104.886 -2.265 . . . . 0.0 104.886 141.589 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 2.2 m -161.12 143.81 12.53 Favored 'General case' 0 N--CA 1.451 -0.396 0 N-CA-C 108.271 -1.011 . . . . 0.0 108.271 -170.439 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 48.4 t80 51.17 43.09 29.33 Favored 'General case' 0 CA--C 1.538 0.502 0 CA-C-O 121.476 0.655 . . . . 0.0 110.921 -175.875 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 54.24 21.78 19.98 Favored Glycine 0 CA--C 1.534 1.23 0 C-N-CA 124.152 0.882 . . . . 0.0 113.85 -177.731 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 63.8 m -128.39 136.4 50.84 Favored 'General case' 0 N--CA 1.452 -0.357 0 C-N-CA 125.962 1.705 . . . . 0.0 107.133 -172.737 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -92.21 117.43 29.87 Favored 'General case' 0 CA--C 1.53 0.194 0 N-CA-C 107.151 -1.426 . . . . 0.0 107.151 172.86 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 50.5 m-85 -109.13 138.86 44.82 Favored 'General case' 0 N--CA 1.452 -0.338 0 C-N-CA 127.016 2.126 . . . . 0.0 107.583 -172.914 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 22.3 m . . . . . 0 C--N 1.343 0.286 0 C-N-CA 123.731 0.813 . . . . 0.0 112.333 -176.566 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 80.4 mt-30 . . . . . 0 CA--C 1.529 0.16 0 N-CA-C 109.32 -0.622 . . . . 0.0 109.32 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 4.6 p -132.72 154.44 50.19 Favored 'General case' 0 N--CA 1.448 -0.541 0 C-N-CA 126.198 1.799 . . . . 0.0 109.73 -173.664 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 7.4 tt0 -79.26 -42.78 25.09 Favored 'General case' 0 CA--C 1.532 0.271 0 C-N-CA 124.976 1.31 . . . . 0.0 110.323 165.717 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 20.7 m -166.61 175.11 8.2 Favored 'General case' 0 CA--C 1.53 0.209 0 C-N-CA 126.023 1.729 . . . . 0.0 107.147 -173.523 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 8.5 p -54.84 -35.83 35.14 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.498 0 CA-C-N 118.998 0.817 . . . . 0.0 112.312 -177.274 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 3.7 mpt_? -51.51 -34.79 37.63 Favored 'General case' 0 CA--C 1.533 0.306 0 C-N-CA 123.842 0.857 . . . . 0.0 112.025 172.876 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -63.37 -53.57 50.35 Favored 'General case' 0 N--CA 1.453 -0.284 0 N-CA-C 108.384 -0.969 . . . . 0.0 108.384 173.987 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 10' ' ' CYS . . . . . 0.454 ' SG ' ' HB3' ' A' ' 17' ' ' PRO . 0.5 OUTLIER -55.67 -33.28 63.97 Favored 'General case' 0 C--O 1.221 -0.431 0 C-N-CA 117.924 -1.511 . . . . 0.0 111.478 178.455 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 38.1 mt-30 -56.38 -31.48 63.88 Favored 'General case' 0 CA--C 1.539 0.547 0 CA-C-N 119.189 0.904 . . . . 0.0 112.133 178.778 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 11.2 pt20 -79.04 -34.72 43.58 Favored 'General case' 0 N--CA 1.445 -0.719 0 CA-C-N 120.046 1.294 . . . . 0.0 111.249 172.318 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 77.5 m-85 -69.58 -30.69 68.53 Favored 'General case' 0 CA--C 1.543 0.681 0 N-CA-C 113.816 1.043 . . . . 0.0 113.816 176.76 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 18.4 m -147.46 138.34 23.53 Favored 'General case' 0 N--CA 1.463 0.176 0 C-N-CA 125.197 1.399 . . . . 0.0 109.607 -161.383 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 5.6 mp -69.72 -23.96 63.49 Favored 'General case' 0 CA--C 1.533 0.326 0 C-N-CA 122.753 0.421 . . . . 0.0 111.958 177.815 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 11.7 m -148.09 75.83 10.57 Favored Pre-proline 0 C--O 1.236 0.35 0 O-C-N 121.242 -0.911 . . . . 0.0 111.482 178.353 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 17' ' ' PRO . . . . . 0.454 ' HB3' ' SG ' ' A' ' 10' ' ' CYS . 4.8 Cg_endo -64.06 153.15 77.73 Favored 'Trans proline' 0 N--CA 1.432 -2.116 0 C-N-CA 122.148 1.899 . . . . 0.0 112.17 177.082 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 28.8 t0 -83.08 -61.45 1.85 Allowed 'General case' 0 N--CA 1.445 -0.709 0 N-CA-C 106.677 -1.601 . . . . 0.0 106.677 169.946 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 1.4 ptt85 -163.06 153.1 15.89 Favored 'General case' 0 N--CA 1.45 -0.472 0 N-CA-C 109.272 -0.64 . . . . 0.0 109.272 -176.867 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 43.2 t -81.29 109.46 15.82 Favored 'General case' 0 N--CA 1.453 -0.282 0 N-CA-C 105.591 -2.003 . . . . 0.0 105.591 147.335 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 2.8 m -155.75 141.93 18.36 Favored 'General case' 0 N--CA 1.447 -0.586 0 N-CA-C 108.894 -0.78 . . . . 0.0 108.894 -172.975 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 16.7 t80 52.04 43.13 30.66 Favored 'General case' 0 CA--C 1.538 0.516 0 CA-C-O 121.549 0.69 . . . . 0.0 110.787 -175.428 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 59.5 9.62 9.52 Favored Glycine 0 CA--C 1.536 1.356 0 C-N-CA 124.465 1.031 . . . . 0.0 114.483 -178.005 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 33.3 m -116.36 132.14 56.75 Favored 'General case' 0 N--CA 1.448 -0.534 0 C-N-CA 126.031 1.732 . . . . 0.0 107.322 -172.316 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 25' ' ' CYS . . . . . . . . . . . . 0.282 0.0 OUTLIER -87.16 85.49 7.21 Favored 'General case' 0 CA--C 1.533 0.313 0 CA-C-O 123.245 1.498 . . . . 0.0 107.107 172.506 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 56.2 m-85 -64.84 136.63 57.09 Favored 'General case' 0 N--CA 1.451 -0.401 0 C-N-CA 125.124 1.37 . . . . 0.0 108.652 178.48 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 11.6 m . . . . . 0 CA--C 1.518 -0.286 0 C-N-CA 124.361 1.064 . . . . 0.0 110.476 175.887 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 79.4 mt-30 . . . . . 0 N--CA 1.463 0.175 0 CA-C-O 120.732 0.301 . . . . 0.0 110.264 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 23.4 p -157.18 167.01 31.63 Favored 'General case' 0 N--CA 1.449 -0.487 0 C-N-CA 124.776 1.23 . . . . 0.0 108.684 -172.502 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 38.8 mt-30 -115.01 -26.59 7.67 Favored 'General case' 0 N--CA 1.451 -0.376 0 C-N-CA 126.051 1.74 . . . . 0.0 110.983 169.694 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 14.2 m -160.64 156.42 25.55 Favored 'General case' 0 C--O 1.224 -0.239 0 CA-C-N 119.522 1.055 . . . . 0.0 108.684 -175.748 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 8.5 p -46.18 -37.86 3.02 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.419 0 N-CA-C 113.639 0.977 . . . . 0.0 113.639 -171.512 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 94.6 mtt-85 -45.14 -43.34 9.8 Favored 'General case' 0 CA--C 1.533 0.32 0 C-N-CA 125.049 1.339 . . . . 0.0 113.105 175.232 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 69.2 m-20 -54.25 -53.88 47.69 Favored 'General case' 0 N--CA 1.447 -0.608 0 C-N-CA 124.213 1.005 . . . . 0.0 108.449 175.545 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 10' ' ' CYS . . . . . 0.436 ' SG ' ' HB3' ' A' ' 17' ' ' PRO . 0.5 OUTLIER -64.32 -32.9 74.68 Favored 'General case' 0 C--O 1.216 -0.66 0 C-N-CA 118.629 -1.228 . . . . 0.0 111.66 176.563 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 43.7 mt-30 -59.13 -33.52 70.97 Favored 'General case' 0 N--CA 1.465 0.313 0 CA-C-N 120.705 1.593 . . . . 0.0 110.204 -179.785 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -65.87 -42.66 90.06 Favored 'General case' 0 CA--C 1.536 0.405 0 O-C-N 121.988 -0.445 . . . . 0.0 110.289 170.459 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 7.1 t80 -71.41 -35.21 70.91 Favored 'General case' 0 CA--C 1.542 0.652 0 N-CA-C 114.921 1.452 . . . . 0.0 114.921 -174.494 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 6.6 m -143.61 146.48 33.32 Favored 'General case' 0 N--CA 1.465 0.321 0 C-N-CA 126.718 2.007 . . . . 0.0 109.761 -161.236 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -64.1 -54.0 40.83 Favored 'General case' 0 CA--C 1.533 0.32 0 N-CA-C 109.878 -0.416 . . . . 0.0 109.878 178.885 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 20.2 m -127.41 82.98 67.23 Favored Pre-proline 0 C--N 1.342 0.251 0 CA-C-N 117.944 0.338 . . . . 0.0 110.842 179.803 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 17' ' ' PRO . . . . . 0.436 ' HB3' ' SG ' ' A' ' 10' ' ' CYS . 2.2 Cg_endo -60.93 143.03 99.26 Favored 'Trans proline' 0 N--CA 1.434 -1.998 0 C-N-CA 121.372 1.382 . . . . 0.0 112.462 175.949 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 22.7 t0 -70.27 -58.64 3.54 Favored 'General case' 0 N--CA 1.449 -0.5 0 N-CA-C 106.358 -1.719 . . . . 0.0 106.358 170.286 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -163.84 154.69 15.85 Favored 'General case' 0 N--CA 1.45 -0.475 0 N-CA-C 108.867 -0.79 . . . . 0.0 108.867 -177.193 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 51.0 t -83.0 116.37 22.24 Favored 'General case' 0 N--CA 1.454 -0.26 0 N-CA-C 105.58 -2.007 . . . . 0.0 105.58 143.774 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 2.2 m -160.35 144.18 13.96 Favored 'General case' 0 N--CA 1.45 -0.466 0 N-CA-C 107.73 -1.211 . . . . 0.0 107.73 -174.054 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 29.9 t80 55.76 36.87 28.08 Favored 'General case' 0 CA--C 1.539 0.557 0 CA-C-N 118.481 0.582 . . . . 0.0 110.854 -176.125 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 54.38 19.42 12.56 Favored Glycine 0 CA--C 1.535 1.298 0 C-N-CA 124.467 1.032 . . . . 0.0 113.759 -175.159 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 60.8 m -122.23 134.75 54.69 Favored 'General case' 0 N--CA 1.45 -0.472 0 C-N-CA 126.817 2.047 . . . . 0.0 106.709 -173.456 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 25' ' ' CYS . . . . . . . . . . . . 0.256 0.0 OUTLIER -92.78 91.78 7.64 Favored 'General case' 0 CA--C 1.535 0.392 0 N-CA-C 107.351 -1.351 . . . . 0.0 107.351 176.625 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 52.0 m-85 -78.47 140.54 38.61 Favored 'General case' 0 N--CA 1.454 -0.255 0 C-N-CA 126.003 1.721 . . . . 0.0 108.843 -177.289 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 33.7 m . . . . . 0 C--N 1.346 0.415 0 N-CA-C 115.342 1.608 . . . . 0.0 115.342 -173.557 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 74.0 mt-30 . . . . . 0 N--CA 1.464 0.268 0 CA-C-O 121.379 0.609 . . . . 0.0 110.625 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 25.2 p -149.94 158.5 44.23 Favored 'General case' 0 N--CA 1.444 -0.763 0 C-N-CA 125.639 1.576 . . . . 0.0 107.519 -176.676 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 77.0 mt-30 -121.83 -5.57 9.1 Favored 'General case' 0 C--N 1.325 -0.478 0 C-N-CA 124.732 1.213 . . . . 0.0 110.86 173.286 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 12.8 m -162.86 156.54 20.22 Favored 'General case' 0 C--O 1.224 -0.277 0 N-CA-C 107.819 -1.178 . . . . 0.0 107.819 176.818 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 10.9 p -52.22 -29.74 12.63 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.661 0 O-C-N 121.029 -1.044 . . . . 0.0 112.025 175.904 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 99.2 mtt180 -38.07 -53.5 1.39 Allowed 'General case' 0 CA--C 1.534 0.335 0 C-N-CA 125.873 1.669 . . . . 0.0 112.159 167.013 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 48.3 m-20 -57.39 -57.15 13.91 Favored 'General case' 0 N--CA 1.448 -0.562 0 C-N-CA 124.983 1.313 . . . . 0.0 108.686 -177.712 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 10' ' ' CYS . . . . . 0.439 ' SG ' ' HB3' ' A' ' 17' ' ' PRO . 0.5 OUTLIER -59.63 -34.9 73.38 Favored 'General case' 0 C--O 1.219 -0.522 0 C-N-CA 118.66 -1.216 . . . . 0.0 111.337 -179.644 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 33.6 mt-30 -60.8 -22.64 64.35 Favored 'General case' 0 CA--C 1.535 0.402 0 CA-C-N 119.486 1.039 . . . . 0.0 111.392 -179.206 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 31.3 mt-30 -78.1 -44.72 25.36 Favored 'General case' 0 CA--C 1.532 0.267 0 CA-C-N 118.492 0.587 . . . . 0.0 110.158 169.196 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 53.4 m-85 -73.27 -20.76 60.76 Favored 'General case' 0 CA--C 1.542 0.639 0 N-CA-C 114.374 1.25 . . . . 0.0 114.374 -176.045 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 19.7 m -149.94 140.09 22.13 Favored 'General case' 0 C--O 1.226 -0.177 0 C-N-CA 125.732 1.613 . . . . 0.0 108.301 -168.792 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -64.09 -47.97 77.99 Favored 'General case' 0 CA--C 1.533 0.319 0 N-CA-C 109.662 -0.496 . . . . 0.0 109.662 177.591 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 20.4 m -126.61 79.93 70.75 Favored Pre-proline 0 CA--C 1.536 0.406 0 C-N-CA 123.363 0.665 . . . . 0.0 111.736 -178.653 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 17' ' ' PRO . . . . . 0.439 ' HB3' ' SG ' ' A' ' 10' ' ' CYS . 4.1 Cg_endo -62.35 150.78 85.94 Favored 'Trans proline' 0 N--CA 1.434 -2.025 0 C-N-CA 122.194 1.929 . . . . 0.0 112.639 174.495 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 24.2 t0 -79.34 -58.42 3.22 Favored 'General case' 0 N--CA 1.444 -0.737 0 N-CA-C 106.6 -1.629 . . . . 0.0 106.6 172.35 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -163.76 153.96 15.27 Favored 'General case' 0 N--CA 1.447 -0.622 0 N-CA-C 108.469 -0.937 . . . . 0.0 108.469 -178.237 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 52.9 t -84.64 112.33 20.36 Favored 'General case' 0 N--CA 1.452 -0.37 0 N-CA-C 105.449 -2.056 . . . . 0.0 105.449 146.363 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 2.9 m -160.28 147.76 16.26 Favored 'General case' 0 N--CA 1.452 -0.336 0 N-CA-C 108.65 -0.87 . . . . 0.0 108.65 -171.547 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 42.4 t80 52.68 39.96 29.39 Favored 'General case' 0 CA--C 1.538 0.51 0 CA-C-O 121.518 0.675 . . . . 0.0 110.915 -176.245 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 53.24 23.12 16.46 Favored Glycine 0 CA--C 1.535 1.315 0 C-N-CA 124.333 0.968 . . . . 0.0 114.016 -176.247 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 63.1 m -128.04 137.04 52.03 Favored 'General case' 0 N--CA 1.45 -0.446 0 C-N-CA 126.523 1.929 . . . . 0.0 107.199 -172.945 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -91.87 93.37 8.79 Favored 'General case' 0 CA--C 1.535 0.392 0 N-CA-C 107.404 -1.332 . . . . 0.0 107.404 173.23 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 56.4 m-85 -78.84 142.21 37.06 Favored 'General case' 0 C--O 1.233 0.198 0 C-N-CA 125.561 1.544 . . . . 0.0 108.642 -178.818 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 23.3 m . . . . . 0 C--N 1.344 0.367 0 C-N-CA 123.934 0.894 . . . . 0.0 112.907 -177.873 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 83.8 mt-30 . . . . . 0 CA--C 1.531 0.232 0 CA-C-O 120.816 0.341 . . . . 0.0 110.606 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 15.1 p -143.18 168.43 19.77 Favored 'General case' 0 N--CA 1.451 -0.393 0 C-N-CA 126.27 1.828 . . . . 0.0 109.243 -175.359 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 38.1 mt-30 -105.8 -36.66 6.96 Favored 'General case' 0 CA--C 1.534 0.35 0 C-N-CA 126.659 1.984 . . . . 0.0 109.828 166.271 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 1.2 p -152.72 172.59 16.44 Favored 'General case' 0 CA--C 1.514 -0.436 0 CA-C-O 122.019 0.914 . . . . 0.0 111.382 -177.306 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 6.2 p -54.86 -37.98 42.97 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.603 0 CA-C-N 115.641 -0.708 . . . . 0.0 111.295 -176.12 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 3.5 tmt_? -35.59 -44.76 0.33 Allowed 'General case' 0 N--CA 1.452 -0.374 0 C-N-CA 128.272 2.629 . . . . 0.0 113.525 167.168 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 74.1 m-20 -70.28 -52.55 22.06 Favored 'General case' 0 N--CA 1.445 -0.71 0 N-CA-C 107.969 -1.123 . . . . 0.0 107.969 -178.21 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 10' ' ' CYS . . . . . 0.444 ' SG ' ' HB3' ' A' ' 17' ' ' PRO . 0.3 OUTLIER -57.08 -34.68 68.53 Favored 'General case' 0 C--O 1.219 -0.548 0 C-N-CA 118.794 -1.162 . . . . 0.0 111.815 176.933 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 84.6 mt-30 -58.56 -19.57 39.12 Favored 'General case' 0 CA--C 1.537 0.481 0 CA-C-N 119.195 0.907 . . . . 0.0 111.857 179.705 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 31.4 mt-30 -87.36 -43.84 11.82 Favored 'General case' 0 CA--C 1.535 0.367 0 C-N-CA 123.278 0.631 . . . . 0.0 110.071 171.236 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 89.2 m-85 -66.8 -28.22 68.2 Favored 'General case' 0 CA--C 1.543 0.705 0 N-CA-C 113.558 0.947 . . . . 0.0 113.558 179.994 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 19.1 m -146.42 140.86 26.61 Favored 'General case' 0 CA--C 1.52 -0.19 0 C-N-CA 126.245 1.818 . . . . 0.0 108.767 -165.647 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -63.49 -46.79 84.51 Favored 'General case' 0 CA--C 1.534 0.363 0 N-CA-C 109.395 -0.594 . . . . 0.0 109.395 175.355 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 6.9 m -127.4 74.64 77.61 Favored Pre-proline 0 CA--C 1.536 0.421 0 C-N-CA 123.143 0.577 . . . . 0.0 112.367 -173.295 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 17' ' ' PRO . . . . . 0.444 ' HB3' ' SG ' ' A' ' 10' ' ' CYS . 2.8 Cg_endo -64.39 153.57 76.16 Favored 'Trans proline' 0 N--CA 1.435 -1.959 0 C-N-CA 121.554 1.503 . . . . 0.0 113.491 179.706 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 38.2 t0 -80.61 -65.3 1.03 Allowed 'General case' 0 N--CA 1.445 -0.715 0 N-CA-C 106.06 -1.83 . . . . 0.0 106.06 171.156 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -161.01 153.06 19.93 Favored 'General case' 0 N--CA 1.449 -0.522 0 C-N-CA 124.401 1.08 . . . . 0.0 108.581 -176.502 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 52.7 t -83.49 111.01 18.68 Favored 'General case' 0 N--CA 1.453 -0.299 0 N-CA-C 105.662 -1.977 . . . . 0.0 105.662 147.805 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 3.1 m -159.65 153.02 22.3 Favored 'General case' 0 N--CA 1.45 -0.446 0 C-N-CA 123.915 0.886 . . . . 0.0 108.741 -171.595 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 27.6 t80 49.0 40.73 17.7 Favored 'General case' 0 CA--C 1.539 0.552 0 C-N-CA 123.712 0.805 . . . . 0.0 111.964 179.949 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 52.41 42.33 56.78 Favored Glycine 0 CA--C 1.532 1.11 0 C-N-CA 123.232 0.444 . . . . 0.0 112.103 -175.992 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 7.2 m -153.24 138.4 17.39 Favored 'General case' 0 N--CA 1.453 -0.308 0 N-CA-C 107.996 -1.113 . . . . 0.0 107.996 -176.789 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 25' ' ' CYS . . . . . . . . . . . . 0.264 0.0 OUTLIER -90.68 88.14 6.98 Favored 'General case' 0 CA--C 1.533 0.315 0 CA-C-O 123.24 1.495 . . . . 0.0 107.093 172.566 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 61.7 m-85 -69.65 139.99 53.6 Favored 'General case' 0 N--CA 1.451 -0.387 0 C-N-CA 125.287 1.435 . . . . 0.0 108.332 178.998 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 21.9 m . . . . . 0 C--N 1.342 0.269 0 C-N-CA 123.657 0.783 . . . . 0.0 112.421 -179.523 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 75.0 mt-30 . . . . . 0 CA--C 1.531 0.24 0 N-CA-C 109.031 -0.729 . . . . 0.0 109.031 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 13.7 p -143.23 166.35 24.94 Favored 'General case' 0 N--CA 1.45 -0.462 0 C-N-CA 126.367 1.867 . . . . 0.0 108.326 179.796 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 4.3 tt0 -100.99 -41.68 6.7 Favored 'General case' 0 N--CA 1.45 -0.464 0 C-N-CA 125.815 1.646 . . . . 0.0 109.319 165.983 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -148.86 161.28 42.15 Favored 'General case' 0 C--O 1.223 -0.335 0 C-N-CA 123.602 0.761 . . . . 0.0 109.04 -165.931 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 10.0 p -52.89 -34.12 19.99 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.566 0 O-C-N 121.087 -1.008 . . . . 0.0 112.164 -178.514 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 72.0 mtt85 -49.5 -39.08 32.68 Favored 'General case' 0 CA--C 1.532 0.282 0 C-N-CA 124.444 1.097 . . . . 0.0 113.139 174.105 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 45.4 m-20 -57.21 -51.47 69.21 Favored 'General case' 0 N--CA 1.449 -0.495 0 N-CA-C 108.097 -1.075 . . . . 0.0 108.097 174.229 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -60.71 -34.8 74.93 Favored 'General case' 0 C--O 1.217 -0.644 0 C-N-CA 119.294 -0.962 . . . . 0.0 112.209 175.66 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 38.4 mt-30 -58.64 -24.33 60.92 Favored 'General case' 0 CA--C 1.537 0.448 0 CA-C-N 120.283 1.402 . . . . 0.0 111.551 179.678 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 32.2 mt-30 -77.31 -46.66 22.25 Favored 'General case' 0 CA--C 1.534 0.33 0 CA-C-N 118.281 0.492 . . . . 0.0 109.765 170.144 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 27.8 t80 -64.53 -39.07 93.09 Favored 'General case' 0 CA--C 1.536 0.405 0 N-CA-C 113.776 1.028 . . . . 0.0 113.776 -173.868 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 15.6 m -135.44 142.1 45.52 Favored 'General case' 0 CA--C 1.521 -0.17 0 C-N-CA 127.231 2.212 . . . . 0.0 108.542 -166.369 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 3.8 mm? -77.09 -15.72 59.47 Favored 'General case' 0 CA--C 1.532 0.275 0 C-N-CA 123.205 0.602 . . . . 0.0 110.648 175.468 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 6.3 m -148.29 72.16 10.98 Favored Pre-proline 0 CA--C 1.537 0.464 0 O-C-N 121.157 -0.964 . . . . 0.0 112.384 178.626 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 5.9 Cg_endo -67.65 172.99 9.63 Favored 'Trans proline' 0 N--CA 1.436 -1.88 0 C-N-CA 121.258 1.305 . . . . 0.0 114.488 -178.772 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 7.5 t70 -111.74 -67.38 1.0 Allowed 'General case' 0 N--CA 1.445 -0.724 0 CA-C-N 113.947 -1.479 . . . . 0.0 109.66 173.2 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 5.2 ptt180 -155.36 144.18 20.63 Favored 'General case' 0 N--CA 1.436 -1.138 0 N-CA-C 109.555 -0.535 . . . . 0.0 109.555 -177.051 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 54.1 t -80.26 108.22 13.69 Favored 'General case' 0 N--CA 1.45 -0.457 0 N-CA-C 105.686 -1.968 . . . . 0.0 105.686 152.019 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 3.1 m -157.92 142.48 16.28 Favored 'General case' 0 N--CA 1.451 -0.393 0 N-CA-C 108.963 -0.755 . . . . 0.0 108.963 -170.528 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 98.1 m-85 50.32 33.53 7.62 Favored 'General case' 0 CA--C 1.537 0.475 0 C-N-CA 123.792 0.837 . . . . 0.0 111.355 -168.465 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 66.63 11.78 57.81 Favored Glycine 0 CA--C 1.536 1.372 0 CA-C-O 119.447 -0.64 . . . . 0.0 113.992 -179.712 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 53.0 m -116.22 135.9 53.49 Favored 'General case' 0 N--CA 1.453 -0.302 0 C-N-CA 126.315 1.846 . . . . 0.0 108.056 179.33 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 25' ' ' CYS . . . . . . . . . . . . 0.283 0.1 OUTLIER -88.6 86.61 7.04 Favored 'General case' 0 CA--C 1.534 0.355 0 CA-C-O 123.399 1.571 . . . . 0.0 108.344 174.114 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 63.4 m-85 -61.33 138.04 58.24 Favored 'General case' 0 N--CA 1.453 -0.292 0 C-N-CA 125.373 1.469 . . . . 0.0 109.135 174.421 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 14.3 m . . . . . 0 CA--C 1.518 -0.269 0 C-N-CA 123.703 0.801 . . . . 0.0 111.691 174.997 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 81.6 mt-30 . . . . . 0 N--CA 1.463 0.201 0 N-CA-C 109.75 -0.463 . . . . 0.0 109.75 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 12.1 p -150.9 168.29 24.95 Favored 'General case' 0 N--CA 1.449 -0.494 0 C-N-CA 125.1 1.36 . . . . 0.0 108.852 -174.958 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 7.5 tt0 -104.34 -39.51 6.44 Favored 'General case' 0 N--CA 1.45 -0.462 0 C-N-CA 127.062 2.145 . . . . 0.0 109.223 166.402 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 1.5 p -153.08 175.14 13.33 Favored 'General case' 0 CA--C 1.514 -0.433 0 CA-C-O 121.852 0.834 . . . . 0.0 110.506 179.113 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 9.8 p -51.84 -36.41 19.28 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.568 0 CA-C-N 115.633 -0.712 . . . . 0.0 111.892 -177.324 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 99.9 mtt180 -45.26 -44.46 11.3 Favored 'General case' 0 CA--C 1.531 0.228 0 C-N-CA 125.497 1.519 . . . . 0.0 112.471 174.312 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 28.3 m-20 -57.68 -53.74 54.78 Favored 'General case' 0 C--O 1.241 0.627 0 CA-C-O 122.109 0.957 . . . . 0.0 108.805 178.145 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 10' ' ' CYS . . . . . 0.426 ' HB3' ' CB ' ' A' ' 17' ' ' PRO . 0.3 OUTLIER -63.02 -31.24 72.34 Favored 'General case' 0 N--CA 1.446 -0.63 0 CA-C-N 114.958 -1.019 . . . . 0.0 111.042 179.724 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 40.7 mt-30 -59.55 -26.61 65.51 Favored 'General case' 0 CA--C 1.536 0.425 0 CA-C-N 120.182 1.356 . . . . 0.0 111.004 179.529 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 15.2 mt-30 -71.62 -48.53 47.34 Favored 'General case' 0 CA--C 1.531 0.218 0 N-CA-C 108.776 -0.824 . . . . 0.0 108.776 168.763 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 5.6 t80 -63.62 -32.16 73.55 Favored 'General case' 0 CA--C 1.538 0.516 0 N-CA-C 113.903 1.075 . . . . 0.0 113.903 -172.951 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 21.7 m -150.1 142.05 23.87 Favored 'General case' 0 C--N 1.331 -0.219 0 C-N-CA 126.527 1.931 . . . . 0.0 109.307 -161.819 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -62.73 -49.17 76.09 Favored 'General case' 0 CA--C 1.535 0.376 0 N-CA-C 109.56 -0.533 . . . . 0.0 109.56 176.479 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 8.7 m -127.09 77.26 75.54 Favored Pre-proline 0 CA--C 1.534 0.361 0 C-N-CA 123.414 0.686 . . . . 0.0 111.791 -175.637 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 17' ' ' PRO . . . . . 0.426 ' CB ' ' HB3' ' A' ' 10' ' ' CYS . 3.3 Cg_endo -63.7 147.28 92.7 Favored 'Trans proline' 0 N--CA 1.433 -2.072 0 C-N-CA 121.653 1.569 . . . . 0.0 112.293 176.161 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 10.8 t0 -83.73 -56.88 3.47 Favored 'General case' 0 N--CA 1.451 -0.376 0 N-CA-C 106.995 -1.483 . . . . 0.0 106.995 178.218 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 6.3 ptt-85 -160.94 151.28 17.87 Favored 'General case' 0 N--CA 1.45 -0.456 0 O-C-N 121.869 -0.519 . . . . 0.0 109.716 175.397 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 40.8 t -85.0 112.94 21.05 Favored 'General case' 0 C--N 1.333 -0.136 0 N-CA-C 105.634 -1.988 . . . . 0.0 105.634 150.316 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 2.6 m -161.8 142.09 10.45 Favored 'General case' 0 N--CA 1.452 -0.357 0 N-CA-C 108.716 -0.846 . . . . 0.0 108.716 -168.873 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 79.0 m-85 49.76 45.0 25.0 Favored 'General case' 0 CA--C 1.535 0.385 0 C-N-CA 123.619 0.768 . . . . 0.0 110.99 -175.273 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 57.77 14.7 16.49 Favored Glycine 0 CA--C 1.536 1.351 0 C-N-CA 124.304 0.954 . . . . 0.0 114.223 -179.213 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 39.8 m -121.61 133.47 54.99 Favored 'General case' 0 N--CA 1.449 -0.478 0 C-N-CA 125.811 1.645 . . . . 0.0 107.279 -172.931 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 25' ' ' CYS . . . . . . . . . . . . 0.282 0.1 OUTLIER -91.3 85.18 5.75 Favored 'General case' 0 CA--C 1.535 0.402 0 CA-C-O 123.142 1.448 . . . . 0.0 107.316 174.074 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 51.4 m-85 -63.23 133.42 54.23 Favored 'General case' 0 N--CA 1.453 -0.29 0 C-N-CA 124.818 1.247 . . . . 0.0 108.069 177.472 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 35.5 m . . . . . 0 CA--C 1.513 -0.463 0 C-N-CA 123.209 0.604 . . . . 0.0 111.254 175.597 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 79.7 mt-30 . . . . . 0 CA--C 1.531 0.242 0 N-CA-C 109.647 -0.501 . . . . 0.0 109.647 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 20.9 p -140.19 160.35 40.15 Favored 'General case' 0 N--CA 1.454 -0.249 0 C-N-CA 126.12 1.768 . . . . 0.0 109.294 172.875 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 7.4 tt0 -100.49 -35.65 9.47 Favored 'General case' 0 N--CA 1.45 -0.457 0 C-N-CA 126.095 1.758 . . . . 0.0 109.62 171.332 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 15.2 m -161.23 161.81 30.93 Favored 'General case' 0 C--O 1.222 -0.392 0 C-N-CA 123.433 0.693 . . . . 0.0 109.33 -172.634 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 8.5 p -47.95 -36.42 5.7 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.427 0 N-CA-C 113.517 0.932 . . . . 0.0 113.517 -172.422 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 46.4 mtp85 -49.69 -39.52 36.98 Favored 'General case' 0 CA--C 1.531 0.223 0 C-N-CA 124.109 0.963 . . . . 0.0 112.963 175.74 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 45.5 m-20 -55.64 -53.94 50.32 Favored 'General case' 0 N--CA 1.448 -0.572 0 N-CA-C 108.538 -0.912 . . . . 0.0 108.538 173.837 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 10' ' ' CYS . . . . . 0.472 ' SG ' ' HB3' ' A' ' 17' ' ' PRO . 0.1 OUTLIER -58.28 -36.58 73.51 Favored 'General case' 0 N--CA 1.45 -0.439 0 CA-C-O 118.282 -0.866 . . . . 0.0 111.987 175.997 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 45.8 mt-30 -57.18 -25.49 59.06 Favored 'General case' 0 CA--C 1.537 0.468 0 CA-C-N 119.965 1.257 . . . . 0.0 111.393 178.617 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 27.1 mt-30 -76.96 -48.81 17.02 Favored 'General case' 0 CA--C 1.533 0.31 0 CA-C-N 118.415 0.552 . . . . 0.0 109.864 171.789 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 76.0 m-85 -70.52 -23.01 62.57 Favored 'General case' 0 CA--C 1.544 0.713 0 N-CA-C 113.283 0.845 . . . . 0.0 113.283 -174.292 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 20.8 m -149.35 141.99 24.48 Favored 'General case' 0 N--CA 1.463 0.197 0 C-N-CA 125.731 1.612 . . . . 0.0 109.682 -166.575 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -64.89 -50.35 66.89 Favored 'General case' 0 CA--C 1.534 0.363 0 C-N-CA 122.882 0.473 . . . . 0.0 109.795 177.425 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 20.7 m -125.33 81.38 63.95 Favored Pre-proline 0 CA--C 1.534 0.362 0 C-N-CA 123.409 0.684 . . . . 0.0 111.445 -178.1 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 17' ' ' PRO . . . . . 0.472 ' HB3' ' SG ' ' A' ' 10' ' ' CYS . 1.1 Cg_endo -63.88 162.01 30.55 Favored 'Trans proline' 0 N--CA 1.435 -1.953 0 C-N-CA 121.545 1.497 . . . . 0.0 114.164 176.357 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 28.4 t70 -96.67 -62.9 1.19 Allowed 'General case' 0 N--CA 1.453 -0.293 0 C-N-CA 127.014 2.126 . . . . 0.0 106.978 175.65 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -155.32 159.41 39.95 Favored 'General case' 0 N--CA 1.447 -0.612 0 N-CA-C 108.906 -0.776 . . . . 0.0 108.906 176.728 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 44.1 t -90.65 116.54 28.61 Favored 'General case' 0 N--CA 1.455 -0.196 0 N-CA-C 105.39 -2.078 . . . . 0.0 105.39 145.308 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 2.1 m -159.32 143.72 15.28 Favored 'General case' 0 N--CA 1.448 -0.563 0 N-CA-C 108.887 -0.782 . . . . 0.0 108.887 -172.019 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 91.1 m-85 51.34 35.25 13.41 Favored 'General case' 0 CA--C 1.538 0.505 0 C-N-CA 123.782 0.833 . . . . 0.0 111.485 -172.144 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 68.05 8.48 54.13 Favored Glycine 0 CA--C 1.535 1.333 0 CA-C-O 119.157 -0.802 . . . . 0.0 114.188 179.953 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 4.8 m -117.4 138.14 52.01 Favored 'General case' 0 N--CA 1.453 -0.286 0 C-N-CA 126.363 1.865 . . . . 0.0 109.014 -178.899 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -89.3 102.13 14.8 Favored 'General case' 0 CA--C 1.536 0.413 0 N-CA-C 107.361 -1.348 . . . . 0.0 107.361 173.091 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 71.5 m-85 -83.5 141.98 31.25 Favored 'General case' 0 N--CA 1.453 -0.291 0 C-N-CA 126.847 2.059 . . . . 0.0 108.162 178.022 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 21.7 m . . . . . 0 C--N 1.345 0.404 0 N-CA-C 113.005 0.743 . . . . 0.0 113.005 -177.956 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 82.5 mt-30 . . . . . 0 N--CA 1.465 0.311 0 CA-C-O 121.36 0.6 . . . . 0.0 109.769 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 8.5 p -142.96 167.84 21.11 Favored 'General case' 0 N--CA 1.443 -0.784 0 C-N-CA 126.474 1.91 . . . . 0.0 107.948 -174.711 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 30.1 mt-30 -107.08 -34.35 7.18 Favored 'General case' 0 N--CA 1.451 -0.412 0 C-N-CA 126.315 1.846 . . . . 0.0 109.782 168.856 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 1.4 p -156.08 172.54 18.25 Favored 'General case' 0 CA--C 1.513 -0.455 0 CA-C-O 121.992 0.901 . . . . 0.0 110.5 178.131 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 8.4 p -51.64 -34.57 16.24 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.646 0 CA-C-N 115.284 -0.871 . . . . 0.0 111.866 -176.398 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 99.5 mtt180 -46.26 -45.96 17.53 Favored 'General case' 0 CA--C 1.532 0.28 0 C-N-CA 124.993 1.317 . . . . 0.0 112.419 173.561 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 46.0 m-20 -56.46 -51.85 66.91 Favored 'General case' 0 N--CA 1.449 -0.52 0 N-CA-C 108.617 -0.883 . . . . 0.0 108.617 178.356 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 10' ' ' CYS . . . . . 0.438 ' SG ' ' HB3' ' A' ' 17' ' ' PRO . 0.1 OUTLIER -58.64 -41.04 85.11 Favored 'General case' 0 C--O 1.215 -0.73 0 C-N-CA 117.968 -1.493 . . . . 0.0 110.976 174.633 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 41.6 mt-30 -58.99 -26.91 64.9 Favored 'General case' 0 CA--C 1.534 0.358 0 CA-C-N 120.784 1.629 . . . . 0.0 112.13 179.635 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 32.0 mt-30 -66.31 -43.17 87.01 Favored 'General case' 0 CA--C 1.534 0.346 0 CA-C-N 118.734 0.697 . . . . 0.0 110.489 169.575 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 65.2 m-85 -77.21 -60.18 2.47 Favored 'General case' 0 CA--C 1.543 0.679 0 N-CA-C 114.084 1.142 . . . . 0.0 114.084 -176.663 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 31.0 m -101.93 152.06 21.38 Favored 'General case' 0 C--N 1.333 -0.148 0 C-N-CA 128.151 2.58 . . . . 0.0 109.689 -171.129 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -74.72 -45.35 44.74 Favored 'General case' 0 N--CA 1.455 -0.199 0 N-CA-C 107.76 -1.2 . . . . 0.0 107.76 178.397 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 4.6 m -126.19 76.96 72.23 Favored Pre-proline 0 C--O 1.239 0.526 0 C-N-CA 123.533 0.733 . . . . 0.0 111.123 -176.685 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 17' ' ' PRO . . . . . 0.438 ' HB3' ' SG ' ' A' ' 10' ' ' CYS . 1.0 OUTLIER -66.21 158.66 53.65 Favored 'Trans proline' 0 N--CA 1.436 -1.888 0 C-N-CA 121.085 1.19 . . . . 0.0 113.219 177.421 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 29.4 t0 -88.91 -64.38 1.15 Allowed 'General case' 0 N--CA 1.452 -0.34 0 N-CA-C 106.007 -1.849 . . . . 0.0 106.007 173.215 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 1.6 ptt85 -162.55 153.02 16.82 Favored 'General case' 0 N--CA 1.448 -0.534 0 N-CA-C 109.073 -0.714 . . . . 0.0 109.073 -177.503 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 54.1 t -80.85 108.6 14.65 Favored 'General case' 0 N--CA 1.452 -0.368 0 N-CA-C 105.885 -1.895 . . . . 0.0 105.885 147.448 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 3.1 m -157.09 147.37 21.08 Favored 'General case' 0 N--CA 1.451 -0.384 0 N-CA-C 108.741 -0.836 . . . . 0.0 108.741 -173.165 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 73.1 m-85 49.26 41.66 20.5 Favored 'General case' 0 CA--C 1.538 0.494 0 C-N-CA 123.18 0.592 . . . . 0.0 110.461 -170.466 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 54.72 20.91 20.29 Favored Glycine 0 CA--C 1.535 1.32 0 C-N-CA 124.063 0.839 . . . . 0.0 113.996 -177.91 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 62.3 m -125.72 132.95 52.27 Favored 'General case' 0 N--CA 1.449 -0.493 0 C-N-CA 126.062 1.745 . . . . 0.0 107.324 -172.847 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 25' ' ' CYS . . . . . . . . . . . . 0.284 0.0 OUTLIER -84.92 86.42 7.37 Favored 'General case' 0 CA--C 1.535 0.366 0 CA-C-O 123.153 1.454 . . . . 0.0 107.574 172.932 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 68.5 m-85 -65.64 136.93 56.96 Favored 'General case' 0 N--CA 1.451 -0.378 0 C-N-CA 124.736 1.214 . . . . 0.0 108.371 176.073 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 37.7 m . . . . . 0 C--N 1.343 0.308 0 O-C-N 123.527 0.517 . . . . 0.0 112.224 177.46 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 80.6 mt-30 . . . . . 0 CA--C 1.53 0.2 0 N-CA-C 108.826 -0.805 . . . . 0.0 108.826 . . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 12.0 p -145.13 157.41 44.1 Favored 'General case' 0 N--CA 1.447 -0.577 0 C-N-CA 125.83 1.652 . . . . 0.0 108.469 -174.128 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 32.2 tt0 -94.72 -34.18 12.64 Favored 'General case' 0 N--CA 1.455 -0.224 0 C-N-CA 125.095 1.358 . . . . 0.0 109.644 168.251 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 13.9 m -162.69 167.46 23.05 Favored 'General case' 0 C--O 1.225 -0.213 0 C-N-CA 124.01 0.924 . . . . 0.0 108.633 -173.399 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 9.8 p -47.23 -38.26 4.85 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.392 0 C-N-CA 124.024 0.93 . . . . 0.0 112.842 -175.357 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 81.3 mtt85 -49.18 -40.65 34.0 Favored 'General case' 0 CA--C 1.534 0.338 0 C-N-CA 124.219 1.007 . . . . 0.0 112.406 176.449 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 6.9 m-20 -62.87 -43.39 98.92 Favored 'General case' 0 N--CA 1.447 -0.58 0 N-CA-C 109.911 -0.403 . . . . 0.0 109.911 177.231 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 10' ' ' CYS . . . . . 0.445 ' SG ' ' HB3' ' A' ' 17' ' ' PRO . 0.5 OUTLIER -63.69 -35.71 81.44 Favored 'General case' 0 C--O 1.217 -0.619 0 C-N-CA 117.015 -1.874 . . . . 0.0 111.04 170.769 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 40.4 mt-30 -60.47 -38.84 85.5 Favored 'General case' 0 CA--C 1.534 0.347 0 CA-C-N 120.447 1.476 . . . . 0.0 110.158 -179.564 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 4.1 mt-30 -56.4 -40.05 74.03 Favored 'General case' 0 CA--C 1.54 0.581 0 O-C-N 122.126 -0.359 . . . . 0.0 110.257 170.221 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 4.1 t80 -77.15 -37.4 54.01 Favored 'General case' 0 CA--C 1.543 0.683 0 N-CA-C 114.792 1.404 . . . . 0.0 114.792 -176.789 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 7.5 m -142.9 139.3 30.73 Favored 'General case' 0 N--CA 1.463 0.222 0 C-N-CA 127.113 2.165 . . . . 0.0 108.491 -160.053 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -60.15 -48.99 79.39 Favored 'General case' 0 CA--C 1.534 0.362 0 N-CA-C 109.86 -0.422 . . . . 0.0 109.86 177.471 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 12.9 m -127.36 82.15 68.74 Favored Pre-proline 0 CA--C 1.535 0.379 0 C-N-CA 123.336 0.654 . . . . 0.0 111.803 -177.837 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 17' ' ' PRO . . . . . 0.445 ' HB3' ' SG ' ' A' ' 10' ' ' CYS . 2.4 Cg_endo -65.87 162.49 34.74 Favored 'Trans proline' 0 N--CA 1.436 -1.905 0 C-N-CA 121.533 1.489 . . . . 0.0 113.107 174.637 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 9.1 t0 -97.11 -57.23 2.32 Favored 'General case' 0 N--CA 1.452 -0.329 0 C-N-CA 125.877 1.671 . . . . 0.0 107.37 176.222 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 5.8 ptt-85 -158.13 155.25 28.81 Favored 'General case' 0 N--CA 1.452 -0.331 0 N-CA-C 109.695 -0.483 . . . . 0.0 109.695 175.586 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 41.6 t -87.93 117.89 27.09 Favored 'General case' 0 C--O 1.232 0.168 0 N-CA-C 105.217 -2.142 . . . . 0.0 105.217 147.524 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 2.0 m -162.03 141.33 9.67 Favored 'General case' 0 N--CA 1.451 -0.414 0 N-CA-C 108.483 -0.932 . . . . 0.0 108.483 -169.639 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 70.8 m-85 51.54 40.25 26.56 Favored 'General case' 0 CA--C 1.536 0.412 0 C-N-CA 123.384 0.674 . . . . 0.0 110.764 -171.484 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 54.75 18.73 11.7 Favored Glycine 0 CA--C 1.535 1.288 0 C-N-CA 124.28 0.943 . . . . 0.0 113.905 -176.889 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 55.1 m -120.9 137.05 54.78 Favored 'General case' 0 N--CA 1.45 -0.458 0 C-N-CA 126.538 1.935 . . . . 0.0 106.747 -174.421 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -93.99 98.84 11.29 Favored 'General case' 0 CA--C 1.537 0.443 0 CA-C-O 122.593 1.187 . . . . 0.0 108.018 177.238 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 50.2 m-85 -78.23 134.17 37.62 Favored 'General case' 0 N--CA 1.455 -0.207 0 C-N-CA 125.752 1.621 . . . . 0.0 108.065 177.308 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 11.4 m . . . . . 0 C--N 1.343 0.305 0 C-N-CA 123.736 0.814 . . . . 0.0 111.348 173.458 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 81.3 mt-30 . . . . . 0 N--CA 1.463 0.196 0 N-CA-C 109.032 -0.729 . . . . 0.0 109.032 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 17.9 p -143.43 168.59 19.46 Favored 'General case' 0 N--CA 1.446 -0.657 0 C-N-CA 127.246 2.218 . . . . 0.0 108.764 -174.641 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 3.2 tt0 -112.27 -30.54 7.15 Favored 'General case' 0 N--CA 1.448 -0.542 0 C-N-CA 127.24 2.216 . . . . 0.0 110.476 171.455 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 33.4 m -160.92 160.58 31.05 Favored 'General case' 0 C--O 1.222 -0.37 0 C-N-CA 124.343 1.057 . . . . 0.0 108.359 -175.29 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 10.0 p -48.62 -34.8 5.88 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.54 0 O-C-N 121.349 -0.845 . . . . 0.0 113.024 -175.344 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 99.8 mtt180 -42.5 -46.41 4.81 Favored 'General case' 0 CA--C 1.533 0.291 0 C-N-CA 125.714 1.605 . . . . 0.0 112.543 172.301 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 29.9 m-20 -55.02 -55.52 30.07 Favored 'General case' 0 N--CA 1.449 -0.523 0 C-N-CA 124.059 0.944 . . . . 0.0 108.834 175.988 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 10' ' ' CYS . . . . . 0.457 ' SG ' ' HB3' ' A' ' 17' ' ' PRO . 0.1 OUTLIER -58.03 -35.63 71.57 Favored 'General case' 0 C--O 1.219 -0.537 0 CA-C-O 118.412 -0.804 . . . . 0.0 111.852 177.38 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 40.7 mt-30 -58.91 -22.78 60.32 Favored 'General case' 0 CA--C 1.539 0.533 0 CA-C-N 119.748 1.158 . . . . 0.0 111.283 179.407 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 33.2 mt-30 -80.55 -47.03 14.8 Favored 'General case' 0 CA--C 1.533 0.296 0 CA-C-N 118.353 0.524 . . . . 0.0 110.346 170.6 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 85.0 m-85 -69.57 -24.94 63.77 Favored 'General case' 0 CA--C 1.546 0.789 0 N-CA-C 113.349 0.87 . . . . 0.0 113.349 -175.957 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 19.5 m -148.87 139.45 22.63 Favored 'General case' 0 N--CA 1.463 0.213 0 C-N-CA 126.358 1.863 . . . . 0.0 108.449 -167.124 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 3.9 mm? -67.26 -41.51 85.43 Favored 'General case' 0 CA--C 1.53 0.207 0 N-CA-C 110.428 -0.212 . . . . 0.0 110.428 178.345 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 17.8 m -127.68 80.78 71.4 Favored Pre-proline 0 C--O 1.234 0.269 0 C-N-CA 122.982 0.513 . . . . 0.0 111.469 -179.221 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 17' ' ' PRO . . . . . 0.457 ' HB3' ' SG ' ' A' ' 10' ' ' CYS . 2.4 Cg_endo -68.19 157.95 59.59 Favored 'Trans proline' 0 N--CA 1.439 -1.719 0 C-N-CA 121.333 1.355 . . . . 0.0 114.607 176.662 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 17.8 t70 -86.17 -62.76 1.44 Allowed 'General case' 0 N--CA 1.453 -0.302 0 N-CA-C 106.28 -1.748 . . . . 0.0 106.28 171.33 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -162.47 154.49 18.71 Favored 'General case' 0 N--CA 1.451 -0.378 0 C-N-CA 123.858 0.863 . . . . 0.0 109.148 -177.757 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 53.9 t -82.34 113.84 20.4 Favored 'General case' 0 N--CA 1.455 -0.188 0 N-CA-C 105.735 -1.95 . . . . 0.0 105.735 146.588 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 2.4 m -159.77 144.6 15.14 Favored 'General case' 0 N--CA 1.45 -0.427 0 N-CA-C 108.075 -1.084 . . . . 0.0 108.075 -172.819 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER 55.83 38.48 30.1 Favored 'General case' 0 CA--C 1.543 0.679 0 CA-C-O 121.402 0.62 . . . . 0.0 110.399 -177.404 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 56.67 15.92 14.44 Favored Glycine 0 CA--C 1.536 1.386 0 C-N-CA 124.28 0.943 . . . . 0.0 114.064 -176.506 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 59.0 m -122.31 134.0 54.66 Favored 'General case' 0 N--CA 1.449 -0.481 0 C-N-CA 126.224 1.81 . . . . 0.0 107.122 -172.259 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 25' ' ' CYS . . . . . . . . . . . . 0.257 0.0 OUTLIER -86.22 89.51 7.87 Favored 'General case' 0 CA--C 1.534 0.365 0 N-CA-C 106.766 -1.568 . . . . 0.0 106.766 171.412 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 44.7 m-85 -68.79 131.75 45.67 Favored 'General case' 0 N--CA 1.451 -0.405 0 N-CA-C 107.733 -1.21 . . . . 0.0 107.733 177.114 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 44.7 m . . . . . 0 C--N 1.341 0.201 0 CA-C-N 118.28 0.491 . . . . 0.0 111.251 178.804 . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 82.8 mt-30 . . . . . 0 CA--C 1.531 0.245 0 N-CA-C 109.703 -0.48 . . . . 0.0 109.703 . . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 13.5 p -145.16 175.15 10.47 Favored 'General case' 0 N--CA 1.449 -0.489 0 C-N-CA 126.504 1.921 . . . . 0.0 108.844 -174.007 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 35.4 mt-30 -113.55 -33.46 5.87 Favored 'General case' 0 CA--C 1.535 0.372 0 C-N-CA 127.624 2.37 . . . . 0.0 110.507 166.19 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 26.3 m -159.74 164.1 34.13 Favored 'General case' 0 C--O 1.222 -0.353 0 CA-C-N 119.426 1.012 . . . . 0.0 108.815 -175.507 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 10.0 p -49.81 -35.23 10.1 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.568 0 O-C-N 121.237 -0.915 . . . . 0.0 113.054 -174.097 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 62.6 ttt180 -46.92 -37.61 9.24 Favored 'General case' 0 CA--C 1.536 0.435 0 C-N-CA 125.811 1.644 . . . . 0.0 113.018 174.548 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 56.6 m-20 -61.43 -57.65 11.34 Favored 'General case' 0 N--CA 1.448 -0.568 0 C-N-CA 124.147 0.979 . . . . 0.0 108.398 173.991 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 10' ' ' CYS . . . . . 0.427 ' SG ' ' HB3' ' A' ' 17' ' ' PRO . 0.1 OUTLIER -57.15 -34.37 68.35 Favored 'General case' 0 N--CA 1.449 -0.485 0 C-N-CA 119.578 -0.849 . . . . 0.0 112.007 179.449 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 39.7 mt-30 -58.13 -22.49 51.27 Favored 'General case' 0 CA--C 1.539 0.534 0 CA-C-N 119.258 0.935 . . . . 0.0 111.329 180.0 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 36.1 mt-30 -84.9 -44.78 12.87 Favored 'General case' 0 CA--C 1.534 0.364 0 C-N-CA 123.269 0.628 . . . . 0.0 109.805 173.206 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 90.2 m-85 -66.21 -28.03 68.43 Favored 'General case' 0 CA--C 1.542 0.667 0 N-CA-C 113.412 0.893 . . . . 0.0 113.412 179.984 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 15.5 m -145.22 136.49 25.01 Favored 'General case' 0 CA--C 1.522 -0.13 0 C-N-CA 125.916 1.686 . . . . 0.0 108.702 -165.164 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -68.16 -24.25 64.96 Favored 'General case' 0 CA--C 1.536 0.422 0 C-N-CA 122.53 0.332 . . . . 0.0 111.024 177.228 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 6.7 m -147.83 80.4 8.88 Favored Pre-proline 0 C--O 1.235 0.319 0 O-C-N 120.935 -1.103 . . . . 0.0 111.463 177.936 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 17' ' ' PRO . . . . . 0.427 ' HB3' ' SG ' ' A' ' 10' ' ' CYS . 8.9 Cg_endo -64.62 162.8 29.79 Favored 'Trans proline' 0 N--CA 1.435 -1.919 0 C-N-CA 122.529 2.152 . . . . 0.0 113.088 174.831 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 24.8 t70 -96.12 -60.85 1.54 Allowed 'General case' 0 N--CA 1.449 -0.497 0 C-N-CA 125.932 1.693 . . . . 0.0 107.249 169.804 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 7.7 ptt-85 -159.15 149.72 19.59 Favored 'General case' 0 N--CA 1.443 -0.823 0 N-CA-C 110.163 -0.31 . . . . 0.0 110.163 -176.104 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 41.6 t -86.7 111.95 21.18 Favored 'General case' 0 C--N 1.333 -0.152 0 N-CA-C 105.543 -2.021 . . . . 0.0 105.543 151.989 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 3.2 m -162.11 143.29 10.66 Favored 'General case' 0 N--CA 1.45 -0.427 0 N-CA-C 108.257 -1.016 . . . . 0.0 108.257 -169.355 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 45.4 t80 52.96 41.96 32.12 Favored 'General case' 0 CA--C 1.539 0.542 0 CA-C-O 121.525 0.679 . . . . 0.0 110.78 -176.828 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 57.6 12.88 10.45 Favored Glycine 0 CA--C 1.536 1.386 0 C-N-CA 124.379 0.99 . . . . 0.0 114.317 -177.548 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 41.2 m -119.36 134.66 55.1 Favored 'General case' 0 N--CA 1.45 -0.455 0 C-N-CA 126.051 1.74 . . . . 0.0 107.275 -172.524 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 25' ' ' CYS . . . . . . . . . . . . 0.28 0.1 OUTLIER -91.91 87.6 6.29 Favored 'General case' 0 CA--C 1.536 0.439 0 CA-C-O 123.291 1.519 . . . . 0.0 107.387 172.531 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 58.5 m-85 -65.85 139.41 58.3 Favored 'General case' 0 N--CA 1.453 -0.32 0 C-N-CA 125.537 1.535 . . . . 0.0 109.02 177.699 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 7.6 m . . . . . 0 C--N 1.343 0.311 0 C-N-CA 124.551 1.14 . . . . 0.0 111.92 176.979 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 82.0 mt-30 . . . . . 0 N--CA 1.464 0.228 0 N-CA-C 109.187 -0.672 . . . . 0.0 109.187 . . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 12.1 p -148.28 162.18 40.03 Favored 'General case' 0 N--CA 1.443 -0.806 0 C-N-CA 125.915 1.686 . . . . 0.0 108.638 -175.178 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 7.0 tt0 -99.46 -39.4 8.37 Favored 'General case' 0 N--CA 1.447 -0.593 0 C-N-CA 126.713 2.005 . . . . 0.0 108.747 166.665 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 1.8 p -155.29 174.08 15.72 Favored 'General case' 0 C--O 1.221 -0.445 0 CA-C-O 122.015 0.912 . . . . 0.0 111.333 179.889 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 7.9 p -50.27 -36.78 13.42 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.549 0 CA-C-N 115.537 -0.756 . . . . 0.0 112.636 -173.75 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 3.8 mpt_? -49.03 -45.18 42.3 Favored 'General case' 0 CA--C 1.534 0.327 0 C-N-CA 124.605 1.162 . . . . 0.0 112.025 175.438 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 49.1 m-20 -54.94 -52.0 64.36 Favored 'General case' 0 N--CA 1.447 -0.603 0 N-CA-C 108.436 -0.95 . . . . 0.0 108.436 176.818 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 10' ' ' CYS . . . . . 0.45 ' SG ' ' HB3' ' A' ' 17' ' ' PRO . 0.1 OUTLIER -61.27 -39.58 90.94 Favored 'General case' 0 C--O 1.215 -0.744 0 C-N-CA 117.108 -1.837 . . . . 0.0 111.442 175.485 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 41.3 mt-30 -56.52 -35.2 67.79 Favored 'General case' 0 CA--C 1.534 0.357 0 CA-C-N 120.946 1.703 . . . . 0.0 110.789 179.287 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 5.7 mt-30 -63.54 -38.49 91.31 Favored 'General case' 0 CA--C 1.539 0.527 0 O-C-N 122.237 -0.29 . . . . 0.0 110.941 173.959 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 5.9 m-85 -73.68 -62.57 1.45 Allowed 'General case' 0 CA--C 1.545 0.772 0 CA-C-N 118.589 0.631 . . . . 0.0 112.605 178.036 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 21.9 m -111.86 141.58 45.32 Favored 'General case' 0 C--O 1.226 -0.135 0 C-N-CA 129.626 3.17 . . . . 0.0 109.292 -162.785 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 3.7 mm? -59.7 -46.15 89.94 Favored 'General case' 0 CA--C 1.531 0.238 0 C-N-CA 122.498 0.319 . . . . 0.0 110.266 175.405 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 11.9 m -129.25 79.64 73.88 Favored Pre-proline 0 C--O 1.235 0.342 0 C-N-CA 123.28 0.632 . . . . 0.0 111.312 -174.345 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 17' ' ' PRO . . . . . 0.45 ' HB3' ' SG ' ' A' ' 10' ' ' CYS . 1.0 OUTLIER -66.66 154.98 72.5 Favored 'Trans proline' 0 N--CA 1.436 -1.887 0 C-N-CA 121.013 1.142 . . . . 0.0 113.111 177.009 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 28.7 t70 -81.89 -61.76 1.83 Allowed 'General case' 0 N--CA 1.454 -0.264 0 N-CA-C 106.038 -1.838 . . . . 0.0 106.038 170.693 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 1.9 ptt85 -163.66 155.02 16.62 Favored 'General case' 0 N--CA 1.448 -0.547 0 N-CA-C 108.902 -0.777 . . . . 0.0 108.902 -178.412 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 52.9 t -82.12 112.6 19.31 Favored 'General case' 0 N--CA 1.453 -0.287 0 N-CA-C 105.531 -2.025 . . . . 0.0 105.531 145.767 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 2.4 m -155.75 141.42 17.92 Favored 'General case' 0 N--CA 1.45 -0.456 0 N-CA-C 108.792 -0.818 . . . . 0.0 108.792 -174.375 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 89.3 m-85 47.69 46.63 18.14 Favored 'General case' 0 CA--C 1.537 0.454 0 C-N-CA 123.702 0.801 . . . . 0.0 110.935 -172.107 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 57.33 14.42 12.67 Favored Glycine 0 CA--C 1.536 1.378 0 C-N-CA 124.421 1.01 . . . . 0.0 114.25 -179.868 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 35.4 m -117.51 129.31 55.72 Favored 'General case' 0 N--CA 1.448 -0.549 0 C-N-CA 125.91 1.684 . . . . 0.0 106.948 -174.118 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 25' ' ' CYS . . . . . . . . . . . . 0.254 0.0 OUTLIER -85.03 86.96 7.34 Favored 'General case' 0 CA--C 1.534 0.337 0 N-CA-C 106.636 -1.616 . . . . 0.0 106.636 172.016 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 69.2 m-85 -68.03 132.6 47.57 Favored 'General case' 0 N--CA 1.45 -0.443 0 CA-C-N 114.455 -1.248 . . . . 0.0 107.811 177.165 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 36.1 m . . . . . 0 C--N 1.341 0.234 0 CA-C-N 118.477 0.58 . . . . 0.0 111.123 175.745 . . . . . . . . 0 0 . 1 . 021 nuclear orig core ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 86.4 mt-30 . . . . . 0 N--CA 1.455 -0.182 0 N-CA-C 110.199 -0.297 . . . . 0.0 110.199 . . . . . . . . . 0 0 . 1 . 021 nuclear orig core ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 7.1 p -133.3 142.01 48.27 Favored 'General case' 0 CA--C 1.513 -0.443 0 C-N-CA 125.04 1.336 . . . . 0.0 110.02 -170.852 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 32.7 mt-30 -73.05 -34.91 66.58 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.139 -0.937 . . . . 0.0 109.594 174.024 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 4.4 m -173.1 171.82 4.05 Favored 'General case' 0 CA--C 1.53 0.182 0 C-N-CA 126.311 1.845 . . . . 0.0 106.76 -174.338 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 9.6 p -45.97 -39.52 3.27 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.405 0 C-N-CA 124.481 1.112 . . . . 0.0 113.01 -177.464 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 3.9 mpt_? -44.53 -45.14 9.16 Favored 'General case' 0 N--CA 1.464 0.245 0 C-N-CA 124.353 1.061 . . . . 0.0 112.152 174.804 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 3.2 m-20 -62.5 -43.69 98.19 Favored 'General case' 0 N--CA 1.45 -0.472 0 N-CA-C 109.87 -0.419 . . . . 0.0 109.87 -179.381 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 10' ' ' CYS . . . . . 0.443 ' SG ' ' HB3' ' A' ' 17' ' ' PRO . 0.2 OUTLIER -64.81 -35.56 81.48 Favored 'General case' 0 C--O 1.217 -0.642 0 C-N-CA 117.27 -1.772 . . . . 0.0 111.378 171.586 . . . . . . . . 3 3 . 1 . 021 nuclear orig core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 43.1 mt-30 -61.13 -39.12 88.85 Favored 'General case' 0 CA--C 1.533 0.291 0 CA-C-N 120.401 1.455 . . . . 0.0 110.003 -178.688 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 5.0 mt-30 -56.03 -44.27 78.59 Favored 'General case' 0 CA--C 1.538 0.497 0 N-CA-C 110.092 -0.336 . . . . 0.0 110.092 170.93 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 17.9 t80 -73.39 -39.78 64.84 Favored 'General case' 0 CA--C 1.539 0.527 0 N-CA-C 114.509 1.3 . . . . 0.0 114.509 -175.017 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 9.1 m -137.45 137.39 38.69 Favored 'General case' 0 N--CA 1.464 0.228 0 C-N-CA 126.657 1.983 . . . . 0.0 109.851 -160.186 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 3.6 mm? -64.65 -25.92 68.16 Favored 'General case' 0 CA--C 1.534 0.334 0 C-N-CA 123.243 0.617 . . . . 0.0 111.585 179.059 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 12.5 m -150.16 81.25 6.87 Favored Pre-proline 0 C--O 1.235 0.315 0 O-C-N 121.294 -0.879 . . . . 0.0 111.285 177.643 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 17' ' ' PRO . . . . . 0.443 ' HB3' ' SG ' ' A' ' 10' ' ' CYS . 4.6 Cg_endo -63.01 150.95 87.14 Favored 'Trans proline' 0 N--CA 1.431 -2.188 0 C-N-CA 121.448 1.432 . . . . 0.0 112.541 175.546 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 8.3 t70 -80.47 -60.03 2.47 Favored 'General case' 0 N--CA 1.449 -0.476 0 N-CA-C 106.564 -1.643 . . . . 0.0 106.564 170.95 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 9.0 ptt-85 -160.62 154.55 22.75 Favored 'General case' 0 N--CA 1.442 -0.869 0 C-N-CA 122.371 0.268 . . . . 0.0 110.393 -177.783 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 54.0 t -91.98 108.96 20.31 Favored 'General case' 0 C--N 1.334 -0.101 0 N-CA-C 105.475 -2.046 . . . . 0.0 105.475 152.664 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 3.6 m -162.23 147.86 12.92 Favored 'General case' 0 N--CA 1.452 -0.331 0 N-CA-C 108.436 -0.95 . . . . 0.0 108.436 -167.108 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 75.1 m-85 51.17 39.83 24.5 Favored 'General case' 0 CA--C 1.539 0.521 0 C-N-CA 123.251 0.62 . . . . 0.0 110.346 -171.073 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 56.06 16.45 13.48 Favored Glycine 0 CA--C 1.533 1.172 0 C-N-CA 124.125 0.869 . . . . 0.0 114.224 -176.966 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 77.4 m -121.91 137.22 54.87 Favored 'General case' 0 N--CA 1.452 -0.352 0 C-N-CA 126.569 1.948 . . . . 0.0 107.41 -171.879 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -90.24 91.89 8.7 Favored 'General case' 0 CA--C 1.534 0.362 0 CA-C-O 123.119 1.438 . . . . 0.0 107.207 172.933 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 47.8 m-85 -71.77 129.48 38.75 Favored 'General case' 0 N--CA 1.451 -0.397 0 C-N-CA 124.937 1.295 . . . . 0.0 108.13 176.476 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 34.4 m . . . . . 0 C--N 1.343 0.291 0 CA-C-N 118.606 0.639 . . . . 0.0 111.475 173.276 . . . . . . . . 0 0 . 1 . 022 nuclear orig core ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 78.2 mt-30 . . . . . 0 CA--C 1.535 0.376 0 N-CA-C 109.268 -0.642 . . . . 0.0 109.268 . . . . . . . . . 0 0 . 1 . 022 nuclear orig core ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 10.7 p -136.77 164.13 29.0 Favored 'General case' 0 N--CA 1.454 -0.241 0 C-N-CA 126.222 1.809 . . . . 0.0 107.845 168.28 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 2.9 tt0 -97.47 -41.19 8.31 Favored 'General case' 0 N--CA 1.45 -0.464 0 C-N-CA 125.656 1.583 . . . . 0.0 108.833 167.012 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 22.9 m -158.98 155.38 27.46 Favored 'General case' 0 C--O 1.223 -0.307 0 N-CA-C 108.634 -0.876 . . . . 0.0 108.634 -165.675 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 9.4 p -45.43 -36.63 1.93 Allowed 'Isoleucine or valine' 0 CA--C 1.536 0.406 0 N-CA-C 113.473 0.916 . . . . 0.0 113.473 -172.409 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 44.5 ttt85 -47.56 -41.44 21.46 Favored 'General case' 0 CA--C 1.537 0.45 0 C-N-CA 125.016 1.326 . . . . 0.0 113.306 175.586 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 52.1 m-20 -52.61 -52.93 53.05 Favored 'General case' 0 N--CA 1.45 -0.473 0 C-N-CA 124.16 0.984 . . . . 0.0 108.66 173.427 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 10' ' ' CYS . . . . . 0.424 ' SG ' ' HB3' ' A' ' 17' ' ' PRO . 0.1 OUTLIER -63.32 -36.39 83.55 Favored 'General case' 0 N--CA 1.445 -0.688 0 CA-C-O 117.94 -1.029 . . . . 0.0 111.851 175.157 . . . . . . . . 3 3 . 1 . 022 nuclear orig core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 45.4 mt-30 -58.04 -34.15 69.75 Favored 'General case' 0 N--CA 1.466 0.345 0 CA-C-N 120.617 1.553 . . . . 0.0 110.728 -179.067 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 32.2 mt-30 -66.55 -45.72 78.44 Favored 'General case' 0 CA--C 1.535 0.399 0 O-C-N 122.155 -0.341 . . . . 0.0 110.364 171.786 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 22.9 t80 -67.24 -40.7 86.36 Favored 'General case' 0 CA--C 1.538 0.501 0 N-CA-C 114.263 1.208 . . . . 0.0 114.263 -174.665 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 13.0 m -137.08 138.89 40.87 Favored 'General case' 0 C--N 1.331 -0.221 0 C-N-CA 127.831 2.452 . . . . 0.0 108.685 -163.573 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -62.22 -46.84 87.06 Favored 'General case' 0 CA--C 1.534 0.352 0 N-CA-C 109.753 -0.462 . . . . 0.0 109.753 177.922 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 18.0 m -124.8 81.49 61.46 Favored Pre-proline 0 C--O 1.235 0.322 0 C-N-CA 123.427 0.691 . . . . 0.0 111.68 -178.457 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 17' ' ' PRO . . . . . 0.424 ' HB3' ' SG ' ' A' ' 10' ' ' CYS . 4.9 Cg_endo -68.05 161.2 45.31 Favored 'Trans proline' 0 N--CA 1.434 -2.022 0 C-N-CA 120.674 0.916 . . . . 0.0 113.356 174.573 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 14.3 t0 -87.97 -62.32 1.52 Allowed 'General case' 0 N--CA 1.448 -0.536 0 N-CA-C 107.224 -1.398 . . . . 0.0 107.224 171.6 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -161.84 156.07 22.16 Favored 'General case' 0 N--CA 1.45 -0.449 0 C-N-CA 123.918 0.887 . . . . 0.0 108.679 -176.064 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 52.8 t -84.39 113.7 21.36 Favored 'General case' 0 N--CA 1.455 -0.204 0 N-CA-C 105.554 -2.017 . . . . 0.0 105.554 146.715 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 2.5 m -159.33 147.14 17.44 Favored 'General case' 0 N--CA 1.449 -0.504 0 N-CA-C 108.665 -0.865 . . . . 0.0 108.665 -171.964 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 10.1 t80 55.48 30.06 14.44 Favored 'General case' 0 CA--C 1.54 0.57 0 C-N-CA 123.217 0.607 . . . . 0.0 111.837 -176.922 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 71.9 6.73 64.43 Favored Glycine 0 CA--C 1.536 1.396 0 CA-C-O 119.296 -0.724 . . . . 0.0 114.034 -178.558 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 23.3 m -120.54 139.03 53.52 Favored 'General case' 0 N--CA 1.454 -0.228 0 C-N-CA 126.596 1.959 . . . . 0.0 109.335 -176.676 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -81.94 92.14 6.69 Favored 'General case' 0 CA--C 1.532 0.267 0 N-CA-C 106.728 -1.582 . . . . 0.0 106.728 168.744 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 41.6 m-85 -69.85 124.68 24.63 Favored 'General case' 0 N--CA 1.449 -0.487 0 N-CA-C 106.908 -1.515 . . . . 0.0 106.908 175.767 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 57.4 m . . . . . 0 C--N 1.34 0.174 0 CA-C-N 118.717 0.69 . . . . 0.0 110.031 172.681 . . . . . . . . 0 0 . 1 . 023 nuclear orig core ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 82.8 mt-30 . . . . . 0 N--CA 1.464 0.231 0 N-CA-C 108.966 -0.753 . . . . 0.0 108.966 . . . . . . . . . 0 0 . 1 . 023 nuclear orig core ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 13.5 p -138.32 166.47 24.14 Favored 'General case' 0 N--CA 1.446 -0.645 0 C-N-CA 126.907 2.083 . . . . 0.0 108.72 -177.164 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 6.8 tt0 -103.81 -38.76 6.91 Favored 'General case' 0 N--CA 1.451 -0.383 0 C-N-CA 126.955 2.102 . . . . 0.0 109.178 166.884 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 2.6 p -155.78 177.92 10.85 Favored 'General case' 0 CA--C 1.513 -0.458 0 CA-C-O 122.269 1.033 . . . . 0.0 110.685 179.441 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 8.8 p -54.12 -35.58 29.68 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.768 0 CA-C-N 115.419 -0.81 . . . . 0.0 112.051 -176.177 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -41.56 -45.66 3.37 Favored 'General case' 0 CA--C 1.536 0.405 0 C-N-CA 125.353 1.461 . . . . 0.0 112.796 170.204 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 32.3 m-20 -61.24 -55.89 26.84 Favored 'General case' 0 N--CA 1.448 -0.568 0 N-CA-C 108.241 -1.022 . . . . 0.0 108.241 179.398 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 10' ' ' CYS . . . . . 0.464 ' SG ' ' HB3' ' A' ' 17' ' ' PRO . 0.1 OUTLIER -57.68 -35.76 71.03 Favored 'General case' 0 C--O 1.22 -0.489 0 C-N-CA 119.223 -0.991 . . . . 0.0 112.175 179.195 . . . . . . . . 3 3 . 1 . 023 nuclear orig core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 39.8 mt-30 -56.67 -25.22 53.27 Favored 'General case' 0 CA--C 1.536 0.434 0 CA-C-N 119.512 1.051 . . . . 0.0 111.696 179.223 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 34.2 mt-30 -83.52 -44.17 14.97 Favored 'General case' 0 CA--C 1.532 0.273 0 C-N-CA 122.826 0.45 . . . . 0.0 109.918 174.675 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 83.5 m-85 -68.67 -25.28 64.73 Favored 'General case' 0 CA--C 1.544 0.744 0 N-CA-C 113.113 0.782 . . . . 0.0 113.113 -179.563 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 26.5 m -150.74 139.18 20.45 Favored 'General case' 0 N--CA 1.461 0.124 0 C-N-CA 125.89 1.676 . . . . 0.0 109.209 -165.283 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -63.82 -47.38 81.05 Favored 'General case' 0 CA--C 1.535 0.38 0 N-CA-C 109.635 -0.506 . . . . 0.0 109.635 177.088 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 7.2 m -125.64 76.52 69.9 Favored Pre-proline 0 CA--C 1.534 0.328 0 C-N-CA 123.385 0.674 . . . . 0.0 112.169 -174.977 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 17' ' ' PRO . . . . . 0.464 ' HB3' ' SG ' ' A' ' 10' ' ' CYS . 1.7 Cg_endo -65.0 153.68 77.12 Favored 'Trans proline' 0 N--CA 1.435 -1.937 0 C-N-CA 121.328 1.352 . . . . 0.0 113.449 177.757 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 14.0 t0 -88.38 -60.54 1.94 Allowed 'General case' 0 N--CA 1.451 -0.39 0 N-CA-C 106.905 -1.517 . . . . 0.0 106.905 174.594 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 1.9 ptt-85 -158.95 149.89 20.08 Favored 'General case' 0 N--CA 1.45 -0.443 0 C-N-CA 122.99 0.516 . . . . 0.0 109.874 176.613 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 46.5 t -82.1 113.05 19.7 Favored 'General case' 0 C--N 1.332 -0.194 0 N-CA-C 105.633 -1.988 . . . . 0.0 105.633 148.734 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 2.5 m -160.61 143.1 12.9 Favored 'General case' 0 N--CA 1.452 -0.357 0 N-CA-C 108.495 -0.928 . . . . 0.0 108.495 -170.425 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 88.7 m-85 49.72 43.15 24.41 Favored 'General case' 0 CA--C 1.538 0.496 0 C-N-CA 123.46 0.704 . . . . 0.0 111.118 -173.108 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 56.91 16.7 18.96 Favored Glycine 0 CA--C 1.536 1.362 0 C-N-CA 123.954 0.788 . . . . 0.0 113.978 -178.743 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 56.1 m -123.18 133.36 54.25 Favored 'General case' 0 N--CA 1.448 -0.557 0 C-N-CA 126.18 1.792 . . . . 0.0 107.1 -172.818 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 25' ' ' CYS . . . . . . . . . . . . 0.282 0.0 OUTLIER -90.96 88.05 6.86 Favored 'General case' 0 CA--C 1.535 0.39 0 CA-C-O 123.12 1.438 . . . . 0.0 107.67 175.407 . . . . . . . . 3 3 . 1 . 023 nuclear orig core ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 56.3 m-85 -65.9 131.87 47.28 Favored 'General case' 0 N--CA 1.453 -0.31 0 C-N-CA 124.893 1.277 . . . . 0.0 108.044 176.677 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 36.8 m . . . . . 0 CA--C 1.519 -0.239 0 C-N-CA 123.219 0.608 . . . . 0.0 111.085 178.334 . . . . . . . . 0 0 . 1 . 024 nuclear orig core ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 81.7 mt-30 . . . . . 0 N--CA 1.462 0.146 0 N-CA-C 108.984 -0.747 . . . . 0.0 108.984 . . . . . . . . . 0 0 . 1 . 024 nuclear orig core ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 12.5 p -140.89 165.24 28.06 Favored 'General case' 0 N--CA 1.445 -0.713 0 C-N-CA 126.203 1.801 . . . . 0.0 108.575 -176.277 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -104.11 -36.98 7.51 Favored 'General case' 0 N--CA 1.448 -0.567 0 C-N-CA 126.738 2.015 . . . . 0.0 109.227 170.383 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 6.1 m -162.66 162.84 27.17 Favored 'General case' 0 C--O 1.222 -0.368 0 C-N-CA 124.044 0.937 . . . . 0.0 109.062 -174.149 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 9.1 p -47.56 -35.44 4.18 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.521 0 N-CA-C 113.692 0.997 . . . . 0.0 113.692 -172.01 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 8.5 mmp_? -36.92 -52.64 0.94 Allowed 'General case' 0 CA--C 1.535 0.367 0 C-N-CA 125.394 1.477 . . . . 0.0 112.793 168.896 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 33.6 m-20 -51.95 -55.77 18.32 Favored 'General case' 0 N--CA 1.447 -0.589 0 C-N-CA 124.858 1.263 . . . . 0.0 108.975 178.704 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 10' ' ' CYS . . . . . 0.44 ' SG ' ' HB3' ' A' ' 17' ' ' PRO . 0.1 OUTLIER -61.36 -37.77 84.56 Favored 'General case' 0 C--O 1.218 -0.587 0 C-N-CA 118.964 -1.094 . . . . 0.0 111.584 177.771 . . . . . . . . 3 3 . 1 . 024 nuclear orig core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 87.5 mt-30 -60.53 -33.22 72.33 Favored 'General case' 0 CA--C 1.53 0.196 0 CA-C-N 119.466 1.03 . . . . 0.0 110.441 -178.09 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 27.4 mt-30 -64.38 -43.56 94.11 Favored 'General case' 0 CA--C 1.536 0.433 0 O-C-N 122.072 -0.392 . . . . 0.0 110.428 170.334 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 27.9 m-85 -81.4 -20.91 39.48 Favored 'General case' 0 CA--C 1.542 0.662 0 N-CA-C 115.435 1.643 . . . . 0.0 115.435 -174.942 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 16.8 m -148.15 137.48 22.13 Favored 'General case' 0 C--O 1.225 -0.192 0 C-N-CA 125.547 1.539 . . . . 0.0 108.474 -166.759 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -61.63 -49.36 76.89 Favored 'General case' 0 CA--C 1.533 0.325 0 N-CA-C 109.717 -0.475 . . . . 0.0 109.717 178.756 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 21.8 m -125.36 81.81 63.47 Favored Pre-proline 0 C--O 1.237 0.403 0 C-N-CA 123.482 0.713 . . . . 0.0 111.534 -178.979 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 17' ' ' PRO . . . . . 0.44 ' HB3' ' SG ' ' A' ' 10' ' ' CYS . 3.8 Cg_endo -65.99 157.49 59.1 Favored 'Trans proline' 0 N--CA 1.433 -2.066 0 C-N-CA 121.012 1.142 . . . . 0.0 112.451 173.691 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 31.1 t0 -83.62 -61.4 1.84 Allowed 'General case' 0 N--CA 1.448 -0.538 0 N-CA-C 107.048 -1.464 . . . . 0.0 107.048 167.806 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 1.2 ptt85 -162.1 154.53 19.58 Favored 'General case' 0 N--CA 1.449 -0.496 0 N-CA-C 109.313 -0.625 . . . . 0.0 109.313 -176.306 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 50.4 t -81.28 112.7 18.83 Favored 'General case' 0 N--CA 1.454 -0.272 0 N-CA-C 105.613 -1.995 . . . . 0.0 105.613 145.159 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 2.3 m -156.62 144.13 19.12 Favored 'General case' 0 N--CA 1.45 -0.447 0 O-C-N 121.353 -0.842 . . . . 0.0 109.062 -173.866 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 96.2 m-85 49.33 42.53 22.19 Favored 'General case' 0 CA--C 1.538 0.489 0 C-N-CA 123.44 0.696 . . . . 0.0 110.815 -171.176 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 55.62 17.93 15.05 Favored Glycine 0 CA--C 1.535 1.309 0 C-N-CA 124.109 0.861 . . . . 0.0 114.013 -178.27 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 57.2 m -121.93 133.87 54.85 Favored 'General case' 0 N--CA 1.449 -0.5 0 C-N-CA 126.416 1.886 . . . . 0.0 106.936 -173.572 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 25' ' ' CYS . . . . . . . . . . . . 0.263 0.0 OUTLIER -87.39 92.33 9.04 Favored 'General case' 0 CA--C 1.535 0.396 0 CA-C-O 122.836 1.303 . . . . 0.0 107.623 174.152 . . . . . . . . 3 3 . 1 . 024 nuclear orig core ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 50.7 m-85 -70.45 130.02 40.8 Favored 'General case' 0 N--CA 1.452 -0.37 0 C-N-CA 124.713 1.205 . . . . 0.0 108.249 176.876 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 33.2 m . . . . . 0 C--N 1.343 0.285 0 C-N-CA 123.275 0.63 . . . . 0.0 111.743 174.477 . . . . . . . . 0 0 . 1 . 025 nuclear orig core ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 80.9 mt-30 . . . . . 0 CA--C 1.53 0.197 0 N-CA-C 110.305 -0.257 . . . . 0.0 110.305 . . . . . . . . . 0 0 . 1 . 025 nuclear orig core ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 4.6 p -137.29 153.55 50.28 Favored 'General case' 0 N--CA 1.449 -0.494 0 C-N-CA 125.71 1.604 . . . . 0.0 108.642 178.529 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 8.5 tt0 -78.9 -42.68 26.59 Favored 'General case' 0 N--CA 1.451 -0.404 0 C-N-CA 124.614 1.166 . . . . 0.0 109.611 166.671 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 5.8 m -170.18 174.33 5.43 Favored 'General case' 0 CA--C 1.53 0.187 0 C-N-CA 125.93 1.692 . . . . 0.0 107.109 -172.457 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 9.4 p -51.01 -33.13 12.72 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.53 0 C-N-CA 124.115 0.966 . . . . 0.0 113.092 -176.748 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 81.3 mtt-85 -46.99 -44.03 19.84 Favored 'General case' 0 CA--C 1.533 0.309 0 C-N-CA 123.622 0.769 . . . . 0.0 112.262 171.12 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -62.02 -49.7 75.0 Favored 'General case' 0 N--CA 1.451 -0.395 0 N-CA-C 109.253 -0.647 . . . . 0.0 109.253 -179.856 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 10' ' ' CYS . . . . . 0.441 ' SG ' ' HB3' ' A' ' 17' ' ' PRO . 0.1 OUTLIER -61.15 -34.95 75.84 Favored 'General case' 0 C--O 1.218 -0.573 0 C-N-CA 117.157 -1.817 . . . . 0.0 111.172 176.25 . . . . . . . . 3 3 . 1 . 025 nuclear orig core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 40.7 mt-30 -59.98 -39.26 85.09 Favored 'General case' 0 CA--C 1.532 0.288 0 CA-C-N 119.841 1.201 . . . . 0.0 111.306 -178.126 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 18.1 pt20 -68.94 -28.19 66.42 Favored 'General case' 0 N--CA 1.444 -0.748 0 CA-C-N 119.184 0.902 . . . . 0.0 112.071 171.961 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 10.1 t80 -77.59 -36.72 51.65 Favored 'General case' 0 CA--C 1.539 0.539 0 N-CA-C 113.971 1.1 . . . . 0.0 113.971 -179.433 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 7.6 m -141.59 136.48 31.08 Favored 'General case' 0 N--CA 1.462 0.161 0 C-N-CA 127.054 2.141 . . . . 0.0 108.673 -163.271 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -66.61 -23.34 66.16 Favored 'General case' 0 CA--C 1.538 0.484 0 O-C-N 122.25 -0.281 . . . . 0.0 111.502 178.776 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 8.2 m -149.03 80.12 8.12 Favored Pre-proline 0 C--O 1.238 0.477 0 O-C-N 120.991 -1.068 . . . . 0.0 111.507 176.644 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 17' ' ' PRO . . . . . 0.441 ' HB3' ' SG ' ' A' ' 10' ' ' CYS . 6.8 Cg_endo -63.5 162.35 27.94 Favored 'Trans proline' 0 N--CA 1.432 -2.141 0 C-N-CA 122.139 1.892 . . . . 0.0 112.682 174.988 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 25.4 t0 -92.05 -60.69 1.79 Allowed 'General case' 0 N--CA 1.448 -0.566 0 N-CA-C 105.834 -1.913 . . . . 0.0 105.834 172.476 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 1.6 ptt85 -163.53 154.12 15.95 Favored 'General case' 0 N--CA 1.448 -0.552 0 N-CA-C 108.91 -0.774 . . . . 0.0 108.91 -177.999 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 53.3 t -82.23 111.69 18.55 Favored 'General case' 0 N--CA 1.454 -0.247 0 N-CA-C 105.381 -2.081 . . . . 0.0 105.381 146.629 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 2.4 m -156.56 144.32 19.34 Favored 'General case' 0 N--CA 1.449 -0.502 0 N-CA-C 108.686 -0.857 . . . . 0.0 108.686 -172.993 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 35.8 t80 51.22 42.41 28.85 Favored 'General case' 0 CA--C 1.538 0.512 0 CA-C-O 121.572 0.701 . . . . 0.0 110.963 -174.889 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 56.02 17.64 16.9 Favored Glycine 0 CA--C 1.536 1.402 0 C-N-CA 124.317 0.96 . . . . 0.0 114.231 -177.848 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 52.8 m -123.74 131.56 53.62 Favored 'General case' 0 N--CA 1.45 -0.452 0 C-N-CA 126.708 2.003 . . . . 0.0 107.237 -172.764 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 25' ' ' CYS . . . . . . . . . . . . 0.252 0.0 OUTLIER -85.05 90.87 7.95 Favored 'General case' 0 CA--C 1.535 0.385 0 N-CA-C 107.392 -1.336 . . . . 0.0 107.392 172.141 . . . . . . . . 3 3 . 1 . 025 nuclear orig core ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 56.7 m-85 -70.6 135.84 48.74 Favored 'General case' 0 N--CA 1.452 -0.336 0 C-N-CA 124.866 1.267 . . . . 0.0 108.344 177.041 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 13.0 m . . . . . 0 C--N 1.342 0.265 0 C-N-CA 123.88 0.872 . . . . 0.0 111.545 173.793 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 1' ' ' PCA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.462 0 N-CA-C 108.406 -0.961 . . . . 0.0 108.406 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 2.7 p -122.38 99.49 6.44 Favored 'General case' 0 N--CA 1.447 -0.6 0 C-N-CA 125.295 1.438 . . . . 0.0 108.177 -176.622 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 85.3 mt-30 -55.84 -30.53 61.6 Favored 'General case' 0 CA--C 1.533 0.312 0 N-CA-C 111.972 0.36 . . . . 0.0 111.972 175.184 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 22.0 p -136.57 159.37 42.0 Favored 'General case' 0 CA--C 1.514 -0.416 0 C-N-CA 124.684 1.194 . . . . 0.0 109.591 -176.285 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 91.0 mt-30 -99.08 -37.19 9.44 Favored 'General case' 0 N--CA 1.448 -0.528 0 C-N-CA 125.696 1.599 . . . . 0.0 109.043 171.668 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 23.0 m -160.22 164.69 32.56 Favored 'General case' 0 C--O 1.225 -0.232 0 N-CA-C 109.151 -0.685 . . . . 0.0 109.151 -171.224 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 9.8 p -47.69 -37.83 6.01 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.468 0 C-N-CA 123.748 0.819 . . . . 0.0 112.443 -178.433 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 8.6 tmm_? -29.14 -54.03 0.12 Allowed 'General case' 0 CA--C 1.534 0.36 0 C-N-CA 127.826 2.451 . . . . 0.0 113.345 165.207 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 66.8 m-20 -61.46 -47.77 84.19 Favored 'General case' 0 N--CA 1.445 -0.712 0 C-N-CA 125.125 1.37 . . . . 0.0 108.941 -177.708 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' CYS . . . . . 0.433 ' HB3' ' CB ' ' A' ' 17' ' ' PRO . 0.1 OUTLIER -66.82 -32.71 74.16 Favored 'General case' 0 N--CA 1.447 -0.61 0 C-N-CA 118.325 -1.35 . . . . 0.0 112.099 174.954 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 89.1 mt-30 -61.04 -38.14 85.11 Favored 'General case' 0 CA--C 1.53 0.204 0 CA-C-N 120.08 1.309 . . . . 0.0 110.788 -175.516 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 6.7 pt20 -71.24 -35.36 71.42 Favored 'General case' 0 N--CA 1.441 -0.881 0 O-C-N 121.612 -0.68 . . . . 0.0 111.546 171.043 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 17.3 t80 -67.69 -38.71 84.05 Favored 'General case' 0 CA--C 1.54 0.558 0 N-CA-C 114.063 1.134 . . . . 0.0 114.063 -179.593 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 19.2 m -143.28 138.47 29.58 Favored 'General case' 0 CA--C 1.52 -0.177 0 C-N-CA 127.289 2.235 . . . . 0.0 108.618 -162.176 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 3.9 mm? -63.73 -41.85 98.0 Favored 'General case' 0 CA--C 1.532 0.265 0 O-C-N 122.309 -0.244 . . . . 0.0 110.652 177.576 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 18.9 m -129.31 78.84 75.23 Favored Pre-proline 0 C--O 1.236 0.387 0 C-N-CA 123.138 0.575 . . . . 0.0 111.682 -178.831 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' PRO . . . . . 0.433 ' CB ' ' HB3' ' A' ' 10' ' ' CYS . 4.8 Cg_endo -65.38 159.4 47.67 Favored 'Trans proline' 0 N--CA 1.434 -1.997 0 C-N-CA 121.133 1.222 . . . . 0.0 112.668 175.382 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 17.3 t70 -92.41 -61.77 1.54 Allowed 'General case' 0 N--CA 1.448 -0.561 0 N-CA-C 107.677 -1.231 . . . . 0.0 107.677 172.316 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 2.4 ptt180 -158.04 148.7 20.69 Favored 'General case' 0 N--CA 1.445 -0.705 0 C-N-CA 122.674 0.39 . . . . 0.0 110.503 179.065 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 42.0 t -79.67 109.69 14.31 Favored 'General case' 0 N--CA 1.455 -0.178 0 N-CA-C 105.896 -1.89 . . . . 0.0 105.896 149.772 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 2.9 m -161.07 157.43 26.08 Favored 'General case' 0 N--CA 1.449 -0.519 0 N-CA-C 107.319 -1.363 . . . . 0.0 107.319 -173.717 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 16.1 t80 51.61 32.92 9.81 Favored 'General case' 0 CA--C 1.541 0.604 0 C-N-CA 123.128 0.571 . . . . 0.0 112.187 179.376 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 52.67 28.44 30.17 Favored Glycine 0 CA--C 1.533 1.172 0 C-N-CA 124.426 1.012 . . . . 0.0 113.901 -177.591 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 12.0 m -152.94 114.97 4.36 Favored 'General case' 0 C--O 1.226 -0.176 0 N-CA-C 107.315 -1.365 . . . . 0.0 107.315 -175.116 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 25' ' ' CYS . . . . . . . . . . . . 0.254 0.5 OUTLIER -72.94 103.47 3.76 Favored 'General case' 0 CA--C 1.536 0.413 0 CA-C-O 122.591 1.186 . . . . 0.0 110.024 -171.305 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 68.0 m-85 -69.58 132.74 46.7 Favored 'General case' 0 N--CA 1.448 -0.548 0 C-N-CA 125.993 1.717 . . . . 0.0 108.115 179.686 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 36.8 m -112.55 140.42 47.31 Favored 'General case' 0 C--N 1.343 0.285 0 O-C-N 123.623 0.577 . . . . 0.0 111.264 173.869 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 19.3 ttmm -74.85 -34.42 62.28 Favored 'General case' 0 N--CA 1.448 -0.561 0 C-N-CA 122.66 0.384 . . . . 0.0 110.889 -166.44 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 21.7 m -153.26 88.21 1.29 Allowed 'General case' 0 N--CA 1.454 -0.234 0 N-CA-C 107.89 -1.152 . . . . 0.0 107.89 176.244 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 7.9 m -155.39 149.97 26.22 Favored 'General case' 0 CA--C 1.53 0.186 0 N-CA-C 106.71 -1.589 . . . . 0.0 106.71 176.971 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 31' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.333 -0.126 0 CA-C-N 118.214 0.461 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 1' ' ' PCA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.365 0 N-CA-C 110.005 -0.369 . . . . 0.0 110.005 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 13.8 m -145.07 -117.43 0.09 Allowed 'General case' 0 C--N 1.33 -0.256 0 N-CA-C 107.788 -1.19 . . . . 0.0 107.788 172.943 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 81.0 mt-30 -60.44 -30.46 69.66 Favored 'General case' 0 CA--C 1.531 0.223 0 CA-C-N 119.023 0.829 . . . . 0.0 110.251 170.003 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 4.5 p -136.41 152.92 51.13 Favored 'General case' 0 N--CA 1.449 -0.48 0 C-N-CA 125.606 1.562 . . . . 0.0 108.774 178.846 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 8.3 tt0 -78.58 -42.08 30.09 Favored 'General case' 0 N--CA 1.452 -0.343 0 C-N-CA 124.733 1.213 . . . . 0.0 109.687 166.414 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 9.7 m -168.57 175.37 6.23 Favored 'General case' 0 CA--C 1.529 0.166 0 C-N-CA 126.419 1.888 . . . . 0.0 106.838 -174.782 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 7.9 p -49.03 -37.93 10.26 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.392 0 C-N-CA 123.683 0.793 . . . . 0.0 112.346 -177.988 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 48.0 ttt85 -47.18 -40.03 15.08 Favored 'General case' 0 CA--C 1.533 0.317 0 C-N-CA 125.117 1.367 . . . . 0.0 112.493 174.63 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -63.83 -47.92 78.89 Favored 'General case' 0 N--CA 1.454 -0.238 0 N-CA-C 109.126 -0.694 . . . . 0.0 109.126 176.771 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 10' ' ' CYS . . . . . 0.434 ' SG ' ' HB3' ' A' ' 17' ' ' PRO . 0.1 OUTLIER -60.25 -33.53 72.42 Favored 'General case' 0 N--CA 1.448 -0.569 0 C-N-CA 117.536 -1.666 . . . . 0.0 111.072 175.372 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 40.9 mt-30 -57.33 -35.89 70.46 Favored 'General case' 0 CA--C 1.536 0.41 0 CA-C-N 120.105 1.321 . . . . 0.0 111.795 -179.075 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 16.2 pt20 -75.6 -29.16 59.17 Favored 'General case' 0 N--CA 1.446 -0.672 0 CA-C-N 119.246 0.93 . . . . 0.0 111.644 172.356 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 4.3 t80 -73.97 -35.89 64.52 Favored 'General case' 0 CA--C 1.542 0.672 0 C-N-CA 124.246 1.018 . . . . 0.0 113.51 -179.734 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 10.3 m -145.89 139.07 26.02 Favored 'General case' 0 N--CA 1.462 0.132 0 C-N-CA 127.19 2.196 . . . . 0.0 107.965 -163.282 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 3.9 mm? -63.17 -41.95 99.32 Favored 'General case' 0 CA--C 1.532 0.287 0 CA-C-O 119.636 -0.221 . . . . 0.0 110.485 176.548 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 14.2 m -130.54 77.64 75.49 Favored Pre-proline 0 CA--C 1.537 0.467 0 C-N-CA 123.075 0.55 . . . . 0.0 111.991 -177.607 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 17' ' ' PRO . . . . . 0.434 ' HB3' ' SG ' ' A' ' 10' ' ' CYS . 5.3 Cg_endo -65.04 160.22 42.72 Favored 'Trans proline' 0 N--CA 1.436 -1.903 0 C-N-CA 121.467 1.445 . . . . 0.0 112.814 176.052 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 27.9 t70 -96.58 -61.36 1.43 Allowed 'General case' 0 N--CA 1.449 -0.49 0 C-N-CA 125.525 1.53 . . . . 0.0 107.401 175.269 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 11.1 ptt180 -158.31 150.95 22.23 Favored 'General case' 0 N--CA 1.44 -0.944 0 C-N-CA 122.623 0.369 . . . . 0.0 110.132 -179.613 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 47.7 t -87.37 110.58 20.35 Favored 'General case' 0 C--N 1.333 -0.144 0 N-CA-C 105.552 -2.018 . . . . 0.0 105.552 151.872 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 3.3 m -160.73 145.08 13.93 Favored 'General case' 0 N--CA 1.45 -0.468 0 N-CA-C 108.097 -1.075 . . . . 0.0 108.097 -169.206 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 79.6 m-85 50.24 41.31 23.98 Favored 'General case' 0 CA--C 1.536 0.41 0 C-N-CA 123.186 0.595 . . . . 0.0 110.767 -172.013 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 55.05 19.43 15.44 Favored Glycine 0 CA--C 1.536 1.354 0 C-N-CA 124.258 0.932 . . . . 0.0 114.069 -178.015 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 62.5 m -124.2 136.19 53.99 Favored 'General case' 0 N--CA 1.45 -0.428 0 C-N-CA 126.595 1.958 . . . . 0.0 107.057 -173.36 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 25' ' ' CYS . . . . . . . . . . . . 0.271 0.1 OUTLIER -92.17 87.87 6.27 Favored 'General case' 0 CA--C 1.537 0.462 0 CA-C-O 122.961 1.362 . . . . 0.0 107.932 175.013 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 39.1 m-85 -64.88 137.49 57.79 Favored 'General case' 0 N--CA 1.454 -0.24 0 C-N-CA 125.081 1.352 . . . . 0.0 108.399 175.984 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 18.0 m -122.52 151.08 41.71 Favored 'General case' 0 C--N 1.343 0.296 0 C-N-CA 123.749 0.82 . . . . 0.0 111.663 174.758 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 61.8 mttm -77.34 66.79 3.17 Favored 'General case' 0 CA--C 1.53 0.19 0 N-CA-C 108.654 -0.869 . . . . 0.0 108.654 178.904 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 6.2 m -152.23 54.08 0.81 Allowed 'General case' 0 C--N 1.33 -0.263 0 N-CA-C 107.789 -1.189 . . . . 0.0 107.789 -178.734 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 2.1 m -73.79 63.92 0.91 Allowed 'General case' 0 CA--C 1.536 0.407 0 C-N-CA 125.324 1.45 . . . . 0.0 111.4 -172.595 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 31' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.331 -0.228 0 O-C-N 121.484 -0.76 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 1' ' ' PCA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.321 0 N-CA-C 107.806 -1.183 . . . . 0.0 107.806 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 19.2 p -157.04 159.01 37.54 Favored 'General case' 0 N--CA 1.44 -0.97 0 N-CA-C 103.764 -2.68 . . . . 0.0 103.764 -176.345 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 85.5 mt-30 -67.05 -40.42 87.11 Favored 'General case' 0 C--N 1.325 -0.457 0 C-N-CA 122.909 0.484 . . . . 0.0 110.067 170.17 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 24.7 p -145.1 160.06 42.0 Favored 'General case' 0 N--CA 1.449 -0.49 0 C-N-CA 124.838 1.255 . . . . 0.0 109.949 -168.226 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 34.7 mt-30 -108.85 -25.21 10.9 Favored 'General case' 0 N--CA 1.45 -0.428 0 C-N-CA 125.558 1.543 . . . . 0.0 110.47 173.814 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 11.0 m -162.39 156.67 21.55 Favored 'General case' 0 C--O 1.222 -0.391 0 N-CA-C 108.467 -0.938 . . . . 0.0 108.467 -175.558 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 7.8 p -49.61 -32.6 7.06 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.511 0 N-CA-C 113.179 0.807 . . . . 0.0 113.179 -175.008 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 82.7 mtt85 -46.19 -42.44 14.08 Favored 'General case' 0 CA--C 1.535 0.393 0 C-N-CA 124.668 1.187 . . . . 0.0 112.81 172.894 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 64.2 m-20 -55.0 -52.56 62.73 Favored 'General case' 0 N--CA 1.447 -0.602 0 N-CA-C 108.17 -1.048 . . . . 0.0 108.17 174.665 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 10' ' ' CYS . . . . . 0.414 ' SG ' ' HB3' ' A' ' 17' ' ' PRO . 0.1 OUTLIER -61.11 -36.38 79.57 Favored 'General case' 0 C--O 1.219 -0.514 0 C-N-CA 118.709 -1.196 . . . . 0.0 112.277 174.746 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 39.3 mt-30 -57.42 -37.94 73.57 Favored 'General case' 0 CA--C 1.531 0.239 0 CA-C-N 120.153 1.342 . . . . 0.0 110.815 179.742 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -69.97 -28.44 65.54 Favored 'General case' 0 N--CA 1.446 -0.658 0 O-C-N 121.487 -0.758 . . . . 0.0 110.992 174.163 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 5.8 t80 -80.25 -34.63 36.95 Favored 'General case' 0 CA--C 1.539 0.553 0 C-N-CA 124.443 1.097 . . . . 0.0 113.48 -177.156 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 8.1 m -145.89 139.62 26.42 Favored 'General case' 0 CA--C 1.52 -0.197 0 C-N-CA 126.414 1.886 . . . . 0.0 108.899 -162.614 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 4.0 mm? -61.76 -42.75 99.39 Favored 'General case' 0 CA--C 1.531 0.221 0 N-CA-C 110.187 -0.301 . . . . 0.0 110.187 173.699 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 5.9 m -129.13 72.0 81.99 Favored Pre-proline 0 C--O 1.237 0.442 0 N-CA-C 112.115 0.413 . . . . 0.0 112.115 -172.064 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 17' ' ' PRO . . . . . 0.414 ' HB3' ' SG ' ' A' ' 10' ' ' CYS . 2.1 Cg_endo -66.46 173.85 7.11 Favored 'Trans proline' 0 N--CA 1.431 -2.155 0 CA-C-O 122.765 1.069 . . . . 0.0 113.287 -179.29 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 9.7 t70 -104.84 -61.96 1.4 Allowed 'General case' 0 N--CA 1.44 -0.959 0 CA-C-N 114.558 -1.201 . . . . 0.0 108.175 170.229 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -162.34 152.0 16.06 Favored 'General case' 0 N--CA 1.445 -0.684 0 N-CA-C 108.126 -1.064 . . . . 0.0 108.126 -175.932 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 52.4 t -77.58 110.92 12.8 Favored 'General case' 0 N--CA 1.448 -0.555 0 N-CA-C 105.711 -1.959 . . . . 0.0 105.711 146.009 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 2.1 m -152.62 142.4 22.0 Favored 'General case' 0 N--CA 1.449 -0.521 0 N-CA-C 108.8 -0.815 . . . . 0.0 108.8 -174.182 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 72.8 m-85 50.43 42.16 25.89 Favored 'General case' 0 CA--C 1.537 0.456 0 C-N-CA 123.773 0.829 . . . . 0.0 110.87 -170.346 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 55.48 18.34 15.11 Favored Glycine 0 CA--C 1.534 1.227 0 C-N-CA 124.145 0.879 . . . . 0.0 113.883 -178.288 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 56.6 m -123.46 136.44 54.59 Favored 'General case' 0 N--CA 1.45 -0.466 0 C-N-CA 126.589 1.956 . . . . 0.0 106.29 -174.13 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 25' ' ' CYS . . . . . . . . . . . . 0.261 0.0 OUTLIER -85.82 91.78 8.43 Favored 'General case' 0 CA--C 1.534 0.338 0 N-CA-C 107.338 -1.356 . . . . 0.0 107.338 174.342 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 13.5 m-85 -64.19 130.03 42.31 Favored 'General case' 0 N--CA 1.451 -0.375 0 N-CA-C 106.988 -1.486 . . . . 0.0 106.988 172.889 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 11.1 m -112.47 155.35 24.41 Favored 'General case' 0 CA--C 1.514 -0.419 0 CA-C-N 118.202 0.455 . . . . 0.0 110.462 166.264 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 19.4 pttm -117.15 29.96 7.59 Favored 'General case' 0 CA--C 1.536 0.431 0 O-C-N 123.856 0.723 . . . . 0.0 109.86 165.81 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 5.3 m -72.07 69.93 0.77 Allowed 'General case' 0 CA--C 1.535 0.367 0 C-N-CA 124.531 1.132 . . . . 0.0 109.674 177.902 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 9.8 t -159.2 -171.62 3.43 Favored 'General case' 0 N--CA 1.454 -0.248 0 C-N-CA 124.23 1.012 . . . . 0.0 108.551 178.659 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 31' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.33 -0.265 0 O-C-N 122.282 -0.261 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 1' ' ' PCA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.532 0.275 0 N-CA-C 109.979 -0.378 . . . . 0.0 109.979 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 1.5 m 81.77 139.6 0.07 Allowed 'General case' 0 CA--C 1.529 0.165 0 C-N-CA 125.925 1.69 . . . . 0.0 107.896 -160.932 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 77.0 mt-30 -59.18 -33.91 71.5 Favored 'General case' 0 CA--C 1.53 0.204 0 C-N-CA 122.366 0.267 . . . . 0.0 111.628 178.257 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 12.5 p -146.24 157.0 43.78 Favored 'General case' 0 N--CA 1.45 -0.432 0 C-N-CA 124.892 1.277 . . . . 0.0 108.664 -178.315 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 20.8 tt0 -90.59 -40.99 11.61 Favored 'General case' 0 N--CA 1.446 -0.648 0 C-N-CA 125.965 1.706 . . . . 0.0 108.098 171.733 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 13.1 m -162.97 170.29 18.32 Favored 'General case' 0 C--O 1.224 -0.289 0 N-CA-C 108.819 -0.808 . . . . 0.0 108.819 -170.299 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 7.6 p -50.64 -34.14 12.26 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.583 0 O-C-N 121.313 -0.867 . . . . 0.0 112.455 179.739 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 17.6 mtm105 -39.95 -45.12 1.82 Allowed 'General case' 0 N--CA 1.467 0.388 0 C-N-CA 125.627 1.571 . . . . 0.0 113.08 170.432 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 40.3 m-20 -61.74 -55.77 26.71 Favored 'General case' 0 N--CA 1.449 -0.52 0 C-N-CA 124.238 1.015 . . . . 0.0 108.655 178.965 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 10' ' ' CYS . . . . . 0.408 ' HB3' ' CB ' ' A' ' 17' ' ' PRO . 0.1 OUTLIER -59.9 -33.16 71.48 Favored 'General case' 0 C--O 1.218 -0.564 0 C-N-CA 118.898 -1.121 . . . . 0.0 111.809 178.737 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 40.9 mt-30 -59.71 -26.26 65.47 Favored 'General case' 0 CA--C 1.533 0.305 0 CA-C-N 120.147 1.339 . . . . 0.0 111.323 -179.226 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 33.9 mt-30 -78.79 -42.45 27.83 Favored 'General case' 0 CA--C 1.532 0.272 0 N-CA-C 109.43 -0.582 . . . . 0.0 109.43 173.071 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 27.3 t80 -65.15 -40.97 95.1 Favored 'General case' 0 CA--C 1.536 0.433 0 N-CA-C 113.722 1.008 . . . . 0.0 113.722 -177.576 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 14.0 m -136.64 139.73 42.25 Favored 'General case' 0 C--N 1.332 -0.189 0 C-N-CA 127.499 2.32 . . . . 0.0 108.791 -164.929 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -61.66 -47.77 83.85 Favored 'General case' 0 CA--C 1.534 0.34 0 N-CA-C 109.476 -0.565 . . . . 0.0 109.476 175.095 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 24.2 m -125.2 84.45 59.5 Favored Pre-proline 0 C--O 1.24 0.58 0 C-N-CA 123.553 0.741 . . . . 0.0 110.923 -178.958 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 17' ' ' PRO . . . . . 0.408 ' CB ' ' HB3' ' A' ' 10' ' ' CYS . 6.7 Cg_endo -69.22 161.36 46.17 Favored 'Trans proline' 0 N--CA 1.436 -1.899 0 C-N-CA 121.749 1.633 . . . . 0.0 113.045 172.245 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 25.7 t0 -93.84 -62.28 1.38 Allowed 'General case' 0 N--CA 1.45 -0.455 0 C-N-CA 125.205 1.402 . . . . 0.0 107.422 173.976 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 3.9 ptt180 -158.65 154.4 26.39 Favored 'General case' 0 N--CA 1.444 -0.767 0 C-N-CA 123.592 0.757 . . . . 0.0 110.058 -179.655 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 43.6 t -88.13 111.5 21.65 Favored 'General case' 0 C--N 1.332 -0.165 0 N-CA-C 105.528 -2.027 . . . . 0.0 105.528 150.787 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 3.0 m -163.08 153.44 16.21 Favored 'General case' 0 N--CA 1.45 -0.441 0 C-N-CA 123.536 0.734 . . . . 0.0 109.175 -168.965 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 8.9 t80 51.0 37.61 18.21 Favored 'General case' 0 CA--C 1.539 0.538 0 C-N-CA 123.407 0.683 . . . . 0.0 111.46 -179.839 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 53.58 40.38 62.55 Favored Glycine 0 CA--C 1.531 1.069 0 C-N-CA 124.054 0.835 . . . . 0.0 112.84 -175.785 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 17.1 m -152.36 146.84 25.66 Favored 'General case' 0 N--CA 1.455 -0.183 0 N-CA-C 107.803 -1.184 . . . . 0.0 107.803 -179.727 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 25' ' ' CYS . . . . . . . . . . . . 0.267 0.1 OUTLIER -94.75 92.88 7.2 Favored 'General case' 0 CA--C 1.534 0.336 0 CA-C-O 122.903 1.335 . . . . 0.0 108.023 173.209 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 7.6 m-85 -67.64 134.78 51.75 Favored 'General case' 0 N--CA 1.453 -0.314 0 C-N-CA 125.695 1.598 . . . . 0.0 107.641 177.367 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 26.7 m -110.33 144.67 38.72 Favored 'General case' 0 C--N 1.343 0.311 0 CA-C-N 118.89 0.768 . . . . 0.0 112.188 172.32 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 8.9 tttp -82.1 -56.45 3.93 Favored 'General case' 0 C--N 1.339 0.126 0 CA-C-O 121.088 0.47 . . . . 0.0 109.987 -163.261 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 12.9 t -154.61 30.75 0.42 Allowed 'General case' 0 CA--C 1.533 0.311 0 CA-C-O 121.897 0.856 . . . . 0.0 109.477 177.687 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 32.8 m -76.03 73.21 2.9 Favored 'General case' 0 CA--C 1.535 0.388 0 N-CA-C 108.268 -1.012 . . . . 0.0 108.268 174.255 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 31' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.332 -0.193 0 O-C-N 122.01 -0.431 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 1' ' ' PCA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.416 0 N-CA-C 108.832 -0.803 . . . . 0.0 108.832 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 10.8 m -113.16 -116.32 0.32 Allowed 'General case' 0 CA--C 1.531 0.223 0 N-CA-C 106.477 -1.675 . . . . 0.0 106.477 169.029 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 82.2 mt-30 -53.12 -41.42 65.01 Favored 'General case' 0 CA--C 1.531 0.243 0 CA-C-N 118.527 0.603 . . . . 0.0 110.0 162.714 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 9.0 p -139.83 164.2 30.6 Favored 'General case' 0 N--CA 1.449 -0.486 0 C-N-CA 126.396 1.878 . . . . 0.0 108.729 -174.938 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 24.9 tt0 -101.44 -37.16 8.56 Favored 'General case' 0 N--CA 1.451 -0.398 0 C-N-CA 125.838 1.655 . . . . 0.0 109.452 169.591 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 1.8 p -154.19 172.87 16.91 Favored 'General case' 0 CA--C 1.511 -0.525 0 CA-C-O 122.057 0.932 . . . . 0.0 110.759 179.368 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 9.9 p -51.47 -35.38 16.52 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.691 0 CA-C-N 115.263 -0.88 . . . . 0.0 111.767 -176.65 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 99.2 mtt180 -51.12 -41.19 59.88 Favored 'General case' 0 CA--C 1.533 0.298 0 C-N-CA 125.436 1.495 . . . . 0.0 112.81 176.758 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 35.2 m-20 -56.06 -52.63 63.59 Favored 'General case' 0 N--CA 1.45 -0.452 0 N-CA-C 108.191 -1.04 . . . . 0.0 108.191 173.908 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 10' ' ' CYS . . . . . 0.409 ' HB3' ' CB ' ' A' ' 17' ' ' PRO . 0.1 OUTLIER -62.36 -33.13 74.12 Favored 'General case' 0 C--O 1.216 -0.684 0 C-N-CA 118.709 -1.197 . . . . 0.0 111.75 177.15 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 40.7 mt-30 -59.71 -28.28 67.19 Favored 'General case' 0 CA--C 1.534 0.347 0 CA-C-N 120.34 1.427 . . . . 0.0 110.798 -179.097 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 34.2 mt-30 -73.2 -44.93 58.97 Favored 'General case' 0 CA--C 1.533 0.32 0 O-C-N 122.011 -0.431 . . . . 0.0 110.027 170.719 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 23.1 t80 -64.2 -37.72 88.49 Favored 'General case' 0 CA--C 1.537 0.455 0 N-CA-C 114.023 1.12 . . . . 0.0 114.023 -176.714 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 19.8 m -141.62 138.86 32.87 Favored 'General case' 0 C--N 1.332 -0.182 0 C-N-CA 127.889 2.476 . . . . 0.0 108.075 -164.126 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -63.4 -44.8 93.61 Favored 'General case' 0 CA--C 1.535 0.397 0 N-CA-C 109.903 -0.406 . . . . 0.0 109.903 176.999 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 23.4 m -127.03 79.96 72.21 Favored Pre-proline 0 CA--C 1.536 0.425 0 C-N-CA 123.413 0.685 . . . . 0.0 111.902 -178.979 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 17' ' ' PRO . . . . . 0.409 ' CB ' ' HB3' ' A' ' 10' ' ' CYS . 6.9 Cg_endo -64.0 158.83 45.45 Favored 'Trans proline' 0 N--CA 1.434 -1.992 0 C-N-CA 122.117 1.878 . . . . 0.0 112.448 173.286 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 29.7 t0 -87.37 -61.43 1.72 Allowed 'General case' 0 N--CA 1.446 -0.636 0 N-CA-C 106.227 -1.768 . . . . 0.0 106.227 171.79 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -162.51 153.12 17.02 Favored 'General case' 0 N--CA 1.449 -0.484 0 N-CA-C 109.151 -0.685 . . . . 0.0 109.151 -177.007 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 52.6 t -83.76 111.46 19.19 Favored 'General case' 0 N--CA 1.454 -0.238 0 N-CA-C 105.498 -2.038 . . . . 0.0 105.498 146.359 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 3.1 m -159.56 153.57 23.34 Favored 'General case' 0 N--CA 1.45 -0.472 0 N-CA-C 108.256 -1.016 . . . . 0.0 108.256 -171.977 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 16.3 t80 50.83 37.73 17.9 Favored 'General case' 0 CA--C 1.539 0.538 0 CA-C-O 121.488 0.661 . . . . 0.0 111.487 -178.026 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 51.92 41.75 52.56 Favored Glycine 0 CA--C 1.532 1.103 0 C-N-CA 123.638 0.637 . . . . 0.0 112.238 -174.695 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 4.5 m -152.78 139.63 19.03 Favored 'General case' 0 N--CA 1.453 -0.276 0 O-C-N 121.484 -1.01 . . . . 0.0 108.468 -174.49 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 25' ' ' CYS . . . . . . . . . . . . 0.28 0.0 OUTLIER -92.48 90.75 7.31 Favored 'General case' 0 CA--C 1.535 0.403 0 CA-C-O 122.99 1.376 . . . . 0.0 108.305 176.318 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 66.5 m-85 -72.61 139.79 47.62 Favored 'General case' 0 N--CA 1.452 -0.347 0 C-N-CA 125.931 1.692 . . . . 0.0 108.972 178.852 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 20.6 m -126.55 149.37 49.45 Favored 'General case' 0 C--N 1.344 0.341 0 C-N-CA 123.748 0.819 . . . . 0.0 112.501 177.596 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 85.7 mttt -81.71 40.12 0.58 Allowed 'General case' 0 CA--C 1.536 0.419 0 CA-C-O 120.924 0.392 . . . . 0.0 110.557 -179.695 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 11.3 p -81.3 69.82 8.01 Favored 'General case' 0 N--CA 1.45 -0.437 0 N-CA-C 108.394 -0.965 . . . . 0.0 108.394 -176.568 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 8.8 t -164.17 -171.28 2.36 Favored 'General case' 0 N--CA 1.453 -0.305 0 C-N-CA 124.802 1.241 . . . . 0.0 108.1 179.111 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 31' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.328 -0.344 0 O-C-N 122.299 -0.251 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 1' ' ' PCA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.533 0.312 0 N-CA-C 110.031 -0.359 . . . . 0.0 110.031 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 26.8 p -144.14 103.56 4.02 Favored 'General case' 0 N--CA 1.453 -0.275 0 C-N-CA 123.82 0.848 . . . . 0.0 109.081 -173.308 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 86.6 mt-30 -57.85 -37.55 74.1 Favored 'General case' 0 CA--C 1.529 0.135 0 CA-C-O 121.098 0.475 . . . . 0.0 109.926 163.072 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 19.2 p -139.5 153.89 47.59 Favored 'General case' 0 N--CA 1.448 -0.568 0 C-N-CA 125.649 1.58 . . . . 0.0 109.156 -172.837 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 76.5 mt-30 -98.77 -31.67 11.76 Favored 'General case' 0 N--CA 1.449 -0.485 0 C-N-CA 125.404 1.482 . . . . 0.0 109.118 171.717 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 1.9 p -157.69 174.52 15.21 Favored 'General case' 0 CA--C 1.509 -0.616 0 CA-C-O 122.172 0.987 . . . . 0.0 110.435 179.085 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 9.3 p -51.55 -35.13 16.51 Favored 'Isoleucine or valine' 0 N--CA 1.443 -0.805 0 CA-C-N 114.881 -1.054 . . . . 0.0 111.422 -179.173 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 99.5 mtt180 -42.06 -50.16 4.7 Favored 'General case' 0 CA--C 1.534 0.343 0 C-N-CA 126.121 1.769 . . . . 0.0 112.574 172.256 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 33.1 m-20 -58.27 -51.32 70.28 Favored 'General case' 0 N--CA 1.447 -0.621 0 C-N-CA 124.092 0.957 . . . . 0.0 108.493 -179.692 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 10' ' ' CYS . . . . . 0.463 ' SG ' ' HB3' ' A' ' 17' ' ' PRO . 0.3 OUTLIER -60.67 -38.7 85.79 Favored 'General case' 0 C--O 1.22 -0.478 0 C-N-CA 118.604 -1.239 . . . . 0.0 111.087 176.015 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 41.3 mt-30 -58.1 -38.39 76.34 Favored 'General case' 0 N--CA 1.463 0.184 0 CA-C-N 119.663 1.12 . . . . 0.0 110.004 -179.074 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -60.08 -43.24 95.63 Favored 'General case' 0 CA--C 1.534 0.352 0 O-C-N 121.96 -0.462 . . . . 0.0 110.638 172.877 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 26.0 m-85 -80.14 -22.13 42.39 Favored 'General case' 0 CA--C 1.543 0.71 0 N-CA-C 114.782 1.401 . . . . 0.0 114.782 -176.695 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 24.4 m -150.06 135.85 18.48 Favored 'General case' 0 N--CA 1.463 0.199 0 C-N-CA 125.486 1.514 . . . . 0.0 109.205 -165.436 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 4.0 mm? -63.36 -42.03 98.87 Favored 'General case' 0 CA--C 1.533 0.307 0 CA-C-O 119.563 -0.256 . . . . 0.0 110.749 177.372 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 19.1 m -128.53 78.77 75.33 Favored Pre-proline 0 CA--C 1.535 0.403 0 C-N-CA 123.091 0.556 . . . . 0.0 111.91 -177.64 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 17' ' ' PRO . . . . . 0.463 ' HB3' ' SG ' ' A' ' 10' ' ' CYS . 1.5 Cg_endo -64.46 153.22 78.2 Favored 'Trans proline' 0 N--CA 1.433 -2.041 0 C-N-CA 120.849 1.032 . . . . 0.0 113.372 176.619 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 30.7 t0 -78.69 -60.67 2.28 Favored 'General case' 0 N--CA 1.447 -0.58 0 N-CA-C 106.314 -1.735 . . . . 0.0 106.314 169.526 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 1.2 ptt85 -162.21 160.75 27.39 Favored 'General case' 0 N--CA 1.451 -0.382 0 N-CA-C 108.553 -0.906 . . . . 0.0 108.553 -177.756 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 43.3 t -89.0 118.15 28.52 Favored 'General case' 0 N--CA 1.454 -0.263 0 N-CA-C 105.25 -2.13 . . . . 0.0 105.25 143.453 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 2.1 m -158.64 144.99 17.08 Favored 'General case' 0 N--CA 1.45 -0.451 0 CA-C-N 118.837 0.744 . . . . 0.0 108.998 -171.601 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 94.8 m-85 49.29 43.77 23.15 Favored 'General case' 0 CA--C 1.537 0.452 0 C-N-CA 123.501 0.72 . . . . 0.0 111.309 -173.857 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 53.95 22.46 19.94 Favored Glycine 0 CA--C 1.532 1.142 0 C-N-CA 123.97 0.795 . . . . 0.0 113.538 -177.991 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 60.9 m -128.08 136.47 51.25 Favored 'General case' 0 N--CA 1.451 -0.415 0 C-N-CA 126.154 1.782 . . . . 0.0 107.035 -173.592 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -88.31 116.5 26.56 Favored 'General case' 0 CA--C 1.534 0.339 0 N-CA-C 107.033 -1.469 . . . . 0.0 107.033 170.758 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 48.9 m-85 -103.05 138.49 39.83 Favored 'General case' 0 N--CA 1.452 -0.355 0 C-N-CA 126.938 2.095 . . . . 0.0 107.321 -177.98 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 27.3 m -122.84 139.23 54.24 Favored 'General case' 0 C--N 1.343 0.293 0 CA-C-N 118.851 0.75 . . . . 0.0 112.649 -178.478 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 9.9 mmtp -76.67 69.33 3.05 Favored 'General case' 0 N--CA 1.455 -0.195 0 N-CA-C 107.18 -1.415 . . . . 0.0 107.18 171.957 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 7.2 m -153.27 58.62 0.77 Allowed 'General case' 0 N--CA 1.454 -0.229 0 N-CA-C 107.532 -1.285 . . . . 0.0 107.532 -176.765 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 1.3 m -72.27 63.63 0.54 Allowed 'General case' 0 CA--C 1.536 0.412 0 C-N-CA 125.779 1.632 . . . . 0.0 112.133 -170.169 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 31' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.332 -0.181 0 O-C-N 121.23 -0.919 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 1' ' ' PCA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.533 0.309 0 N-CA-C 110.142 -0.318 . . . . 0.0 110.142 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 7.6 m -113.28 -118.7 0.31 Allowed 'General case' 0 CA--C 1.529 0.137 0 N-CA-C 107.722 -1.214 . . . . 0.0 107.722 -178.807 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 81.3 mt-30 -57.94 -32.43 67.8 Favored 'General case' 0 CA--C 1.531 0.238 0 CA-C-N 119.149 0.886 . . . . 0.0 109.994 163.604 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 9.5 p -154.81 170.11 22.39 Favored 'General case' 0 N--CA 1.445 -0.694 0 C-N-CA 126.46 1.904 . . . . 0.0 107.556 -174.8 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 6.8 tt0 -107.26 -34.92 6.96 Favored 'General case' 0 N--CA 1.451 -0.391 0 C-N-CA 127.098 2.159 . . . . 0.0 109.81 169.333 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 25.3 m -157.48 161.13 38.86 Favored 'General case' 0 C--O 1.224 -0.269 0 O-C-N 121.476 -0.765 . . . . 0.0 109.397 -175.491 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 9.2 p -52.24 -33.3 16.85 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.558 0 O-C-N 121.204 -0.935 . . . . 0.0 112.528 -174.447 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -27.18 -51.31 0.06 Allowed 'General case' 0 CA--C 1.536 0.424 0 C-N-CA 127.932 2.493 . . . . 0.0 112.912 162.197 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 69.3 m-20 -71.85 -49.97 33.64 Favored 'General case' 0 N--CA 1.445 -0.691 0 C-N-CA 126.85 2.06 . . . . 0.0 108.962 -173.744 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 10' ' ' CYS . . . . . 0.412 ' SG ' ' HB3' ' A' ' 17' ' ' PRO . 0.2 OUTLIER -58.7 -31.19 68.02 Favored 'General case' 0 C--O 1.219 -0.539 0 C-N-CA 118.156 -1.417 . . . . 0.0 110.781 173.667 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 41.4 mt-30 -63.54 -15.36 57.76 Favored 'General case' 0 CA--C 1.54 0.572 0 CA-C-N 120.34 1.427 . . . . 0.0 112.05 179.87 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 33.9 mt-30 -80.14 -49.1 12.17 Favored 'General case' 0 C--N 1.342 0.28 0 CA-C-N 119.233 0.924 . . . . 0.0 110.007 162.776 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 23.7 t80 -62.42 -37.8 87.23 Favored 'General case' 0 CA--C 1.538 0.493 0 N-CA-C 113.783 1.031 . . . . 0.0 113.783 -170.249 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 16.8 m -136.52 143.83 43.94 Favored 'General case' 0 C--N 1.331 -0.209 0 C-N-CA 127.653 2.381 . . . . 0.0 108.303 -168.341 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -63.16 -47.89 80.73 Favored 'General case' 0 CA--C 1.535 0.372 0 N-CA-C 109.186 -0.672 . . . . 0.0 109.186 174.677 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 6.8 m -126.93 78.13 74.21 Favored Pre-proline 0 CA--C 1.533 0.321 0 C-N-CA 123.412 0.685 . . . . 0.0 111.691 -175.728 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 17' ' ' PRO . . . . . 0.412 ' HB3' ' SG ' ' A' ' 10' ' ' CYS . 5.3 Cg_endo -64.81 158.95 48.09 Favored 'Trans proline' 0 N--CA 1.434 -1.975 0 C-N-CA 121.667 1.578 . . . . 0.0 112.821 176.244 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 28.5 t0 -89.32 -61.89 1.6 Allowed 'General case' 0 N--CA 1.447 -0.586 0 N-CA-C 106.13 -1.804 . . . . 0.0 106.13 172.445 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 1.3 ptt85 -163.44 152.93 14.88 Favored 'General case' 0 N--CA 1.45 -0.463 0 N-CA-C 108.77 -0.826 . . . . 0.0 108.77 -177.862 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 45.3 t -80.78 110.93 16.76 Favored 'General case' 0 N--CA 1.454 -0.268 0 N-CA-C 105.657 -1.979 . . . . 0.0 105.657 147.12 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 2.8 m -158.51 145.5 17.6 Favored 'General case' 0 N--CA 1.448 -0.547 0 N-CA-C 108.323 -0.991 . . . . 0.0 108.323 -173.261 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 23.5 t80 54.77 40.23 31.82 Favored 'General case' 0 CA--C 1.539 0.524 0 CA-C-O 121.349 0.595 . . . . 0.0 110.948 -178.849 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 59.73 10.93 14.4 Favored Glycine 0 CA--C 1.537 1.458 0 C-N-CA 124.364 0.983 . . . . 0.0 114.294 -177.231 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 39.7 m -120.81 134.91 55.28 Favored 'General case' 0 N--CA 1.45 -0.452 0 C-N-CA 126.194 1.798 . . . . 0.0 107.572 -170.876 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 25' ' ' CYS . . . . . . . . . . . . 0.296 0.1 OUTLIER -88.68 85.37 6.78 Favored 'General case' 0 CA--C 1.534 0.358 0 CA-C-O 123.165 1.459 . . . . 0.0 107.313 171.402 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 58.2 m-85 -65.21 141.31 58.69 Favored 'General case' 0 N--CA 1.454 -0.246 0 C-N-CA 125.614 1.565 . . . . 0.0 108.637 179.388 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 28.2 m -128.43 137.1 51.69 Favored 'General case' 0 C--N 1.345 0.371 0 N-CA-C 113.517 0.932 . . . . 0.0 113.517 -179.659 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 10.2 mmtp -69.93 -7.62 42.01 Favored 'General case' 0 CA--C 1.532 0.286 0 C-N-CA 123.183 0.593 . . . . 0.0 111.701 179.277 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 3.3 p -62.47 -13.52 31.13 Favored 'General case' 0 N--CA 1.452 -0.33 0 C-N-CA 123.38 0.672 . . . . 0.0 112.767 165.683 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 15.9 m -70.06 70.36 0.36 Allowed 'General case' 0 CA--C 1.536 0.41 0 C-N-CA 123.736 0.814 . . . . 0.0 109.328 169.704 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 31' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.331 -0.205 0 O-C-N 121.566 -0.709 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 1' ' ' PCA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.327 0 N-CA-C 108.008 -1.108 . . . . 0.0 108.008 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 24.8 p -153.23 142.55 21.58 Favored 'General case' 0 N--CA 1.444 -0.755 0 N-CA-C 104.714 -2.328 . . . . 0.0 104.714 179.791 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 87.4 mt-30 -64.23 -44.3 92.29 Favored 'General case' 0 C--N 1.327 -0.401 0 C-N-CA 123.535 0.734 . . . . 0.0 109.946 169.906 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 6.6 p -131.03 142.78 50.35 Favored 'General case' 0 CA--C 1.514 -0.419 0 C-N-CA 125.201 1.4 . . . . 0.0 109.892 -169.781 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 31.9 mt-30 -75.95 -32.44 59.55 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.056 -0.974 . . . . 0.0 110.041 175.8 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 4.4 m -173.9 170.68 3.84 Favored 'General case' 0 N--CA 1.457 -0.11 0 C-N-CA 126.287 1.835 . . . . 0.0 106.721 -173.308 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 8.5 p -48.57 -37.92 8.81 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.373 0 C-N-CA 123.744 0.818 . . . . 0.0 112.382 -177.476 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 2.1 mpt_? -43.76 -44.32 6.61 Favored 'General case' 0 CA--C 1.533 0.289 0 C-N-CA 124.761 1.224 . . . . 0.0 112.112 173.66 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -64.19 -45.55 87.85 Favored 'General case' 0 N--CA 1.45 -0.437 0 O-C-N 121.835 -0.541 . . . . 0.0 109.84 -179.663 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 10' ' ' CYS . . . . . 0.429 ' SG ' ' HB3' ' A' ' 17' ' ' PRO . 0.5 OUTLIER -60.73 -35.18 75.71 Favored 'General case' 0 C--O 1.219 -0.517 0 C-N-CA 117.745 -1.582 . . . . 0.0 110.64 172.049 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 40.8 mt-30 -60.17 -35.01 74.39 Favored 'General case' 0 CA--C 1.534 0.334 0 CA-C-N 120.016 1.28 . . . . 0.0 110.35 178.72 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 31.5 mt-30 -57.61 -44.84 85.77 Favored 'General case' 0 CA--C 1.537 0.448 0 O-C-N 121.797 -0.564 . . . . 0.0 110.017 169.325 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 2.8 t80 -73.98 -33.2 63.75 Favored 'General case' 0 CA--C 1.54 0.563 0 C-N-CA 124.857 1.263 . . . . 0.0 114.121 -173.382 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 23.2 m -147.75 139.43 23.91 Favored 'General case' 0 C--O 1.225 -0.196 0 C-N-CA 126.001 1.72 . . . . 0.0 109.178 -159.716 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -59.66 -49.58 77.2 Favored 'General case' 0 CA--C 1.535 0.391 0 N-CA-C 109.771 -0.455 . . . . 0.0 109.771 176.251 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 5.7 m -128.75 77.48 77.53 Favored Pre-proline 0 CA--C 1.534 0.363 0 C-N-CA 123.271 0.628 . . . . 0.0 112.057 -174.498 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 17' ' ' PRO . . . . . 0.429 ' HB3' ' SG ' ' A' ' 10' ' ' CYS . 1.0 OUTLIER -62.56 147.84 94.22 Favored 'Trans proline' 0 N--CA 1.436 -1.854 0 C-N-CA 121.884 1.723 . . . . 0.0 112.353 176.651 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 25.1 t0 -71.79 -57.91 3.93 Favored 'General case' 0 N--CA 1.449 -0.494 0 N-CA-C 106.505 -1.665 . . . . 0.0 106.505 169.493 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -161.96 162.0 28.84 Favored 'General case' 0 N--CA 1.452 -0.36 0 N-CA-C 109.15 -0.685 . . . . 0.0 109.15 -177.368 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 54.0 t -92.99 120.05 32.89 Favored 'General case' 0 N--CA 1.456 -0.171 0 N-CA-C 104.886 -2.265 . . . . 0.0 104.886 141.589 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 2.2 m -161.12 143.81 12.53 Favored 'General case' 0 N--CA 1.451 -0.396 0 N-CA-C 108.271 -1.011 . . . . 0.0 108.271 -170.439 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 48.4 t80 51.17 43.09 29.33 Favored 'General case' 0 CA--C 1.538 0.502 0 CA-C-O 121.476 0.655 . . . . 0.0 110.921 -175.875 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 54.24 21.78 19.98 Favored Glycine 0 CA--C 1.534 1.23 0 C-N-CA 124.152 0.882 . . . . 0.0 113.85 -177.731 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 63.8 m -128.39 136.4 50.84 Favored 'General case' 0 N--CA 1.452 -0.357 0 C-N-CA 125.962 1.705 . . . . 0.0 107.133 -172.737 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -92.21 117.43 29.87 Favored 'General case' 0 CA--C 1.53 0.194 0 N-CA-C 107.151 -1.426 . . . . 0.0 107.151 172.86 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 50.5 m-85 -109.13 138.86 44.82 Favored 'General case' 0 N--CA 1.452 -0.338 0 C-N-CA 127.016 2.126 . . . . 0.0 107.583 -172.914 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 22.3 m -128.78 145.34 51.21 Favored 'General case' 0 C--N 1.343 0.286 0 C-N-CA 123.731 0.813 . . . . 0.0 112.333 -176.566 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 2.9 mmpt? -73.82 56.66 0.57 Allowed 'General case' 0 CA--C 1.535 0.366 0 C-N-CA 126.067 1.747 . . . . 0.0 110.758 -175.724 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 2.6 p -83.36 45.83 1.08 Allowed 'General case' 0 N--CA 1.45 -0.454 0 C-N-CA 126.328 1.851 . . . . 0.0 110.013 -173.661 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 4.7 m -79.9 63.74 4.53 Favored 'General case' 0 CA--C 1.533 0.327 0 C-N-CA 124.172 0.989 . . . . 0.0 110.197 -172.175 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 31' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.331 -0.22 0 O-C-N 121.813 -0.555 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 1' ' ' PCA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.404 0 N-CA-C 110.203 -0.295 . . . . 0.0 110.203 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 25.3 m -103.21 -113.63 0.22 Allowed 'General case' 0 CA--C 1.528 0.105 0 N-CA-C 106.709 -1.589 . . . . 0.0 106.709 167.091 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 80.4 mt-30 -58.21 -40.77 82.46 Favored 'General case' 0 CA--C 1.529 0.16 0 CA-C-N 118.949 0.795 . . . . 0.0 109.32 162.992 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 4.6 p -132.72 154.44 50.19 Favored 'General case' 0 N--CA 1.448 -0.541 0 C-N-CA 126.198 1.799 . . . . 0.0 109.73 -173.664 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 7.4 tt0 -79.26 -42.78 25.09 Favored 'General case' 0 CA--C 1.532 0.271 0 C-N-CA 124.976 1.31 . . . . 0.0 110.323 165.717 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 20.7 m -166.61 175.11 8.2 Favored 'General case' 0 CA--C 1.53 0.209 0 C-N-CA 126.023 1.729 . . . . 0.0 107.147 -173.523 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 8.5 p -54.84 -35.83 35.14 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.498 0 CA-C-N 118.998 0.817 . . . . 0.0 112.312 -177.274 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 3.7 mpt_? -51.51 -34.79 37.63 Favored 'General case' 0 CA--C 1.533 0.306 0 C-N-CA 123.842 0.857 . . . . 0.0 112.025 172.876 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -63.37 -53.57 50.35 Favored 'General case' 0 N--CA 1.453 -0.284 0 N-CA-C 108.384 -0.969 . . . . 0.0 108.384 173.987 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 10' ' ' CYS . . . . . 0.454 ' SG ' ' HB3' ' A' ' 17' ' ' PRO . 0.5 OUTLIER -55.67 -33.28 63.97 Favored 'General case' 0 C--O 1.221 -0.431 0 C-N-CA 117.924 -1.511 . . . . 0.0 111.478 178.455 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 38.1 mt-30 -56.38 -31.48 63.88 Favored 'General case' 0 CA--C 1.539 0.547 0 CA-C-N 119.189 0.904 . . . . 0.0 112.133 178.778 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 11.2 pt20 -79.04 -34.72 43.58 Favored 'General case' 0 N--CA 1.445 -0.719 0 CA-C-N 120.046 1.294 . . . . 0.0 111.249 172.318 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 77.5 m-85 -69.58 -30.69 68.53 Favored 'General case' 0 CA--C 1.543 0.681 0 N-CA-C 113.816 1.043 . . . . 0.0 113.816 176.76 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 18.4 m -147.46 138.34 23.53 Favored 'General case' 0 N--CA 1.463 0.176 0 C-N-CA 125.197 1.399 . . . . 0.0 109.607 -161.383 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 5.6 mp -69.72 -23.96 63.49 Favored 'General case' 0 CA--C 1.533 0.326 0 C-N-CA 122.753 0.421 . . . . 0.0 111.958 177.815 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 11.7 m -148.09 75.83 10.57 Favored Pre-proline 0 C--O 1.236 0.35 0 O-C-N 121.242 -0.911 . . . . 0.0 111.482 178.353 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 17' ' ' PRO . . . . . 0.454 ' HB3' ' SG ' ' A' ' 10' ' ' CYS . 4.8 Cg_endo -64.06 153.15 77.73 Favored 'Trans proline' 0 N--CA 1.432 -2.116 0 C-N-CA 122.148 1.899 . . . . 0.0 112.17 177.082 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 28.8 t0 -83.08 -61.45 1.85 Allowed 'General case' 0 N--CA 1.445 -0.709 0 N-CA-C 106.677 -1.601 . . . . 0.0 106.677 169.946 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 1.4 ptt85 -163.06 153.1 15.89 Favored 'General case' 0 N--CA 1.45 -0.472 0 N-CA-C 109.272 -0.64 . . . . 0.0 109.272 -176.867 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 43.2 t -81.29 109.46 15.82 Favored 'General case' 0 N--CA 1.453 -0.282 0 N-CA-C 105.591 -2.003 . . . . 0.0 105.591 147.335 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 2.8 m -155.75 141.93 18.36 Favored 'General case' 0 N--CA 1.447 -0.586 0 N-CA-C 108.894 -0.78 . . . . 0.0 108.894 -172.975 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 16.7 t80 52.04 43.13 30.66 Favored 'General case' 0 CA--C 1.538 0.516 0 CA-C-O 121.549 0.69 . . . . 0.0 110.787 -175.428 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 59.5 9.62 9.52 Favored Glycine 0 CA--C 1.536 1.356 0 C-N-CA 124.465 1.031 . . . . 0.0 114.483 -178.005 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 33.3 m -116.36 132.14 56.75 Favored 'General case' 0 N--CA 1.448 -0.534 0 C-N-CA 126.031 1.732 . . . . 0.0 107.322 -172.316 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 25' ' ' CYS . . . . . . . . . . . . 0.282 0.0 OUTLIER -87.16 85.49 7.21 Favored 'General case' 0 CA--C 1.533 0.313 0 CA-C-O 123.245 1.498 . . . . 0.0 107.107 172.506 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 56.2 m-85 -64.84 136.63 57.09 Favored 'General case' 0 N--CA 1.451 -0.401 0 C-N-CA 125.124 1.37 . . . . 0.0 108.652 178.48 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 11.6 m -129.39 146.06 51.31 Favored 'General case' 0 CA--C 1.518 -0.286 0 C-N-CA 124.361 1.064 . . . . 0.0 110.476 175.887 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 91.4 mttt -80.42 48.19 1.01 Allowed 'General case' 0 CA--C 1.534 0.332 0 CA-C-O 121.041 0.448 . . . . 0.0 111.072 -176.636 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 13.2 t -83.79 57.98 4.4 Favored 'General case' 0 CA--C 1.535 0.395 0 N-CA-C 108.384 -0.969 . . . . 0.0 108.384 177.034 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 10.1 t -170.83 -172.47 1.17 Allowed 'General case' 0 CA--C 1.532 0.255 0 C-N-CA 124.766 1.227 . . . . 0.0 107.724 -175.714 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 31' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.33 -0.278 0 O-C-N 122.141 -0.35 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 1' ' ' PCA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.29 0 CA-C-O 119.775 -0.155 . . . . 0.0 111.359 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 2.4 m -110.49 -133.05 0.33 Allowed 'General case' 0 CA--C 1.533 0.3 0 N-CA-C 107.023 -1.473 . . . . 0.0 107.023 175.153 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 79.4 mt-30 -66.14 -34.62 78.47 Favored 'General case' 0 N--CA 1.463 0.175 0 CA-C-N 120.123 1.329 . . . . 0.0 110.264 171.093 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 23.4 p -157.18 167.01 31.63 Favored 'General case' 0 N--CA 1.449 -0.487 0 C-N-CA 124.776 1.23 . . . . 0.0 108.684 -172.502 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 38.8 mt-30 -115.01 -26.59 7.67 Favored 'General case' 0 N--CA 1.451 -0.376 0 C-N-CA 126.051 1.74 . . . . 0.0 110.983 169.694 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 14.2 m -160.64 156.42 25.55 Favored 'General case' 0 C--O 1.224 -0.239 0 CA-C-N 119.522 1.055 . . . . 0.0 108.684 -175.748 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 8.5 p -46.18 -37.86 3.02 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.419 0 N-CA-C 113.639 0.977 . . . . 0.0 113.639 -171.512 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 94.6 mtt-85 -45.14 -43.34 9.8 Favored 'General case' 0 CA--C 1.533 0.32 0 C-N-CA 125.049 1.339 . . . . 0.0 113.105 175.232 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 69.2 m-20 -54.25 -53.88 47.69 Favored 'General case' 0 N--CA 1.447 -0.608 0 C-N-CA 124.213 1.005 . . . . 0.0 108.449 175.545 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 10' ' ' CYS . . . . . 0.436 ' SG ' ' HB3' ' A' ' 17' ' ' PRO . 0.5 OUTLIER -64.32 -32.9 74.68 Favored 'General case' 0 C--O 1.216 -0.66 0 C-N-CA 118.629 -1.228 . . . . 0.0 111.66 176.563 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 43.7 mt-30 -59.13 -33.52 70.97 Favored 'General case' 0 N--CA 1.465 0.313 0 CA-C-N 120.705 1.593 . . . . 0.0 110.204 -179.785 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -65.87 -42.66 90.06 Favored 'General case' 0 CA--C 1.536 0.405 0 O-C-N 121.988 -0.445 . . . . 0.0 110.289 170.459 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 7.1 t80 -71.41 -35.21 70.91 Favored 'General case' 0 CA--C 1.542 0.652 0 N-CA-C 114.921 1.452 . . . . 0.0 114.921 -174.494 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 6.6 m -143.61 146.48 33.32 Favored 'General case' 0 N--CA 1.465 0.321 0 C-N-CA 126.718 2.007 . . . . 0.0 109.761 -161.236 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -64.1 -54.0 40.83 Favored 'General case' 0 CA--C 1.533 0.32 0 N-CA-C 109.878 -0.416 . . . . 0.0 109.878 178.885 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 20.2 m -127.41 82.98 67.23 Favored Pre-proline 0 C--N 1.342 0.251 0 CA-C-N 117.944 0.338 . . . . 0.0 110.842 179.803 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 17' ' ' PRO . . . . . 0.436 ' HB3' ' SG ' ' A' ' 10' ' ' CYS . 2.2 Cg_endo -60.93 143.03 99.26 Favored 'Trans proline' 0 N--CA 1.434 -1.998 0 C-N-CA 121.372 1.382 . . . . 0.0 112.462 175.949 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 22.7 t0 -70.27 -58.64 3.54 Favored 'General case' 0 N--CA 1.449 -0.5 0 N-CA-C 106.358 -1.719 . . . . 0.0 106.358 170.286 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -163.84 154.69 15.85 Favored 'General case' 0 N--CA 1.45 -0.475 0 N-CA-C 108.867 -0.79 . . . . 0.0 108.867 -177.193 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 51.0 t -83.0 116.37 22.24 Favored 'General case' 0 N--CA 1.454 -0.26 0 N-CA-C 105.58 -2.007 . . . . 0.0 105.58 143.774 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 2.2 m -160.35 144.18 13.96 Favored 'General case' 0 N--CA 1.45 -0.466 0 N-CA-C 107.73 -1.211 . . . . 0.0 107.73 -174.054 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 29.9 t80 55.76 36.87 28.08 Favored 'General case' 0 CA--C 1.539 0.557 0 CA-C-N 118.481 0.582 . . . . 0.0 110.854 -176.125 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 54.38 19.42 12.56 Favored Glycine 0 CA--C 1.535 1.298 0 C-N-CA 124.467 1.032 . . . . 0.0 113.759 -175.159 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 60.8 m -122.23 134.75 54.69 Favored 'General case' 0 N--CA 1.45 -0.472 0 C-N-CA 126.817 2.047 . . . . 0.0 106.709 -173.456 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 25' ' ' CYS . . . . . . . . . . . . 0.256 0.0 OUTLIER -92.78 91.78 7.64 Favored 'General case' 0 CA--C 1.535 0.392 0 N-CA-C 107.351 -1.351 . . . . 0.0 107.351 176.625 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 52.0 m-85 -78.47 140.54 38.61 Favored 'General case' 0 N--CA 1.454 -0.255 0 C-N-CA 126.003 1.721 . . . . 0.0 108.843 -177.289 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 33.7 m -127.17 126.52 42.99 Favored 'General case' 0 C--N 1.346 0.415 0 N-CA-C 115.342 1.608 . . . . 0.0 115.342 -173.557 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 19.3 mmtp -81.72 59.69 4.32 Favored 'General case' 0 CA--C 1.532 0.269 0 N-CA-C 106.657 -1.609 . . . . 0.0 106.657 162.794 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 17.7 m -150.04 56.1 0.95 Allowed 'General case' 0 CA--C 1.53 0.192 0 N-CA-C 107.404 -1.332 . . . . 0.0 107.404 -179.302 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 12.6 p -92.4 -67.96 0.83 Allowed 'General case' 0 N--CA 1.451 -0.381 0 C-N-CA 125.113 1.365 . . . . 0.0 108.733 179.928 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 31' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.332 -0.16 0 CA-C-N 116.278 -0.419 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 1' ' ' PCA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 0.243 0 CA-C-O 119.701 -0.19 . . . . 0.0 110.688 . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 1.7 m 81.62 143.3 0.07 Allowed 'General case' 0 CA--C 1.532 0.251 0 C-N-CA 126.088 1.755 . . . . 0.0 107.203 -161.844 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 74.0 mt-30 -52.97 -41.24 64.37 Favored 'General case' 0 N--CA 1.464 0.268 0 CA-C-O 121.379 0.609 . . . . 0.0 110.625 175.087 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 25.2 p -149.94 158.5 44.23 Favored 'General case' 0 N--CA 1.444 -0.763 0 C-N-CA 125.639 1.576 . . . . 0.0 107.519 -176.676 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 77.0 mt-30 -121.83 -5.57 9.1 Favored 'General case' 0 C--N 1.325 -0.478 0 C-N-CA 124.732 1.213 . . . . 0.0 110.86 173.286 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 12.8 m -162.86 156.54 20.22 Favored 'General case' 0 C--O 1.224 -0.277 0 N-CA-C 107.819 -1.178 . . . . 0.0 107.819 176.818 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 10.9 p -52.22 -29.74 12.63 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.661 0 O-C-N 121.029 -1.044 . . . . 0.0 112.025 175.904 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 99.2 mtt180 -38.07 -53.5 1.39 Allowed 'General case' 0 CA--C 1.534 0.335 0 C-N-CA 125.873 1.669 . . . . 0.0 112.159 167.013 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 48.3 m-20 -57.39 -57.15 13.91 Favored 'General case' 0 N--CA 1.448 -0.562 0 C-N-CA 124.983 1.313 . . . . 0.0 108.686 -177.712 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 10' ' ' CYS . . . . . 0.439 ' SG ' ' HB3' ' A' ' 17' ' ' PRO . 0.5 OUTLIER -59.63 -34.9 73.38 Favored 'General case' 0 C--O 1.219 -0.522 0 C-N-CA 118.66 -1.216 . . . . 0.0 111.337 -179.644 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 33.6 mt-30 -60.8 -22.64 64.35 Favored 'General case' 0 CA--C 1.535 0.402 0 CA-C-N 119.486 1.039 . . . . 0.0 111.392 -179.206 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 31.3 mt-30 -78.1 -44.72 25.36 Favored 'General case' 0 CA--C 1.532 0.267 0 CA-C-N 118.492 0.587 . . . . 0.0 110.158 169.196 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 53.4 m-85 -73.27 -20.76 60.76 Favored 'General case' 0 CA--C 1.542 0.639 0 N-CA-C 114.374 1.25 . . . . 0.0 114.374 -176.045 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 19.7 m -149.94 140.09 22.13 Favored 'General case' 0 C--O 1.226 -0.177 0 C-N-CA 125.732 1.613 . . . . 0.0 108.301 -168.792 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -64.09 -47.97 77.99 Favored 'General case' 0 CA--C 1.533 0.319 0 N-CA-C 109.662 -0.496 . . . . 0.0 109.662 177.591 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 20.4 m -126.61 79.93 70.75 Favored Pre-proline 0 CA--C 1.536 0.406 0 C-N-CA 123.363 0.665 . . . . 0.0 111.736 -178.653 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 17' ' ' PRO . . . . . 0.439 ' HB3' ' SG ' ' A' ' 10' ' ' CYS . 4.1 Cg_endo -62.35 150.78 85.94 Favored 'Trans proline' 0 N--CA 1.434 -2.025 0 C-N-CA 122.194 1.929 . . . . 0.0 112.639 174.495 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 24.2 t0 -79.34 -58.42 3.22 Favored 'General case' 0 N--CA 1.444 -0.737 0 N-CA-C 106.6 -1.629 . . . . 0.0 106.6 172.35 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -163.76 153.96 15.27 Favored 'General case' 0 N--CA 1.447 -0.622 0 N-CA-C 108.469 -0.937 . . . . 0.0 108.469 -178.237 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 52.9 t -84.64 112.33 20.36 Favored 'General case' 0 N--CA 1.452 -0.37 0 N-CA-C 105.449 -2.056 . . . . 0.0 105.449 146.363 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 2.9 m -160.28 147.76 16.26 Favored 'General case' 0 N--CA 1.452 -0.336 0 N-CA-C 108.65 -0.87 . . . . 0.0 108.65 -171.547 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 42.4 t80 52.68 39.96 29.39 Favored 'General case' 0 CA--C 1.538 0.51 0 CA-C-O 121.518 0.675 . . . . 0.0 110.915 -176.245 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 53.24 23.12 16.46 Favored Glycine 0 CA--C 1.535 1.315 0 C-N-CA 124.333 0.968 . . . . 0.0 114.016 -176.247 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 63.1 m -128.04 137.04 52.03 Favored 'General case' 0 N--CA 1.45 -0.446 0 C-N-CA 126.523 1.929 . . . . 0.0 107.199 -172.945 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -91.87 93.37 8.79 Favored 'General case' 0 CA--C 1.535 0.392 0 N-CA-C 107.404 -1.332 . . . . 0.0 107.404 173.23 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 56.4 m-85 -78.84 142.21 37.06 Favored 'General case' 0 C--O 1.233 0.198 0 C-N-CA 125.561 1.544 . . . . 0.0 108.642 -178.818 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 23.3 m -127.49 144.98 50.99 Favored 'General case' 0 C--N 1.344 0.367 0 C-N-CA 123.934 0.894 . . . . 0.0 112.907 -177.873 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 58.9 mttm -80.15 60.76 3.76 Favored 'General case' 0 CA--C 1.532 0.256 0 N-CA-C 109.216 -0.661 . . . . 0.0 109.216 -179.26 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 6.4 t -167.26 135.49 2.56 Favored 'General case' 0 N--CA 1.444 -0.728 0 N-CA-C 105.859 -1.904 . . . . 0.0 105.859 179.897 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 10.1 t -166.95 -173.31 2.32 Favored 'General case' 0 C--N 1.327 -0.408 0 C-N-CA 126.069 1.748 . . . . 0.0 107.23 179.539 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 31' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.292 0 O-C-N 122.344 -0.222 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 1' ' ' PCA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.439 0 N-CA-C 108.683 -0.858 . . . . 0.0 108.683 . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 7.1 m -148.44 -117.93 0.06 Allowed 'General case' 0 C--N 1.329 -0.287 0 N-CA-C 107.143 -1.428 . . . . 0.0 107.143 175.059 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 83.8 mt-30 -49.77 -38.56 34.54 Favored 'General case' 0 CA--C 1.531 0.232 0 C-N-CA 123.072 0.549 . . . . 0.0 110.606 165.783 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 15.1 p -143.18 168.43 19.77 Favored 'General case' 0 N--CA 1.451 -0.393 0 C-N-CA 126.27 1.828 . . . . 0.0 109.243 -175.359 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 38.1 mt-30 -105.8 -36.66 6.96 Favored 'General case' 0 CA--C 1.534 0.35 0 C-N-CA 126.659 1.984 . . . . 0.0 109.828 166.271 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 1.2 p -152.72 172.59 16.44 Favored 'General case' 0 CA--C 1.514 -0.436 0 CA-C-O 122.019 0.914 . . . . 0.0 111.382 -177.306 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 6.2 p -54.86 -37.98 42.97 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.603 0 CA-C-N 115.641 -0.708 . . . . 0.0 111.295 -176.12 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 3.5 tmt_? -35.59 -44.76 0.33 Allowed 'General case' 0 N--CA 1.452 -0.374 0 C-N-CA 128.272 2.629 . . . . 0.0 113.525 167.168 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 74.1 m-20 -70.28 -52.55 22.06 Favored 'General case' 0 N--CA 1.445 -0.71 0 N-CA-C 107.969 -1.123 . . . . 0.0 107.969 -178.21 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 10' ' ' CYS . . . . . 0.444 ' SG ' ' HB3' ' A' ' 17' ' ' PRO . 0.3 OUTLIER -57.08 -34.68 68.53 Favored 'General case' 0 C--O 1.219 -0.548 0 C-N-CA 118.794 -1.162 . . . . 0.0 111.815 176.933 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 84.6 mt-30 -58.56 -19.57 39.12 Favored 'General case' 0 CA--C 1.537 0.481 0 CA-C-N 119.195 0.907 . . . . 0.0 111.857 179.705 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 31.4 mt-30 -87.36 -43.84 11.82 Favored 'General case' 0 CA--C 1.535 0.367 0 C-N-CA 123.278 0.631 . . . . 0.0 110.071 171.236 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 89.2 m-85 -66.8 -28.22 68.2 Favored 'General case' 0 CA--C 1.543 0.705 0 N-CA-C 113.558 0.947 . . . . 0.0 113.558 179.994 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 19.1 m -146.42 140.86 26.61 Favored 'General case' 0 CA--C 1.52 -0.19 0 C-N-CA 126.245 1.818 . . . . 0.0 108.767 -165.647 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -63.49 -46.79 84.51 Favored 'General case' 0 CA--C 1.534 0.363 0 N-CA-C 109.395 -0.594 . . . . 0.0 109.395 175.355 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 6.9 m -127.4 74.64 77.61 Favored Pre-proline 0 CA--C 1.536 0.421 0 C-N-CA 123.143 0.577 . . . . 0.0 112.367 -173.295 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 17' ' ' PRO . . . . . 0.444 ' HB3' ' SG ' ' A' ' 10' ' ' CYS . 2.8 Cg_endo -64.39 153.57 76.16 Favored 'Trans proline' 0 N--CA 1.435 -1.959 0 C-N-CA 121.554 1.503 . . . . 0.0 113.491 179.706 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 38.2 t0 -80.61 -65.3 1.03 Allowed 'General case' 0 N--CA 1.445 -0.715 0 N-CA-C 106.06 -1.83 . . . . 0.0 106.06 171.156 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -161.01 153.06 19.93 Favored 'General case' 0 N--CA 1.449 -0.522 0 C-N-CA 124.401 1.08 . . . . 0.0 108.581 -176.502 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 52.7 t -83.49 111.01 18.68 Favored 'General case' 0 N--CA 1.453 -0.299 0 N-CA-C 105.662 -1.977 . . . . 0.0 105.662 147.805 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 3.1 m -159.65 153.02 22.3 Favored 'General case' 0 N--CA 1.45 -0.446 0 C-N-CA 123.915 0.886 . . . . 0.0 108.741 -171.595 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 27.6 t80 49.0 40.73 17.7 Favored 'General case' 0 CA--C 1.539 0.552 0 C-N-CA 123.712 0.805 . . . . 0.0 111.964 179.949 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 52.41 42.33 56.78 Favored Glycine 0 CA--C 1.532 1.11 0 C-N-CA 123.232 0.444 . . . . 0.0 112.103 -175.992 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 7.2 m -153.24 138.4 17.39 Favored 'General case' 0 N--CA 1.453 -0.308 0 N-CA-C 107.996 -1.113 . . . . 0.0 107.996 -176.789 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 25' ' ' CYS . . . . . . . . . . . . 0.264 0.0 OUTLIER -90.68 88.14 6.98 Favored 'General case' 0 CA--C 1.533 0.315 0 CA-C-O 123.24 1.495 . . . . 0.0 107.093 172.566 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 61.7 m-85 -69.65 139.99 53.6 Favored 'General case' 0 N--CA 1.451 -0.387 0 C-N-CA 125.287 1.435 . . . . 0.0 108.332 178.998 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 21.9 m -123.6 141.93 51.53 Favored 'General case' 0 C--N 1.342 0.269 0 C-N-CA 123.657 0.783 . . . . 0.0 112.421 -179.523 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 52.0 mttp -73.39 -35.28 65.86 Favored 'General case' 0 C--N 1.342 0.26 0 N-CA-C 109.325 -0.62 . . . . 0.0 109.325 178.893 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 9.7 t -159.31 -174.68 4.81 Favored 'General case' 0 N--CA 1.438 -1.027 0 N-CA-C 105.027 -2.212 . . . . 0.0 105.027 164.562 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 6.6 m -157.28 -51.57 0.07 Allowed 'General case' 0 C--N 1.322 -0.622 0 C-N-CA 125.267 1.427 . . . . 0.0 109.364 -178.031 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 31' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.333 -0.142 0 O-C-N 121.999 -0.438 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 1' ' ' PCA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.449 -0.477 0 N-CA-C 109.09 -0.707 . . . . 0.0 109.09 . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 25.6 m -101.12 -114.28 0.19 Allowed 'General case' 0 CA--C 1.53 0.181 0 N-CA-C 106.93 -1.507 . . . . 0.0 106.93 170.661 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 75.0 mt-30 -63.07 -35.17 79.36 Favored 'General case' 0 CA--C 1.531 0.24 0 N-CA-C 109.031 -0.729 . . . . 0.0 109.031 164.542 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 13.7 p -143.23 166.35 24.94 Favored 'General case' 0 N--CA 1.45 -0.462 0 C-N-CA 126.367 1.867 . . . . 0.0 108.326 179.796 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 4.3 tt0 -100.99 -41.68 6.7 Favored 'General case' 0 N--CA 1.45 -0.464 0 C-N-CA 125.815 1.646 . . . . 0.0 109.319 165.983 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -148.86 161.28 42.15 Favored 'General case' 0 C--O 1.223 -0.335 0 C-N-CA 123.602 0.761 . . . . 0.0 109.04 -165.931 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 10.0 p -52.89 -34.12 19.99 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.566 0 O-C-N 121.087 -1.008 . . . . 0.0 112.164 -178.514 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 72.0 mtt85 -49.5 -39.08 32.68 Favored 'General case' 0 CA--C 1.532 0.282 0 C-N-CA 124.444 1.097 . . . . 0.0 113.139 174.105 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 45.4 m-20 -57.21 -51.47 69.21 Favored 'General case' 0 N--CA 1.449 -0.495 0 N-CA-C 108.097 -1.075 . . . . 0.0 108.097 174.229 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -60.71 -34.8 74.93 Favored 'General case' 0 C--O 1.217 -0.644 0 C-N-CA 119.294 -0.962 . . . . 0.0 112.209 175.66 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 38.4 mt-30 -58.64 -24.33 60.92 Favored 'General case' 0 CA--C 1.537 0.448 0 CA-C-N 120.283 1.402 . . . . 0.0 111.551 179.678 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 32.2 mt-30 -77.31 -46.66 22.25 Favored 'General case' 0 CA--C 1.534 0.33 0 CA-C-N 118.281 0.492 . . . . 0.0 109.765 170.144 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 27.8 t80 -64.53 -39.07 93.09 Favored 'General case' 0 CA--C 1.536 0.405 0 N-CA-C 113.776 1.028 . . . . 0.0 113.776 -173.868 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 15.6 m -135.44 142.1 45.52 Favored 'General case' 0 CA--C 1.521 -0.17 0 C-N-CA 127.231 2.212 . . . . 0.0 108.542 -166.369 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 3.8 mm? -77.09 -15.72 59.47 Favored 'General case' 0 CA--C 1.532 0.275 0 C-N-CA 123.205 0.602 . . . . 0.0 110.648 175.468 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 6.3 m -148.29 72.16 10.98 Favored Pre-proline 0 CA--C 1.537 0.464 0 O-C-N 121.157 -0.964 . . . . 0.0 112.384 178.626 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 5.9 Cg_endo -67.65 172.99 9.63 Favored 'Trans proline' 0 N--CA 1.436 -1.88 0 C-N-CA 121.258 1.305 . . . . 0.0 114.488 -178.772 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 7.5 t70 -111.74 -67.38 1.0 Allowed 'General case' 0 N--CA 1.445 -0.724 0 CA-C-N 113.947 -1.479 . . . . 0.0 109.66 173.2 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 5.2 ptt180 -155.36 144.18 20.63 Favored 'General case' 0 N--CA 1.436 -1.138 0 N-CA-C 109.555 -0.535 . . . . 0.0 109.555 -177.051 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 54.1 t -80.26 108.22 13.69 Favored 'General case' 0 N--CA 1.45 -0.457 0 N-CA-C 105.686 -1.968 . . . . 0.0 105.686 152.019 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 3.1 m -157.92 142.48 16.28 Favored 'General case' 0 N--CA 1.451 -0.393 0 N-CA-C 108.963 -0.755 . . . . 0.0 108.963 -170.528 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 98.1 m-85 50.32 33.53 7.62 Favored 'General case' 0 CA--C 1.537 0.475 0 C-N-CA 123.792 0.837 . . . . 0.0 111.355 -168.465 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 66.63 11.78 57.81 Favored Glycine 0 CA--C 1.536 1.372 0 CA-C-O 119.447 -0.64 . . . . 0.0 113.992 -179.712 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 53.0 m -116.22 135.9 53.49 Favored 'General case' 0 N--CA 1.453 -0.302 0 C-N-CA 126.315 1.846 . . . . 0.0 108.056 179.33 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 25' ' ' CYS . . . . . . . . . . . . 0.283 0.1 OUTLIER -88.6 86.61 7.04 Favored 'General case' 0 CA--C 1.534 0.355 0 CA-C-O 123.399 1.571 . . . . 0.0 108.344 174.114 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 63.4 m-85 -61.33 138.04 58.24 Favored 'General case' 0 N--CA 1.453 -0.292 0 C-N-CA 125.373 1.469 . . . . 0.0 109.135 174.421 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 14.3 m -124.05 148.62 46.91 Favored 'General case' 0 CA--C 1.518 -0.269 0 C-N-CA 123.703 0.801 . . . . 0.0 111.691 174.997 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 48.3 mttp -72.82 -46.98 50.21 Favored 'General case' 0 C--N 1.339 0.124 0 N-CA-C 108.552 -0.907 . . . . 0.0 108.552 172.663 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 8.9 t -165.29 -176.02 3.87 Favored 'General case' 0 N--CA 1.44 -0.974 0 N-CA-C 106.009 -1.849 . . . . 0.0 106.009 175.348 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 2.4 m 171.0 -51.43 0.01 OUTLIER 'General case' 0 C--N 1.327 -0.386 0 C-N-CA 131.672 3.989 . . . . 0.0 106.902 177.13 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 31' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.333 -0.128 0 O-C-N 121.862 -0.524 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 1' ' ' PCA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.315 0 CA-C-O 121.328 0.585 . . . . 0.0 110.446 . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 30.0 m -143.92 -109.54 0.11 Allowed 'General case' 0 C--N 1.33 -0.245 0 N-CA-C 107.668 -1.234 . . . . 0.0 107.668 173.922 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 81.6 mt-30 -59.46 -33.09 70.86 Favored 'General case' 0 N--CA 1.463 0.201 0 CA-C-N 118.876 0.762 . . . . 0.0 109.75 164.348 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 12.1 p -150.9 168.29 24.95 Favored 'General case' 0 N--CA 1.449 -0.494 0 C-N-CA 125.1 1.36 . . . . 0.0 108.852 -174.958 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 7.5 tt0 -104.34 -39.51 6.44 Favored 'General case' 0 N--CA 1.45 -0.462 0 C-N-CA 127.062 2.145 . . . . 0.0 109.223 166.402 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 1.5 p -153.08 175.14 13.33 Favored 'General case' 0 CA--C 1.514 -0.433 0 CA-C-O 121.852 0.834 . . . . 0.0 110.506 179.113 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 9.8 p -51.84 -36.41 19.28 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.568 0 CA-C-N 115.633 -0.712 . . . . 0.0 111.892 -177.324 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 99.9 mtt180 -45.26 -44.46 11.3 Favored 'General case' 0 CA--C 1.531 0.228 0 C-N-CA 125.497 1.519 . . . . 0.0 112.471 174.312 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 28.3 m-20 -57.68 -53.74 54.78 Favored 'General case' 0 C--O 1.241 0.627 0 CA-C-O 122.109 0.957 . . . . 0.0 108.805 178.145 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 10' ' ' CYS . . . . . 0.426 ' HB3' ' CB ' ' A' ' 17' ' ' PRO . 0.3 OUTLIER -63.02 -31.24 72.34 Favored 'General case' 0 N--CA 1.446 -0.63 0 CA-C-N 114.958 -1.019 . . . . 0.0 111.042 179.724 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 40.7 mt-30 -59.55 -26.61 65.51 Favored 'General case' 0 CA--C 1.536 0.425 0 CA-C-N 120.182 1.356 . . . . 0.0 111.004 179.529 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 15.2 mt-30 -71.62 -48.53 47.34 Favored 'General case' 0 CA--C 1.531 0.218 0 N-CA-C 108.776 -0.824 . . . . 0.0 108.776 168.763 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 5.6 t80 -63.62 -32.16 73.55 Favored 'General case' 0 CA--C 1.538 0.516 0 N-CA-C 113.903 1.075 . . . . 0.0 113.903 -172.951 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 21.7 m -150.1 142.05 23.87 Favored 'General case' 0 C--N 1.331 -0.219 0 C-N-CA 126.527 1.931 . . . . 0.0 109.307 -161.819 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -62.73 -49.17 76.09 Favored 'General case' 0 CA--C 1.535 0.376 0 N-CA-C 109.56 -0.533 . . . . 0.0 109.56 176.479 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 8.7 m -127.09 77.26 75.54 Favored Pre-proline 0 CA--C 1.534 0.361 0 C-N-CA 123.414 0.686 . . . . 0.0 111.791 -175.637 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 17' ' ' PRO . . . . . 0.426 ' CB ' ' HB3' ' A' ' 10' ' ' CYS . 3.3 Cg_endo -63.7 147.28 92.7 Favored 'Trans proline' 0 N--CA 1.433 -2.072 0 C-N-CA 121.653 1.569 . . . . 0.0 112.293 176.161 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 10.8 t0 -83.73 -56.88 3.47 Favored 'General case' 0 N--CA 1.451 -0.376 0 N-CA-C 106.995 -1.483 . . . . 0.0 106.995 178.218 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 6.3 ptt-85 -160.94 151.28 17.87 Favored 'General case' 0 N--CA 1.45 -0.456 0 O-C-N 121.869 -0.519 . . . . 0.0 109.716 175.397 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 40.8 t -85.0 112.94 21.05 Favored 'General case' 0 C--N 1.333 -0.136 0 N-CA-C 105.634 -1.988 . . . . 0.0 105.634 150.316 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 2.6 m -161.8 142.09 10.45 Favored 'General case' 0 N--CA 1.452 -0.357 0 N-CA-C 108.716 -0.846 . . . . 0.0 108.716 -168.873 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 79.0 m-85 49.76 45.0 25.0 Favored 'General case' 0 CA--C 1.535 0.385 0 C-N-CA 123.619 0.768 . . . . 0.0 110.99 -175.273 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 57.77 14.7 16.49 Favored Glycine 0 CA--C 1.536 1.351 0 C-N-CA 124.304 0.954 . . . . 0.0 114.223 -179.213 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 39.8 m -121.61 133.47 54.99 Favored 'General case' 0 N--CA 1.449 -0.478 0 C-N-CA 125.811 1.645 . . . . 0.0 107.279 -172.931 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 25' ' ' CYS . . . . . . . . . . . . 0.282 0.1 OUTLIER -91.3 85.18 5.75 Favored 'General case' 0 CA--C 1.535 0.402 0 CA-C-O 123.142 1.448 . . . . 0.0 107.316 174.074 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 51.4 m-85 -63.23 133.42 54.23 Favored 'General case' 0 N--CA 1.453 -0.29 0 C-N-CA 124.818 1.247 . . . . 0.0 108.069 177.472 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 35.5 m -117.9 140.1 50.2 Favored 'General case' 0 CA--C 1.513 -0.463 0 C-N-CA 123.209 0.604 . . . . 0.0 111.254 175.597 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 6.2 tmtt? -79.67 36.59 0.32 Allowed 'General case' 0 CA--C 1.541 0.605 0 CA-C-O 121.21 0.528 . . . . 0.0 110.962 -175.44 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 2.1 m -83.8 47.67 1.33 Allowed 'General case' 0 CA--C 1.534 0.33 0 O-C-N 120.909 -1.119 . . . . 0.0 108.852 -178.375 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 72.4 p -80.29 71.68 7.09 Favored 'General case' 0 N--CA 1.453 -0.287 0 N-CA-C 109.022 -0.732 . . . . 0.0 109.022 -171.825 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 31' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.331 -0.232 0 O-C-N 122.907 0.129 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 1' ' ' PCA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.305 0 N-CA-C 108.717 -0.846 . . . . 0.0 108.717 . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 10.9 p -153.26 170.17 21.26 Favored 'General case' 0 N--CA 1.437 -1.117 0 N-CA-C 103.65 -2.722 . . . . 0.0 103.65 -178.603 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 79.7 mt-30 -73.45 -35.17 65.72 Favored 'General case' 0 C--N 1.324 -0.525 0 C-N-CA 123.597 0.759 . . . . 0.0 109.647 178.88 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 20.9 p -140.19 160.35 40.15 Favored 'General case' 0 N--CA 1.454 -0.249 0 C-N-CA 126.12 1.768 . . . . 0.0 109.294 172.875 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 7.4 tt0 -100.49 -35.65 9.47 Favored 'General case' 0 N--CA 1.45 -0.457 0 C-N-CA 126.095 1.758 . . . . 0.0 109.62 171.332 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 15.2 m -161.23 161.81 30.93 Favored 'General case' 0 C--O 1.222 -0.392 0 C-N-CA 123.433 0.693 . . . . 0.0 109.33 -172.634 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 8.5 p -47.95 -36.42 5.7 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.427 0 N-CA-C 113.517 0.932 . . . . 0.0 113.517 -172.422 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 46.4 mtp85 -49.69 -39.52 36.98 Favored 'General case' 0 CA--C 1.531 0.223 0 C-N-CA 124.109 0.963 . . . . 0.0 112.963 175.74 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 45.5 m-20 -55.64 -53.94 50.32 Favored 'General case' 0 N--CA 1.448 -0.572 0 N-CA-C 108.538 -0.912 . . . . 0.0 108.538 173.837 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 10' ' ' CYS . . . . . 0.472 ' SG ' ' HB3' ' A' ' 17' ' ' PRO . 0.1 OUTLIER -58.28 -36.58 73.51 Favored 'General case' 0 N--CA 1.45 -0.439 0 CA-C-O 118.282 -0.866 . . . . 0.0 111.987 175.997 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 45.8 mt-30 -57.18 -25.49 59.06 Favored 'General case' 0 CA--C 1.537 0.468 0 CA-C-N 119.965 1.257 . . . . 0.0 111.393 178.617 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 27.1 mt-30 -76.96 -48.81 17.02 Favored 'General case' 0 CA--C 1.533 0.31 0 CA-C-N 118.415 0.552 . . . . 0.0 109.864 171.789 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 76.0 m-85 -70.52 -23.01 62.57 Favored 'General case' 0 CA--C 1.544 0.713 0 N-CA-C 113.283 0.845 . . . . 0.0 113.283 -174.292 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 20.8 m -149.35 141.99 24.48 Favored 'General case' 0 N--CA 1.463 0.197 0 C-N-CA 125.731 1.612 . . . . 0.0 109.682 -166.575 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -64.89 -50.35 66.89 Favored 'General case' 0 CA--C 1.534 0.363 0 C-N-CA 122.882 0.473 . . . . 0.0 109.795 177.425 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 20.7 m -125.33 81.38 63.95 Favored Pre-proline 0 CA--C 1.534 0.362 0 C-N-CA 123.409 0.684 . . . . 0.0 111.445 -178.1 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 17' ' ' PRO . . . . . 0.472 ' HB3' ' SG ' ' A' ' 10' ' ' CYS . 1.1 Cg_endo -63.88 162.01 30.55 Favored 'Trans proline' 0 N--CA 1.435 -1.953 0 C-N-CA 121.545 1.497 . . . . 0.0 114.164 176.357 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 28.4 t70 -96.67 -62.9 1.19 Allowed 'General case' 0 N--CA 1.453 -0.293 0 C-N-CA 127.014 2.126 . . . . 0.0 106.978 175.65 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -155.32 159.41 39.95 Favored 'General case' 0 N--CA 1.447 -0.612 0 N-CA-C 108.906 -0.776 . . . . 0.0 108.906 176.728 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 44.1 t -90.65 116.54 28.61 Favored 'General case' 0 N--CA 1.455 -0.196 0 N-CA-C 105.39 -2.078 . . . . 0.0 105.39 145.308 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 2.1 m -159.32 143.72 15.28 Favored 'General case' 0 N--CA 1.448 -0.563 0 N-CA-C 108.887 -0.782 . . . . 0.0 108.887 -172.019 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 91.1 m-85 51.34 35.25 13.41 Favored 'General case' 0 CA--C 1.538 0.505 0 C-N-CA 123.782 0.833 . . . . 0.0 111.485 -172.144 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 68.05 8.48 54.13 Favored Glycine 0 CA--C 1.535 1.333 0 CA-C-O 119.157 -0.802 . . . . 0.0 114.188 179.953 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 4.8 m -117.4 138.14 52.01 Favored 'General case' 0 N--CA 1.453 -0.286 0 C-N-CA 126.363 1.865 . . . . 0.0 109.014 -178.899 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -89.3 102.13 14.8 Favored 'General case' 0 CA--C 1.536 0.413 0 N-CA-C 107.361 -1.348 . . . . 0.0 107.361 173.091 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 71.5 m-85 -83.5 141.98 31.25 Favored 'General case' 0 N--CA 1.453 -0.291 0 C-N-CA 126.847 2.059 . . . . 0.0 108.162 178.022 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 21.7 m -127.15 146.68 50.31 Favored 'General case' 0 C--N 1.345 0.404 0 N-CA-C 113.005 0.743 . . . . 0.0 113.005 -177.956 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -80.57 65.44 5.71 Favored 'General case' 0 N--CA 1.454 -0.258 0 N-CA-C 108.531 -0.914 . . . . 0.0 108.531 -177.838 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 2.2 m -148.18 -138.96 0.09 Allowed 'General case' 0 N--CA 1.451 -0.393 0 N-CA-C 106.63 -1.619 . . . . 0.0 106.63 175.757 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 21.7 p -78.14 69.53 4.37 Favored 'General case' 0 N--CA 1.452 -0.338 0 C-N-CA 124.004 0.922 . . . . 0.0 109.306 -177.567 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 31' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.332 -0.153 0 O-C-N 122.41 -0.182 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 1' ' ' PCA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.328 0 N-CA-C 108.885 -0.783 . . . . 0.0 108.885 . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 8.6 m -138.14 -116.63 0.15 Allowed 'General case' 0 CA--C 1.53 0.176 0 N-CA-C 108.869 -0.789 . . . . 0.0 108.869 -161.484 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 82.5 mt-30 -57.0 -37.41 71.64 Favored 'General case' 0 N--CA 1.465 0.311 0 CA-C-N 119.122 0.873 . . . . 0.0 109.769 167.86 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 8.5 p -142.96 167.84 21.11 Favored 'General case' 0 N--CA 1.443 -0.784 0 C-N-CA 126.474 1.91 . . . . 0.0 107.948 -174.711 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 30.1 mt-30 -107.08 -34.35 7.18 Favored 'General case' 0 N--CA 1.451 -0.412 0 C-N-CA 126.315 1.846 . . . . 0.0 109.782 168.856 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 1.4 p -156.08 172.54 18.25 Favored 'General case' 0 CA--C 1.513 -0.455 0 CA-C-O 121.992 0.901 . . . . 0.0 110.5 178.131 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 8.4 p -51.64 -34.57 16.24 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.646 0 CA-C-N 115.284 -0.871 . . . . 0.0 111.866 -176.398 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 99.5 mtt180 -46.26 -45.96 17.53 Favored 'General case' 0 CA--C 1.532 0.28 0 C-N-CA 124.993 1.317 . . . . 0.0 112.419 173.561 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 46.0 m-20 -56.46 -51.85 66.91 Favored 'General case' 0 N--CA 1.449 -0.52 0 N-CA-C 108.617 -0.883 . . . . 0.0 108.617 178.356 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 10' ' ' CYS . . . . . 0.438 ' SG ' ' HB3' ' A' ' 17' ' ' PRO . 0.1 OUTLIER -58.64 -41.04 85.11 Favored 'General case' 0 C--O 1.215 -0.73 0 C-N-CA 117.968 -1.493 . . . . 0.0 110.976 174.633 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 41.6 mt-30 -58.99 -26.91 64.9 Favored 'General case' 0 CA--C 1.534 0.358 0 CA-C-N 120.784 1.629 . . . . 0.0 112.13 179.635 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 32.0 mt-30 -66.31 -43.17 87.01 Favored 'General case' 0 CA--C 1.534 0.346 0 CA-C-N 118.734 0.697 . . . . 0.0 110.489 169.575 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 65.2 m-85 -77.21 -60.18 2.47 Favored 'General case' 0 CA--C 1.543 0.679 0 N-CA-C 114.084 1.142 . . . . 0.0 114.084 -176.663 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 31.0 m -101.93 152.06 21.38 Favored 'General case' 0 C--N 1.333 -0.148 0 C-N-CA 128.151 2.58 . . . . 0.0 109.689 -171.129 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -74.72 -45.35 44.74 Favored 'General case' 0 N--CA 1.455 -0.199 0 N-CA-C 107.76 -1.2 . . . . 0.0 107.76 178.397 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 4.6 m -126.19 76.96 72.23 Favored Pre-proline 0 C--O 1.239 0.526 0 C-N-CA 123.533 0.733 . . . . 0.0 111.123 -176.685 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 17' ' ' PRO . . . . . 0.438 ' HB3' ' SG ' ' A' ' 10' ' ' CYS . 1.0 OUTLIER -66.21 158.66 53.65 Favored 'Trans proline' 0 N--CA 1.436 -1.888 0 C-N-CA 121.085 1.19 . . . . 0.0 113.219 177.421 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 29.4 t0 -88.91 -64.38 1.15 Allowed 'General case' 0 N--CA 1.452 -0.34 0 N-CA-C 106.007 -1.849 . . . . 0.0 106.007 173.215 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 1.6 ptt85 -162.55 153.02 16.82 Favored 'General case' 0 N--CA 1.448 -0.534 0 N-CA-C 109.073 -0.714 . . . . 0.0 109.073 -177.503 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 54.1 t -80.85 108.6 14.65 Favored 'General case' 0 N--CA 1.452 -0.368 0 N-CA-C 105.885 -1.895 . . . . 0.0 105.885 147.448 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 3.1 m -157.09 147.37 21.08 Favored 'General case' 0 N--CA 1.451 -0.384 0 N-CA-C 108.741 -0.836 . . . . 0.0 108.741 -173.165 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 73.1 m-85 49.26 41.66 20.5 Favored 'General case' 0 CA--C 1.538 0.494 0 C-N-CA 123.18 0.592 . . . . 0.0 110.461 -170.466 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 54.72 20.91 20.29 Favored Glycine 0 CA--C 1.535 1.32 0 C-N-CA 124.063 0.839 . . . . 0.0 113.996 -177.91 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 62.3 m -125.72 132.95 52.27 Favored 'General case' 0 N--CA 1.449 -0.493 0 C-N-CA 126.062 1.745 . . . . 0.0 107.324 -172.847 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 25' ' ' CYS . . . . . . . . . . . . 0.284 0.0 OUTLIER -84.92 86.42 7.37 Favored 'General case' 0 CA--C 1.535 0.366 0 CA-C-O 123.153 1.454 . . . . 0.0 107.574 172.932 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 68.5 m-85 -65.64 136.93 56.96 Favored 'General case' 0 N--CA 1.451 -0.378 0 C-N-CA 124.736 1.214 . . . . 0.0 108.371 176.073 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 37.7 m -114.91 134.3 55.28 Favored 'General case' 0 C--N 1.343 0.308 0 O-C-N 123.527 0.517 . . . . 0.0 112.224 177.46 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -82.44 -50.14 9.18 Favored 'General case' 0 N--CA 1.443 -0.795 0 C-N-CA 124.451 1.101 . . . . 0.0 108.165 -173.734 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 32.2 m -151.14 74.29 1.14 Allowed 'General case' 0 CA--C 1.53 0.205 0 CA-C-O 121.501 0.667 . . . . 0.0 109.915 175.524 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 9.5 m -151.24 149.49 29.47 Favored 'General case' 0 CA--C 1.53 0.18 0 N-CA-C 105.443 -2.058 . . . . 0.0 105.443 157.17 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 31' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.332 -0.178 0 CA-C-N 118.522 0.601 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 1' ' ' PCA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.448 -0.561 0 N-CA-C 109.325 -0.62 . . . . 0.0 109.325 . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 32.4 m -89.46 -109.52 0.08 Allowed 'General case' 0 CA--C 1.526 0.056 0 N-CA-C 106.092 -1.818 . . . . 0.0 106.092 160.514 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 80.6 mt-30 -62.7 -38.46 90.52 Favored 'General case' 0 CA--C 1.53 0.2 0 C-N-CA 119.457 -0.897 . . . . 0.0 108.826 155.085 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 12.0 p -145.13 157.41 44.1 Favored 'General case' 0 N--CA 1.447 -0.577 0 C-N-CA 125.83 1.652 . . . . 0.0 108.469 -174.128 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 32.2 tt0 -94.72 -34.18 12.64 Favored 'General case' 0 N--CA 1.455 -0.224 0 C-N-CA 125.095 1.358 . . . . 0.0 109.644 168.251 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 13.9 m -162.69 167.46 23.05 Favored 'General case' 0 C--O 1.225 -0.213 0 C-N-CA 124.01 0.924 . . . . 0.0 108.633 -173.399 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 9.8 p -47.23 -38.26 4.85 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.392 0 C-N-CA 124.024 0.93 . . . . 0.0 112.842 -175.357 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 81.3 mtt85 -49.18 -40.65 34.0 Favored 'General case' 0 CA--C 1.534 0.338 0 C-N-CA 124.219 1.007 . . . . 0.0 112.406 176.449 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 6.9 m-20 -62.87 -43.39 98.92 Favored 'General case' 0 N--CA 1.447 -0.58 0 N-CA-C 109.911 -0.403 . . . . 0.0 109.911 177.231 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 10' ' ' CYS . . . . . 0.445 ' SG ' ' HB3' ' A' ' 17' ' ' PRO . 0.5 OUTLIER -63.69 -35.71 81.44 Favored 'General case' 0 C--O 1.217 -0.619 0 C-N-CA 117.015 -1.874 . . . . 0.0 111.04 170.769 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 40.4 mt-30 -60.47 -38.84 85.5 Favored 'General case' 0 CA--C 1.534 0.347 0 CA-C-N 120.447 1.476 . . . . 0.0 110.158 -179.564 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 4.1 mt-30 -56.4 -40.05 74.03 Favored 'General case' 0 CA--C 1.54 0.581 0 O-C-N 122.126 -0.359 . . . . 0.0 110.257 170.221 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 4.1 t80 -77.15 -37.4 54.01 Favored 'General case' 0 CA--C 1.543 0.683 0 N-CA-C 114.792 1.404 . . . . 0.0 114.792 -176.789 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 7.5 m -142.9 139.3 30.73 Favored 'General case' 0 N--CA 1.463 0.222 0 C-N-CA 127.113 2.165 . . . . 0.0 108.491 -160.053 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -60.15 -48.99 79.39 Favored 'General case' 0 CA--C 1.534 0.362 0 N-CA-C 109.86 -0.422 . . . . 0.0 109.86 177.471 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 12.9 m -127.36 82.15 68.74 Favored Pre-proline 0 CA--C 1.535 0.379 0 C-N-CA 123.336 0.654 . . . . 0.0 111.803 -177.837 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 17' ' ' PRO . . . . . 0.445 ' HB3' ' SG ' ' A' ' 10' ' ' CYS . 2.4 Cg_endo -65.87 162.49 34.74 Favored 'Trans proline' 0 N--CA 1.436 -1.905 0 C-N-CA 121.533 1.489 . . . . 0.0 113.107 174.637 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 9.1 t0 -97.11 -57.23 2.32 Favored 'General case' 0 N--CA 1.452 -0.329 0 C-N-CA 125.877 1.671 . . . . 0.0 107.37 176.222 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 5.8 ptt-85 -158.13 155.25 28.81 Favored 'General case' 0 N--CA 1.452 -0.331 0 N-CA-C 109.695 -0.483 . . . . 0.0 109.695 175.586 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 41.6 t -87.93 117.89 27.09 Favored 'General case' 0 C--O 1.232 0.168 0 N-CA-C 105.217 -2.142 . . . . 0.0 105.217 147.524 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 2.0 m -162.03 141.33 9.67 Favored 'General case' 0 N--CA 1.451 -0.414 0 N-CA-C 108.483 -0.932 . . . . 0.0 108.483 -169.639 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 70.8 m-85 51.54 40.25 26.56 Favored 'General case' 0 CA--C 1.536 0.412 0 C-N-CA 123.384 0.674 . . . . 0.0 110.764 -171.484 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 54.75 18.73 11.7 Favored Glycine 0 CA--C 1.535 1.288 0 C-N-CA 124.28 0.943 . . . . 0.0 113.905 -176.889 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 55.1 m -120.9 137.05 54.78 Favored 'General case' 0 N--CA 1.45 -0.458 0 C-N-CA 126.538 1.935 . . . . 0.0 106.747 -174.421 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -93.99 98.84 11.29 Favored 'General case' 0 CA--C 1.537 0.443 0 CA-C-O 122.593 1.187 . . . . 0.0 108.018 177.238 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 50.2 m-85 -78.23 134.17 37.62 Favored 'General case' 0 N--CA 1.455 -0.207 0 C-N-CA 125.752 1.621 . . . . 0.0 108.065 177.308 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 11.4 m -117.93 149.44 40.9 Favored 'General case' 0 C--N 1.343 0.305 0 C-N-CA 123.736 0.814 . . . . 0.0 111.348 173.458 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 24.8 mtpp -70.18 -38.8 75.48 Favored 'General case' 0 C--N 1.34 0.185 0 CA-C-O 121.0 0.429 . . . . 0.0 110.405 -174.054 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 24.5 m -157.88 136.52 11.27 Favored 'General case' 0 N--CA 1.446 -0.66 0 N-CA-C 104.352 -2.462 . . . . 0.0 104.352 175.61 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 1.2 m -50.25 -44.84 53.69 Favored 'General case' 0 CA--C 1.533 0.323 0 C-N-CA 125.67 1.588 . . . . 0.0 112.318 -174.265 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 31' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.334 -0.08 0 O-C-N 121.833 -0.542 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 1' ' ' PCA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.4 0 N-CA-C 109.07 -0.715 . . . . 0.0 109.07 . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 20.8 m -94.45 -113.78 0.11 Allowed 'General case' 0 CA--C 1.529 0.163 0 N-CA-C 106.937 -1.505 . . . . 0.0 106.937 174.013 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 81.3 mt-30 -58.9 -41.03 86.23 Favored 'General case' 0 N--CA 1.463 0.196 0 O-C-N 121.276 -0.89 . . . . 0.0 109.032 160.378 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 17.9 p -143.43 168.59 19.46 Favored 'General case' 0 N--CA 1.446 -0.657 0 C-N-CA 127.246 2.218 . . . . 0.0 108.764 -174.641 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 3.2 tt0 -112.27 -30.54 7.15 Favored 'General case' 0 N--CA 1.448 -0.542 0 C-N-CA 127.24 2.216 . . . . 0.0 110.476 171.455 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 33.4 m -160.92 160.58 31.05 Favored 'General case' 0 C--O 1.222 -0.37 0 C-N-CA 124.343 1.057 . . . . 0.0 108.359 -175.29 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 10.0 p -48.62 -34.8 5.88 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.54 0 O-C-N 121.349 -0.845 . . . . 0.0 113.024 -175.344 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 99.8 mtt180 -42.5 -46.41 4.81 Favored 'General case' 0 CA--C 1.533 0.291 0 C-N-CA 125.714 1.605 . . . . 0.0 112.543 172.301 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 29.9 m-20 -55.02 -55.52 30.07 Favored 'General case' 0 N--CA 1.449 -0.523 0 C-N-CA 124.059 0.944 . . . . 0.0 108.834 175.988 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 10' ' ' CYS . . . . . 0.457 ' SG ' ' HB3' ' A' ' 17' ' ' PRO . 0.1 OUTLIER -58.03 -35.63 71.57 Favored 'General case' 0 C--O 1.219 -0.537 0 CA-C-O 118.412 -0.804 . . . . 0.0 111.852 177.38 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 40.7 mt-30 -58.91 -22.78 60.32 Favored 'General case' 0 CA--C 1.539 0.533 0 CA-C-N 119.748 1.158 . . . . 0.0 111.283 179.407 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 33.2 mt-30 -80.55 -47.03 14.8 Favored 'General case' 0 CA--C 1.533 0.296 0 CA-C-N 118.353 0.524 . . . . 0.0 110.346 170.6 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 85.0 m-85 -69.57 -24.94 63.77 Favored 'General case' 0 CA--C 1.546 0.789 0 N-CA-C 113.349 0.87 . . . . 0.0 113.349 -175.957 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 19.5 m -148.87 139.45 22.63 Favored 'General case' 0 N--CA 1.463 0.213 0 C-N-CA 126.358 1.863 . . . . 0.0 108.449 -167.124 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 3.9 mm? -67.26 -41.51 85.43 Favored 'General case' 0 CA--C 1.53 0.207 0 N-CA-C 110.428 -0.212 . . . . 0.0 110.428 178.345 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 17.8 m -127.68 80.78 71.4 Favored Pre-proline 0 C--O 1.234 0.269 0 C-N-CA 122.982 0.513 . . . . 0.0 111.469 -179.221 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 17' ' ' PRO . . . . . 0.457 ' HB3' ' SG ' ' A' ' 10' ' ' CYS . 2.4 Cg_endo -68.19 157.95 59.59 Favored 'Trans proline' 0 N--CA 1.439 -1.719 0 C-N-CA 121.333 1.355 . . . . 0.0 114.607 176.662 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 17.8 t70 -86.17 -62.76 1.44 Allowed 'General case' 0 N--CA 1.453 -0.302 0 N-CA-C 106.28 -1.748 . . . . 0.0 106.28 171.33 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -162.47 154.49 18.71 Favored 'General case' 0 N--CA 1.451 -0.378 0 C-N-CA 123.858 0.863 . . . . 0.0 109.148 -177.757 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 53.9 t -82.34 113.84 20.4 Favored 'General case' 0 N--CA 1.455 -0.188 0 N-CA-C 105.735 -1.95 . . . . 0.0 105.735 146.588 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 2.4 m -159.77 144.6 15.14 Favored 'General case' 0 N--CA 1.45 -0.427 0 N-CA-C 108.075 -1.084 . . . . 0.0 108.075 -172.819 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER 55.83 38.48 30.1 Favored 'General case' 0 CA--C 1.543 0.679 0 CA-C-O 121.402 0.62 . . . . 0.0 110.399 -177.404 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 56.67 15.92 14.44 Favored Glycine 0 CA--C 1.536 1.386 0 C-N-CA 124.28 0.943 . . . . 0.0 114.064 -176.506 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 59.0 m -122.31 134.0 54.66 Favored 'General case' 0 N--CA 1.449 -0.481 0 C-N-CA 126.224 1.81 . . . . 0.0 107.122 -172.259 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 25' ' ' CYS . . . . . . . . . . . . 0.257 0.0 OUTLIER -86.22 89.51 7.87 Favored 'General case' 0 CA--C 1.534 0.365 0 N-CA-C 106.766 -1.568 . . . . 0.0 106.766 171.412 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 44.7 m-85 -68.79 131.75 45.67 Favored 'General case' 0 N--CA 1.451 -0.405 0 N-CA-C 107.733 -1.21 . . . . 0.0 107.733 177.114 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 44.7 m -107.18 139.99 40.75 Favored 'General case' 0 C--N 1.341 0.201 0 CA-C-N 118.28 0.491 . . . . 0.0 111.251 178.804 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -70.34 -33.72 71.8 Favored 'General case' 0 C--O 1.235 0.301 0 N-CA-C 109.072 -0.714 . . . . 0.0 109.072 -170.805 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 3.4 m -144.55 -137.71 0.1 Allowed 'General case' 0 N--CA 1.451 -0.404 0 N-CA-C 105.003 -2.221 . . . . 0.0 105.003 163.965 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 15.1 t -72.79 -179.44 3.13 Favored 'General case' 0 CA--C 1.538 0.513 0 CA-C-N 119.753 1.16 . . . . 0.0 111.31 177.993 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 31' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.33 -0.254 0 O-C-N 121.885 -0.509 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 1' ' ' PCA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.316 0 CA-C-O 120.982 0.42 . . . . 0.0 110.086 . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 20.8 m -141.29 -115.71 0.12 Allowed 'General case' 0 C--N 1.33 -0.242 0 N-CA-C 107.295 -1.372 . . . . 0.0 107.295 169.022 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 82.8 mt-30 -59.0 -37.5 77.02 Favored 'General case' 0 CA--C 1.531 0.245 0 CA-C-N 119.345 0.975 . . . . 0.0 109.703 166.531 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 13.5 p -145.16 175.15 10.47 Favored 'General case' 0 N--CA 1.449 -0.489 0 C-N-CA 126.504 1.921 . . . . 0.0 108.844 -174.007 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 35.4 mt-30 -113.55 -33.46 5.87 Favored 'General case' 0 CA--C 1.535 0.372 0 C-N-CA 127.624 2.37 . . . . 0.0 110.507 166.19 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 26.3 m -159.74 164.1 34.13 Favored 'General case' 0 C--O 1.222 -0.353 0 CA-C-N 119.426 1.012 . . . . 0.0 108.815 -175.507 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 10.0 p -49.81 -35.23 10.1 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.568 0 O-C-N 121.237 -0.915 . . . . 0.0 113.054 -174.097 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 62.6 ttt180 -46.92 -37.61 9.24 Favored 'General case' 0 CA--C 1.536 0.435 0 C-N-CA 125.811 1.644 . . . . 0.0 113.018 174.548 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 56.6 m-20 -61.43 -57.65 11.34 Favored 'General case' 0 N--CA 1.448 -0.568 0 C-N-CA 124.147 0.979 . . . . 0.0 108.398 173.991 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 10' ' ' CYS . . . . . 0.427 ' SG ' ' HB3' ' A' ' 17' ' ' PRO . 0.1 OUTLIER -57.15 -34.37 68.35 Favored 'General case' 0 N--CA 1.449 -0.485 0 C-N-CA 119.578 -0.849 . . . . 0.0 112.007 179.449 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 39.7 mt-30 -58.13 -22.49 51.27 Favored 'General case' 0 CA--C 1.539 0.534 0 CA-C-N 119.258 0.935 . . . . 0.0 111.329 180.0 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 36.1 mt-30 -84.9 -44.78 12.87 Favored 'General case' 0 CA--C 1.534 0.364 0 C-N-CA 123.269 0.628 . . . . 0.0 109.805 173.206 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 90.2 m-85 -66.21 -28.03 68.43 Favored 'General case' 0 CA--C 1.542 0.667 0 N-CA-C 113.412 0.893 . . . . 0.0 113.412 179.984 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 15.5 m -145.22 136.49 25.01 Favored 'General case' 0 CA--C 1.522 -0.13 0 C-N-CA 125.916 1.686 . . . . 0.0 108.702 -165.164 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -68.16 -24.25 64.96 Favored 'General case' 0 CA--C 1.536 0.422 0 C-N-CA 122.53 0.332 . . . . 0.0 111.024 177.228 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 6.7 m -147.83 80.4 8.88 Favored Pre-proline 0 C--O 1.235 0.319 0 O-C-N 120.935 -1.103 . . . . 0.0 111.463 177.936 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 17' ' ' PRO . . . . . 0.427 ' HB3' ' SG ' ' A' ' 10' ' ' CYS . 8.9 Cg_endo -64.62 162.8 29.79 Favored 'Trans proline' 0 N--CA 1.435 -1.919 0 C-N-CA 122.529 2.152 . . . . 0.0 113.088 174.831 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 24.8 t70 -96.12 -60.85 1.54 Allowed 'General case' 0 N--CA 1.449 -0.497 0 C-N-CA 125.932 1.693 . . . . 0.0 107.249 169.804 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 7.7 ptt-85 -159.15 149.72 19.59 Favored 'General case' 0 N--CA 1.443 -0.823 0 N-CA-C 110.163 -0.31 . . . . 0.0 110.163 -176.104 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 41.6 t -86.7 111.95 21.18 Favored 'General case' 0 C--N 1.333 -0.152 0 N-CA-C 105.543 -2.021 . . . . 0.0 105.543 151.989 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 3.2 m -162.11 143.29 10.66 Favored 'General case' 0 N--CA 1.45 -0.427 0 N-CA-C 108.257 -1.016 . . . . 0.0 108.257 -169.355 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 45.4 t80 52.96 41.96 32.12 Favored 'General case' 0 CA--C 1.539 0.542 0 CA-C-O 121.525 0.679 . . . . 0.0 110.78 -176.828 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 57.6 12.88 10.45 Favored Glycine 0 CA--C 1.536 1.386 0 C-N-CA 124.379 0.99 . . . . 0.0 114.317 -177.548 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 41.2 m -119.36 134.66 55.1 Favored 'General case' 0 N--CA 1.45 -0.455 0 C-N-CA 126.051 1.74 . . . . 0.0 107.275 -172.524 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 25' ' ' CYS . . . . . . . . . . . . 0.28 0.1 OUTLIER -91.91 87.6 6.29 Favored 'General case' 0 CA--C 1.536 0.439 0 CA-C-O 123.291 1.519 . . . . 0.0 107.387 172.531 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 58.5 m-85 -65.85 139.41 58.3 Favored 'General case' 0 N--CA 1.453 -0.32 0 C-N-CA 125.537 1.535 . . . . 0.0 109.02 177.699 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 7.6 m -129.34 147.31 51.16 Favored 'General case' 0 C--N 1.343 0.311 0 C-N-CA 124.551 1.14 . . . . 0.0 111.92 176.979 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 73.7 mmtt -52.65 -40.81 63.19 Favored 'General case' 0 C--N 1.342 0.255 0 O-C-N 123.718 0.636 . . . . 0.0 111.298 -173.189 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 14.9 t -120.82 52.43 1.18 Allowed 'General case' 0 CA--C 1.535 0.389 0 C-N-CA 123.935 0.894 . . . . 0.0 109.035 174.011 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 9.7 t -56.48 -38.73 72.11 Favored 'General case' 0 CA--C 1.536 0.438 0 O-C-N 121.509 -0.744 . . . . 0.0 111.466 174.564 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 31' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.335 -0.057 0 O-C-N 121.639 -0.663 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 1' ' ' PCA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.433 0 N-CA-C 108.808 -0.812 . . . . 0.0 108.808 . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 28.0 m -99.11 -110.95 0.18 Allowed 'General case' 0 CA--C 1.529 0.152 0 N-CA-C 107.015 -1.476 . . . . 0.0 107.015 175.022 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 82.0 mt-30 -61.17 -35.44 77.15 Favored 'General case' 0 N--CA 1.464 0.228 0 O-C-N 121.41 -0.806 . . . . 0.0 109.187 159.791 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 12.1 p -148.28 162.18 40.03 Favored 'General case' 0 N--CA 1.443 -0.806 0 C-N-CA 125.915 1.686 . . . . 0.0 108.638 -175.178 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 7.0 tt0 -99.46 -39.4 8.37 Favored 'General case' 0 N--CA 1.447 -0.593 0 C-N-CA 126.713 2.005 . . . . 0.0 108.747 166.665 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 1.8 p -155.29 174.08 15.72 Favored 'General case' 0 C--O 1.221 -0.445 0 CA-C-O 122.015 0.912 . . . . 0.0 111.333 179.889 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 7.9 p -50.27 -36.78 13.42 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.549 0 CA-C-N 115.537 -0.756 . . . . 0.0 112.636 -173.75 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 3.8 mpt_? -49.03 -45.18 42.3 Favored 'General case' 0 CA--C 1.534 0.327 0 C-N-CA 124.605 1.162 . . . . 0.0 112.025 175.438 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 49.1 m-20 -54.94 -52.0 64.36 Favored 'General case' 0 N--CA 1.447 -0.603 0 N-CA-C 108.436 -0.95 . . . . 0.0 108.436 176.818 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 10' ' ' CYS . . . . . 0.45 ' SG ' ' HB3' ' A' ' 17' ' ' PRO . 0.1 OUTLIER -61.27 -39.58 90.94 Favored 'General case' 0 C--O 1.215 -0.744 0 C-N-CA 117.108 -1.837 . . . . 0.0 111.442 175.485 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 41.3 mt-30 -56.52 -35.2 67.79 Favored 'General case' 0 CA--C 1.534 0.357 0 CA-C-N 120.946 1.703 . . . . 0.0 110.789 179.287 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 5.7 mt-30 -63.54 -38.49 91.31 Favored 'General case' 0 CA--C 1.539 0.527 0 O-C-N 122.237 -0.29 . . . . 0.0 110.941 173.959 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 5.9 m-85 -73.68 -62.57 1.45 Allowed 'General case' 0 CA--C 1.545 0.772 0 CA-C-N 118.589 0.631 . . . . 0.0 112.605 178.036 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 21.9 m -111.86 141.58 45.32 Favored 'General case' 0 C--O 1.226 -0.135 0 C-N-CA 129.626 3.17 . . . . 0.0 109.292 -162.785 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 3.7 mm? -59.7 -46.15 89.94 Favored 'General case' 0 CA--C 1.531 0.238 0 C-N-CA 122.498 0.319 . . . . 0.0 110.266 175.405 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 11.9 m -129.25 79.64 73.88 Favored Pre-proline 0 C--O 1.235 0.342 0 C-N-CA 123.28 0.632 . . . . 0.0 111.312 -174.345 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 17' ' ' PRO . . . . . 0.45 ' HB3' ' SG ' ' A' ' 10' ' ' CYS . 1.0 OUTLIER -66.66 154.98 72.5 Favored 'Trans proline' 0 N--CA 1.436 -1.887 0 C-N-CA 121.013 1.142 . . . . 0.0 113.111 177.009 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 28.7 t70 -81.89 -61.76 1.83 Allowed 'General case' 0 N--CA 1.454 -0.264 0 N-CA-C 106.038 -1.838 . . . . 0.0 106.038 170.693 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 1.9 ptt85 -163.66 155.02 16.62 Favored 'General case' 0 N--CA 1.448 -0.547 0 N-CA-C 108.902 -0.777 . . . . 0.0 108.902 -178.412 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 52.9 t -82.12 112.6 19.31 Favored 'General case' 0 N--CA 1.453 -0.287 0 N-CA-C 105.531 -2.025 . . . . 0.0 105.531 145.767 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 2.4 m -155.75 141.42 17.92 Favored 'General case' 0 N--CA 1.45 -0.456 0 N-CA-C 108.792 -0.818 . . . . 0.0 108.792 -174.375 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 89.3 m-85 47.69 46.63 18.14 Favored 'General case' 0 CA--C 1.537 0.454 0 C-N-CA 123.702 0.801 . . . . 0.0 110.935 -172.107 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 57.33 14.42 12.67 Favored Glycine 0 CA--C 1.536 1.378 0 C-N-CA 124.421 1.01 . . . . 0.0 114.25 -179.868 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 35.4 m -117.51 129.31 55.72 Favored 'General case' 0 N--CA 1.448 -0.549 0 C-N-CA 125.91 1.684 . . . . 0.0 106.948 -174.118 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 25' ' ' CYS . . . . . . . . . . . . 0.254 0.0 OUTLIER -85.03 86.96 7.34 Favored 'General case' 0 CA--C 1.534 0.337 0 N-CA-C 106.636 -1.616 . . . . 0.0 106.636 172.016 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 69.2 m-85 -68.03 132.6 47.57 Favored 'General case' 0 N--CA 1.45 -0.443 0 CA-C-N 114.455 -1.248 . . . . 0.0 107.811 177.165 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 36.1 m -109.28 140.44 42.92 Favored 'General case' 0 C--N 1.341 0.234 0 CA-C-N 118.477 0.58 . . . . 0.0 111.123 175.745 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 4.8 tmtt? -73.6 -39.79 64.33 Favored 'General case' 0 C--N 1.341 0.208 0 N-CA-C 110.148 -0.315 . . . . 0.0 110.148 -168.819 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 71.0 p -126.82 -135.51 0.25 Allowed 'General case' 0 CA--C 1.537 0.449 0 N-CA-C 107.094 -1.447 . . . . 0.0 107.094 170.271 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 1.6 m -73.35 67.43 1.01 Allowed 'General case' 0 CA--C 1.536 0.408 0 C-N-CA 125.074 1.349 . . . . 0.0 111.227 -174.386 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 31' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.33 -0.262 0 O-C-N 121.328 -0.858 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 021 nuclear orig full ' A' A ' 1' ' ' PCA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.34 0 N-CA-C 108.766 -0.828 . . . . 0.0 108.766 . . . . . . . . . 0 0 . 1 . 021 nuclear orig full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 37.1 p -154.78 164.85 38.2 Favored 'General case' 0 N--CA 1.437 -1.095 0 N-CA-C 103.975 -2.602 . . . . 0.0 103.975 -178.18 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 86.4 mt-30 -62.93 -42.53 99.83 Favored 'General case' 0 C--N 1.324 -0.543 0 C-N-CA 123.236 0.614 . . . . 0.0 110.199 168.239 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 7.1 p -133.3 142.01 48.27 Favored 'General case' 0 CA--C 1.513 -0.443 0 C-N-CA 125.04 1.336 . . . . 0.0 110.02 -170.852 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 32.7 mt-30 -73.05 -34.91 66.58 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.139 -0.937 . . . . 0.0 109.594 174.024 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 4.4 m -173.1 171.82 4.05 Favored 'General case' 0 CA--C 1.53 0.182 0 C-N-CA 126.311 1.845 . . . . 0.0 106.76 -174.338 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 9.6 p -45.97 -39.52 3.27 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.405 0 C-N-CA 124.481 1.112 . . . . 0.0 113.01 -177.464 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 3.9 mpt_? -44.53 -45.14 9.16 Favored 'General case' 0 N--CA 1.464 0.245 0 C-N-CA 124.353 1.061 . . . . 0.0 112.152 174.804 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 3.2 m-20 -62.5 -43.69 98.19 Favored 'General case' 0 N--CA 1.45 -0.472 0 N-CA-C 109.87 -0.419 . . . . 0.0 109.87 -179.381 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 10' ' ' CYS . . . . . 0.443 ' SG ' ' HB3' ' A' ' 17' ' ' PRO . 0.2 OUTLIER -64.81 -35.56 81.48 Favored 'General case' 0 C--O 1.217 -0.642 0 C-N-CA 117.27 -1.772 . . . . 0.0 111.378 171.586 . . . . . . . . 3 3 . 1 . 021 nuclear orig full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 43.1 mt-30 -61.13 -39.12 88.85 Favored 'General case' 0 CA--C 1.533 0.291 0 CA-C-N 120.401 1.455 . . . . 0.0 110.003 -178.688 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 5.0 mt-30 -56.03 -44.27 78.59 Favored 'General case' 0 CA--C 1.538 0.497 0 N-CA-C 110.092 -0.336 . . . . 0.0 110.092 170.93 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 17.9 t80 -73.39 -39.78 64.84 Favored 'General case' 0 CA--C 1.539 0.527 0 N-CA-C 114.509 1.3 . . . . 0.0 114.509 -175.017 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 9.1 m -137.45 137.39 38.69 Favored 'General case' 0 N--CA 1.464 0.228 0 C-N-CA 126.657 1.983 . . . . 0.0 109.851 -160.186 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 3.6 mm? -64.65 -25.92 68.16 Favored 'General case' 0 CA--C 1.534 0.334 0 C-N-CA 123.243 0.617 . . . . 0.0 111.585 179.059 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 12.5 m -150.16 81.25 6.87 Favored Pre-proline 0 C--O 1.235 0.315 0 O-C-N 121.294 -0.879 . . . . 0.0 111.285 177.643 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 17' ' ' PRO . . . . . 0.443 ' HB3' ' SG ' ' A' ' 10' ' ' CYS . 4.6 Cg_endo -63.01 150.95 87.14 Favored 'Trans proline' 0 N--CA 1.431 -2.188 0 C-N-CA 121.448 1.432 . . . . 0.0 112.541 175.546 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 8.3 t70 -80.47 -60.03 2.47 Favored 'General case' 0 N--CA 1.449 -0.476 0 N-CA-C 106.564 -1.643 . . . . 0.0 106.564 170.95 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 9.0 ptt-85 -160.62 154.55 22.75 Favored 'General case' 0 N--CA 1.442 -0.869 0 C-N-CA 122.371 0.268 . . . . 0.0 110.393 -177.783 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 54.0 t -91.98 108.96 20.31 Favored 'General case' 0 C--N 1.334 -0.101 0 N-CA-C 105.475 -2.046 . . . . 0.0 105.475 152.664 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 3.6 m -162.23 147.86 12.92 Favored 'General case' 0 N--CA 1.452 -0.331 0 N-CA-C 108.436 -0.95 . . . . 0.0 108.436 -167.108 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 75.1 m-85 51.17 39.83 24.5 Favored 'General case' 0 CA--C 1.539 0.521 0 C-N-CA 123.251 0.62 . . . . 0.0 110.346 -171.073 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 56.06 16.45 13.48 Favored Glycine 0 CA--C 1.533 1.172 0 C-N-CA 124.125 0.869 . . . . 0.0 114.224 -176.966 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 77.4 m -121.91 137.22 54.87 Favored 'General case' 0 N--CA 1.452 -0.352 0 C-N-CA 126.569 1.948 . . . . 0.0 107.41 -171.879 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -90.24 91.89 8.7 Favored 'General case' 0 CA--C 1.534 0.362 0 CA-C-O 123.119 1.438 . . . . 0.0 107.207 172.933 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 47.8 m-85 -71.77 129.48 38.75 Favored 'General case' 0 N--CA 1.451 -0.397 0 C-N-CA 124.937 1.295 . . . . 0.0 108.13 176.476 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 34.4 m -106.61 141.45 37.87 Favored 'General case' 0 C--N 1.343 0.291 0 CA-C-N 118.606 0.639 . . . . 0.0 111.475 173.276 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 1.9 ttpm? -80.68 55.77 2.46 Favored 'General case' 0 N--CA 1.45 -0.445 0 C-N-CA 123.47 0.708 . . . . 0.0 110.747 -168.564 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 7.3 m -138.69 59.36 1.63 Allowed 'General case' 0 CA--C 1.531 0.224 0 C-N-CA 124.947 1.299 . . . . 0.0 107.701 -171.002 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 5.2 t -162.98 -52.25 0.04 OUTLIER 'General case' 0 CA--C 1.532 0.272 0 C-N-CA 123.497 0.719 . . . . 0.0 109.64 -178.132 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 31' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.333 -0.131 0 O-C-N 121.482 -0.762 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 022 nuclear orig full ' A' A ' 1' ' ' PCA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.449 -0.486 0 N-CA-C 108.472 -0.936 . . . . 0.0 108.472 . . . . . . . . . 0 0 . 1 . 022 nuclear orig full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 15.5 m -97.99 -120.42 0.13 Allowed 'General case' 0 CA--C 1.531 0.236 0 N-CA-C 106.486 -1.672 . . . . 0.0 106.486 169.079 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 78.2 mt-30 -66.45 -31.93 72.98 Favored 'General case' 0 CA--C 1.535 0.376 0 CA-C-N 118.861 0.755 . . . . 0.0 109.268 168.729 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 10.7 p -136.77 164.13 29.0 Favored 'General case' 0 N--CA 1.454 -0.241 0 C-N-CA 126.222 1.809 . . . . 0.0 107.845 168.28 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 2.9 tt0 -97.47 -41.19 8.31 Favored 'General case' 0 N--CA 1.45 -0.464 0 C-N-CA 125.656 1.583 . . . . 0.0 108.833 167.012 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 22.9 m -158.98 155.38 27.46 Favored 'General case' 0 C--O 1.223 -0.307 0 N-CA-C 108.634 -0.876 . . . . 0.0 108.634 -165.675 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 9.4 p -45.43 -36.63 1.93 Allowed 'Isoleucine or valine' 0 CA--C 1.536 0.406 0 N-CA-C 113.473 0.916 . . . . 0.0 113.473 -172.409 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 44.5 ttt85 -47.56 -41.44 21.46 Favored 'General case' 0 CA--C 1.537 0.45 0 C-N-CA 125.016 1.326 . . . . 0.0 113.306 175.586 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 52.1 m-20 -52.61 -52.93 53.05 Favored 'General case' 0 N--CA 1.45 -0.473 0 C-N-CA 124.16 0.984 . . . . 0.0 108.66 173.427 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 10' ' ' CYS . . . . . 0.424 ' SG ' ' HB3' ' A' ' 17' ' ' PRO . 0.1 OUTLIER -63.32 -36.39 83.55 Favored 'General case' 0 N--CA 1.445 -0.688 0 CA-C-O 117.94 -1.029 . . . . 0.0 111.851 175.157 . . . . . . . . 3 3 . 1 . 022 nuclear orig full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 45.4 mt-30 -58.04 -34.15 69.75 Favored 'General case' 0 N--CA 1.466 0.345 0 CA-C-N 120.617 1.553 . . . . 0.0 110.728 -179.067 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 32.2 mt-30 -66.55 -45.72 78.44 Favored 'General case' 0 CA--C 1.535 0.399 0 O-C-N 122.155 -0.341 . . . . 0.0 110.364 171.786 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 22.9 t80 -67.24 -40.7 86.36 Favored 'General case' 0 CA--C 1.538 0.501 0 N-CA-C 114.263 1.208 . . . . 0.0 114.263 -174.665 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 13.0 m -137.08 138.89 40.87 Favored 'General case' 0 C--N 1.331 -0.221 0 C-N-CA 127.831 2.452 . . . . 0.0 108.685 -163.573 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -62.22 -46.84 87.06 Favored 'General case' 0 CA--C 1.534 0.352 0 N-CA-C 109.753 -0.462 . . . . 0.0 109.753 177.922 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 18.0 m -124.8 81.49 61.46 Favored Pre-proline 0 C--O 1.235 0.322 0 C-N-CA 123.427 0.691 . . . . 0.0 111.68 -178.457 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 17' ' ' PRO . . . . . 0.424 ' HB3' ' SG ' ' A' ' 10' ' ' CYS . 4.9 Cg_endo -68.05 161.2 45.31 Favored 'Trans proline' 0 N--CA 1.434 -2.022 0 C-N-CA 120.674 0.916 . . . . 0.0 113.356 174.573 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 14.3 t0 -87.97 -62.32 1.52 Allowed 'General case' 0 N--CA 1.448 -0.536 0 N-CA-C 107.224 -1.398 . . . . 0.0 107.224 171.6 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -161.84 156.07 22.16 Favored 'General case' 0 N--CA 1.45 -0.449 0 C-N-CA 123.918 0.887 . . . . 0.0 108.679 -176.064 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 52.8 t -84.39 113.7 21.36 Favored 'General case' 0 N--CA 1.455 -0.204 0 N-CA-C 105.554 -2.017 . . . . 0.0 105.554 146.715 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 2.5 m -159.33 147.14 17.44 Favored 'General case' 0 N--CA 1.449 -0.504 0 N-CA-C 108.665 -0.865 . . . . 0.0 108.665 -171.964 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 10.1 t80 55.48 30.06 14.44 Favored 'General case' 0 CA--C 1.54 0.57 0 C-N-CA 123.217 0.607 . . . . 0.0 111.837 -176.922 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 71.9 6.73 64.43 Favored Glycine 0 CA--C 1.536 1.396 0 CA-C-O 119.296 -0.724 . . . . 0.0 114.034 -178.558 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 23.3 m -120.54 139.03 53.52 Favored 'General case' 0 N--CA 1.454 -0.228 0 C-N-CA 126.596 1.959 . . . . 0.0 109.335 -176.676 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -81.94 92.14 6.69 Favored 'General case' 0 CA--C 1.532 0.267 0 N-CA-C 106.728 -1.582 . . . . 0.0 106.728 168.744 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 41.6 m-85 -69.85 124.68 24.63 Favored 'General case' 0 N--CA 1.449 -0.487 0 N-CA-C 106.908 -1.515 . . . . 0.0 106.908 175.767 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 57.4 m -94.59 145.83 24.55 Favored 'General case' 0 C--N 1.34 0.174 0 CA-C-N 118.717 0.69 . . . . 0.0 110.031 172.681 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 11.5 ttmm -72.42 -50.67 24.7 Favored 'General case' 0 N--CA 1.448 -0.55 0 N-CA-C 107.086 -1.45 . . . . 0.0 107.086 178.668 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 1.2 m -75.86 48.7 0.49 Allowed 'General case' 0 CA--C 1.541 0.629 0 C-N-CA 124.248 1.019 . . . . 0.0 111.821 176.523 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 87.4 m -75.88 74.11 2.8 Favored 'General case' 0 CA--C 1.532 0.266 0 O-C-N 121.119 -0.988 . . . . 0.0 108.459 172.675 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 31' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.33 -0.239 0 O-C-N 122.013 -0.429 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 023 nuclear orig full ' A' A ' 1' ' ' PCA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.428 0 N-CA-C 109.278 -0.638 . . . . 0.0 109.278 . . . . . . . . . 0 0 . 1 . 023 nuclear orig full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 28.9 m -144.31 -111.7 0.11 Allowed 'General case' 0 C--N 1.331 -0.214 0 N-CA-C 107.445 -1.317 . . . . 0.0 107.445 174.794 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 82.8 mt-30 -59.06 -41.85 88.91 Favored 'General case' 0 N--CA 1.464 0.231 0 CA-C-N 119.207 0.912 . . . . 0.0 108.966 164.367 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 13.5 p -138.32 166.47 24.14 Favored 'General case' 0 N--CA 1.446 -0.645 0 C-N-CA 126.907 2.083 . . . . 0.0 108.72 -177.164 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 6.8 tt0 -103.81 -38.76 6.91 Favored 'General case' 0 N--CA 1.451 -0.383 0 C-N-CA 126.955 2.102 . . . . 0.0 109.178 166.884 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 2.6 p -155.78 177.92 10.85 Favored 'General case' 0 CA--C 1.513 -0.458 0 CA-C-O 122.269 1.033 . . . . 0.0 110.685 179.441 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 8.8 p -54.12 -35.58 29.68 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.768 0 CA-C-N 115.419 -0.81 . . . . 0.0 112.051 -176.177 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -41.56 -45.66 3.37 Favored 'General case' 0 CA--C 1.536 0.405 0 C-N-CA 125.353 1.461 . . . . 0.0 112.796 170.204 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 32.3 m-20 -61.24 -55.89 26.84 Favored 'General case' 0 N--CA 1.448 -0.568 0 N-CA-C 108.241 -1.022 . . . . 0.0 108.241 179.398 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 10' ' ' CYS . . . . . 0.464 ' SG ' ' HB3' ' A' ' 17' ' ' PRO . 0.1 OUTLIER -57.68 -35.76 71.03 Favored 'General case' 0 C--O 1.22 -0.489 0 C-N-CA 119.223 -0.991 . . . . 0.0 112.175 179.195 . . . . . . . . 3 3 . 1 . 023 nuclear orig full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 39.8 mt-30 -56.67 -25.22 53.27 Favored 'General case' 0 CA--C 1.536 0.434 0 CA-C-N 119.512 1.051 . . . . 0.0 111.696 179.223 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 34.2 mt-30 -83.52 -44.17 14.97 Favored 'General case' 0 CA--C 1.532 0.273 0 C-N-CA 122.826 0.45 . . . . 0.0 109.918 174.675 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 83.5 m-85 -68.67 -25.28 64.73 Favored 'General case' 0 CA--C 1.544 0.744 0 N-CA-C 113.113 0.782 . . . . 0.0 113.113 -179.563 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 26.5 m -150.74 139.18 20.45 Favored 'General case' 0 N--CA 1.461 0.124 0 C-N-CA 125.89 1.676 . . . . 0.0 109.209 -165.283 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -63.82 -47.38 81.05 Favored 'General case' 0 CA--C 1.535 0.38 0 N-CA-C 109.635 -0.506 . . . . 0.0 109.635 177.088 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 7.2 m -125.64 76.52 69.9 Favored Pre-proline 0 CA--C 1.534 0.328 0 C-N-CA 123.385 0.674 . . . . 0.0 112.169 -174.977 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 17' ' ' PRO . . . . . 0.464 ' HB3' ' SG ' ' A' ' 10' ' ' CYS . 1.7 Cg_endo -65.0 153.68 77.12 Favored 'Trans proline' 0 N--CA 1.435 -1.937 0 C-N-CA 121.328 1.352 . . . . 0.0 113.449 177.757 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 14.0 t0 -88.38 -60.54 1.94 Allowed 'General case' 0 N--CA 1.451 -0.39 0 N-CA-C 106.905 -1.517 . . . . 0.0 106.905 174.594 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 1.9 ptt-85 -158.95 149.89 20.08 Favored 'General case' 0 N--CA 1.45 -0.443 0 C-N-CA 122.99 0.516 . . . . 0.0 109.874 176.613 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 46.5 t -82.1 113.05 19.7 Favored 'General case' 0 C--N 1.332 -0.194 0 N-CA-C 105.633 -1.988 . . . . 0.0 105.633 148.734 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 2.5 m -160.61 143.1 12.9 Favored 'General case' 0 N--CA 1.452 -0.357 0 N-CA-C 108.495 -0.928 . . . . 0.0 108.495 -170.425 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 88.7 m-85 49.72 43.15 24.41 Favored 'General case' 0 CA--C 1.538 0.496 0 C-N-CA 123.46 0.704 . . . . 0.0 111.118 -173.108 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 56.91 16.7 18.96 Favored Glycine 0 CA--C 1.536 1.362 0 C-N-CA 123.954 0.788 . . . . 0.0 113.978 -178.743 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 56.1 m -123.18 133.36 54.25 Favored 'General case' 0 N--CA 1.448 -0.557 0 C-N-CA 126.18 1.792 . . . . 0.0 107.1 -172.818 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 25' ' ' CYS . . . . . . . . . . . . 0.282 0.0 OUTLIER -90.96 88.05 6.86 Favored 'General case' 0 CA--C 1.535 0.39 0 CA-C-O 123.12 1.438 . . . . 0.0 107.67 175.407 . . . . . . . . 3 3 . 1 . 023 nuclear orig full ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 56.3 m-85 -65.9 131.87 47.28 Favored 'General case' 0 N--CA 1.453 -0.31 0 C-N-CA 124.893 1.277 . . . . 0.0 108.044 176.677 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 36.8 m -114.63 135.2 54.4 Favored 'General case' 0 CA--C 1.519 -0.239 0 C-N-CA 123.219 0.608 . . . . 0.0 111.085 178.334 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 7.0 tmtt? -79.05 64.95 4.1 Favored 'General case' 0 N--CA 1.453 -0.294 0 C-N-CA 124.848 1.259 . . . . 0.0 109.3 -167.04 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 37.2 p -124.45 -86.04 0.64 Allowed 'General case' 0 N--CA 1.449 -0.478 0 C-N-CA 125.634 1.574 . . . . 0.0 109.679 -165.151 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 8.9 t -162.76 -168.51 1.81 Allowed 'General case' 0 C--N 1.322 -0.588 0 C-N-CA 126.912 2.085 . . . . 0.0 108.111 178.133 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 31' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.33 -0.276 0 O-C-N 122.16 -0.337 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 024 nuclear orig full ' A' A ' 1' ' ' PCA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.454 0 N-CA-C 109.359 -0.608 . . . . 0.0 109.359 . . . . . . . . . 0 0 . 1 . 024 nuclear orig full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 28.1 m -99.28 -113.25 0.17 Allowed 'General case' 0 CA--C 1.53 0.208 0 N-CA-C 106.691 -1.596 . . . . 0.0 106.691 168.921 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 81.7 mt-30 -60.59 -40.02 90.21 Favored 'General case' 0 N--CA 1.462 0.146 0 CA-C-N 119.153 0.888 . . . . 0.0 108.984 160.913 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 12.5 p -140.89 165.24 28.06 Favored 'General case' 0 N--CA 1.445 -0.713 0 C-N-CA 126.203 1.801 . . . . 0.0 108.575 -176.277 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -104.11 -36.98 7.51 Favored 'General case' 0 N--CA 1.448 -0.567 0 C-N-CA 126.738 2.015 . . . . 0.0 109.227 170.383 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 6.1 m -162.66 162.84 27.17 Favored 'General case' 0 C--O 1.222 -0.368 0 C-N-CA 124.044 0.937 . . . . 0.0 109.062 -174.149 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 9.1 p -47.56 -35.44 4.18 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.521 0 N-CA-C 113.692 0.997 . . . . 0.0 113.692 -172.01 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 8.5 mmp_? -36.92 -52.64 0.94 Allowed 'General case' 0 CA--C 1.535 0.367 0 C-N-CA 125.394 1.477 . . . . 0.0 112.793 168.896 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 33.6 m-20 -51.95 -55.77 18.32 Favored 'General case' 0 N--CA 1.447 -0.589 0 C-N-CA 124.858 1.263 . . . . 0.0 108.975 178.704 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 10' ' ' CYS . . . . . 0.44 ' SG ' ' HB3' ' A' ' 17' ' ' PRO . 0.1 OUTLIER -61.36 -37.77 84.56 Favored 'General case' 0 C--O 1.218 -0.587 0 C-N-CA 118.964 -1.094 . . . . 0.0 111.584 177.771 . . . . . . . . 3 3 . 1 . 024 nuclear orig full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 87.5 mt-30 -60.53 -33.22 72.33 Favored 'General case' 0 CA--C 1.53 0.196 0 CA-C-N 119.466 1.03 . . . . 0.0 110.441 -178.09 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 27.4 mt-30 -64.38 -43.56 94.11 Favored 'General case' 0 CA--C 1.536 0.433 0 O-C-N 122.072 -0.392 . . . . 0.0 110.428 170.334 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 27.9 m-85 -81.4 -20.91 39.48 Favored 'General case' 0 CA--C 1.542 0.662 0 N-CA-C 115.435 1.643 . . . . 0.0 115.435 -174.942 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 16.8 m -148.15 137.48 22.13 Favored 'General case' 0 C--O 1.225 -0.192 0 C-N-CA 125.547 1.539 . . . . 0.0 108.474 -166.759 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -61.63 -49.36 76.89 Favored 'General case' 0 CA--C 1.533 0.325 0 N-CA-C 109.717 -0.475 . . . . 0.0 109.717 178.756 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 21.8 m -125.36 81.81 63.47 Favored Pre-proline 0 C--O 1.237 0.403 0 C-N-CA 123.482 0.713 . . . . 0.0 111.534 -178.979 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 17' ' ' PRO . . . . . 0.44 ' HB3' ' SG ' ' A' ' 10' ' ' CYS . 3.8 Cg_endo -65.99 157.49 59.1 Favored 'Trans proline' 0 N--CA 1.433 -2.066 0 C-N-CA 121.012 1.142 . . . . 0.0 112.451 173.691 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 31.1 t0 -83.62 -61.4 1.84 Allowed 'General case' 0 N--CA 1.448 -0.538 0 N-CA-C 107.048 -1.464 . . . . 0.0 107.048 167.806 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 1.2 ptt85 -162.1 154.53 19.58 Favored 'General case' 0 N--CA 1.449 -0.496 0 N-CA-C 109.313 -0.625 . . . . 0.0 109.313 -176.306 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 50.4 t -81.28 112.7 18.83 Favored 'General case' 0 N--CA 1.454 -0.272 0 N-CA-C 105.613 -1.995 . . . . 0.0 105.613 145.159 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 2.3 m -156.62 144.13 19.12 Favored 'General case' 0 N--CA 1.45 -0.447 0 O-C-N 121.353 -0.842 . . . . 0.0 109.062 -173.866 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 96.2 m-85 49.33 42.53 22.19 Favored 'General case' 0 CA--C 1.538 0.489 0 C-N-CA 123.44 0.696 . . . . 0.0 110.815 -171.176 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 55.62 17.93 15.05 Favored Glycine 0 CA--C 1.535 1.309 0 C-N-CA 124.109 0.861 . . . . 0.0 114.013 -178.27 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 57.2 m -121.93 133.87 54.85 Favored 'General case' 0 N--CA 1.449 -0.5 0 C-N-CA 126.416 1.886 . . . . 0.0 106.936 -173.572 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 25' ' ' CYS . . . . . . . . . . . . 0.263 0.0 OUTLIER -87.39 92.33 9.04 Favored 'General case' 0 CA--C 1.535 0.396 0 CA-C-O 122.836 1.303 . . . . 0.0 107.623 174.152 . . . . . . . . 3 3 . 1 . 024 nuclear orig full ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 50.7 m-85 -70.45 130.02 40.8 Favored 'General case' 0 N--CA 1.452 -0.37 0 C-N-CA 124.713 1.205 . . . . 0.0 108.249 176.876 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 33.2 m -111.8 141.94 44.79 Favored 'General case' 0 C--N 1.343 0.285 0 C-N-CA 123.275 0.63 . . . . 0.0 111.743 174.477 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 1.6 ttmt -76.29 -18.25 59.06 Favored 'General case' 0 N--CA 1.447 -0.576 0 C-N-CA 122.825 0.45 . . . . 0.0 111.914 -174.32 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 8.4 t -160.17 -154.09 0.37 Allowed 'General case' 0 N--CA 1.441 -0.919 0 N-CA-C 104.347 -2.464 . . . . 0.0 104.347 172.745 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 3.8 m -69.06 71.36 0.24 Allowed 'General case' 0 CA--C 1.536 0.442 0 C-N-CA 126.274 1.83 . . . . 0.0 111.469 -174.299 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 31' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.33 -0.265 0 O-C-N 121.402 -0.811 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 025 nuclear orig full ' A' A ' 1' ' ' PCA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.356 0 CA-C-O 121.124 0.488 . . . . 0.0 110.242 . . . . . . . . . 0 0 . 1 . 025 nuclear orig full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 15.5 m -144.08 -117.05 0.09 Allowed 'General case' 0 C--N 1.331 -0.237 0 N-CA-C 107.625 -1.25 . . . . 0.0 107.625 171.544 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 80.9 mt-30 -61.24 -29.39 69.81 Favored 'General case' 0 CA--C 1.53 0.197 0 CA-C-N 119.149 0.886 . . . . 0.0 110.305 169.848 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 4.6 p -137.29 153.55 50.28 Favored 'General case' 0 N--CA 1.449 -0.494 0 C-N-CA 125.71 1.604 . . . . 0.0 108.642 178.529 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 8.5 tt0 -78.9 -42.68 26.59 Favored 'General case' 0 N--CA 1.451 -0.404 0 C-N-CA 124.614 1.166 . . . . 0.0 109.611 166.671 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 5.8 m -170.18 174.33 5.43 Favored 'General case' 0 CA--C 1.53 0.187 0 C-N-CA 125.93 1.692 . . . . 0.0 107.109 -172.457 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 9.4 p -51.01 -33.13 12.72 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.53 0 C-N-CA 124.115 0.966 . . . . 0.0 113.092 -176.748 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 81.3 mtt-85 -46.99 -44.03 19.84 Favored 'General case' 0 CA--C 1.533 0.309 0 C-N-CA 123.622 0.769 . . . . 0.0 112.262 171.12 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -62.02 -49.7 75.0 Favored 'General case' 0 N--CA 1.451 -0.395 0 N-CA-C 109.253 -0.647 . . . . 0.0 109.253 -179.856 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 10' ' ' CYS . . . . . 0.441 ' SG ' ' HB3' ' A' ' 17' ' ' PRO . 0.1 OUTLIER -61.15 -34.95 75.84 Favored 'General case' 0 C--O 1.218 -0.573 0 C-N-CA 117.157 -1.817 . . . . 0.0 111.172 176.25 . . . . . . . . 3 3 . 1 . 025 nuclear orig full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 40.7 mt-30 -59.98 -39.26 85.09 Favored 'General case' 0 CA--C 1.532 0.288 0 CA-C-N 119.841 1.201 . . . . 0.0 111.306 -178.126 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 18.1 pt20 -68.94 -28.19 66.42 Favored 'General case' 0 N--CA 1.444 -0.748 0 CA-C-N 119.184 0.902 . . . . 0.0 112.071 171.961 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 10.1 t80 -77.59 -36.72 51.65 Favored 'General case' 0 CA--C 1.539 0.539 0 N-CA-C 113.971 1.1 . . . . 0.0 113.971 -179.433 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 7.6 m -141.59 136.48 31.08 Favored 'General case' 0 N--CA 1.462 0.161 0 C-N-CA 127.054 2.141 . . . . 0.0 108.673 -163.271 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -66.61 -23.34 66.16 Favored 'General case' 0 CA--C 1.538 0.484 0 O-C-N 122.25 -0.281 . . . . 0.0 111.502 178.776 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 8.2 m -149.03 80.12 8.12 Favored Pre-proline 0 C--O 1.238 0.477 0 O-C-N 120.991 -1.068 . . . . 0.0 111.507 176.644 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 17' ' ' PRO . . . . . 0.441 ' HB3' ' SG ' ' A' ' 10' ' ' CYS . 6.8 Cg_endo -63.5 162.35 27.94 Favored 'Trans proline' 0 N--CA 1.432 -2.141 0 C-N-CA 122.139 1.892 . . . . 0.0 112.682 174.988 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 25.4 t0 -92.05 -60.69 1.79 Allowed 'General case' 0 N--CA 1.448 -0.566 0 N-CA-C 105.834 -1.913 . . . . 0.0 105.834 172.476 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 1.6 ptt85 -163.53 154.12 15.95 Favored 'General case' 0 N--CA 1.448 -0.552 0 N-CA-C 108.91 -0.774 . . . . 0.0 108.91 -177.999 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 53.3 t -82.23 111.69 18.55 Favored 'General case' 0 N--CA 1.454 -0.247 0 N-CA-C 105.381 -2.081 . . . . 0.0 105.381 146.629 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 2.4 m -156.56 144.32 19.34 Favored 'General case' 0 N--CA 1.449 -0.502 0 N-CA-C 108.686 -0.857 . . . . 0.0 108.686 -172.993 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 35.8 t80 51.22 42.41 28.85 Favored 'General case' 0 CA--C 1.538 0.512 0 CA-C-O 121.572 0.701 . . . . 0.0 110.963 -174.889 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 56.02 17.64 16.9 Favored Glycine 0 CA--C 1.536 1.402 0 C-N-CA 124.317 0.96 . . . . 0.0 114.231 -177.848 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 52.8 m -123.74 131.56 53.62 Favored 'General case' 0 N--CA 1.45 -0.452 0 C-N-CA 126.708 2.003 . . . . 0.0 107.237 -172.764 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 25' ' ' CYS . . . . . . . . . . . . 0.252 0.0 OUTLIER -85.05 90.87 7.95 Favored 'General case' 0 CA--C 1.535 0.385 0 N-CA-C 107.392 -1.336 . . . . 0.0 107.392 172.141 . . . . . . . . 3 3 . 1 . 025 nuclear orig full ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 56.7 m-85 -70.6 135.84 48.74 Favored 'General case' 0 N--CA 1.452 -0.336 0 C-N-CA 124.866 1.267 . . . . 0.0 108.344 177.041 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 13.0 m -121.47 152.15 39.44 Favored 'General case' 0 C--N 1.342 0.265 0 C-N-CA 123.88 0.872 . . . . 0.0 111.545 173.793 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 3.8 ptmm? -130.77 63.09 1.59 Allowed 'General case' 0 C--O 1.234 0.271 0 C-N-CA 123.472 0.709 . . . . 0.0 109.319 -176.852 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 8.0 t -164.65 142.84 6.7 Favored 'General case' 0 N--CA 1.441 -0.889 0 N-CA-C 104.172 -2.529 . . . . 0.0 104.172 176.901 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 10.7 t -167.78 -167.75 0.9 Allowed 'General case' 0 C--N 1.327 -0.397 0 C-N-CA 125.761 1.625 . . . . 0.0 107.3 -179.351 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 31' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.292 0 CA-C-N 117.687 0.221 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 85.3 mt-30 . . . . . 0 CA--C 1.533 0.312 0 N-CA-C 111.972 0.36 . . . . 0.0 111.972 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 22.0 p -136.57 159.37 42.0 Favored 'General case' 0 CA--C 1.514 -0.416 0 C-N-CA 124.684 1.194 . . . . 0.0 109.591 -176.285 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 91.0 mt-30 -99.08 -37.19 9.44 Favored 'General case' 0 N--CA 1.448 -0.528 0 C-N-CA 125.696 1.599 . . . . 0.0 109.043 171.668 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 23.0 m -160.22 164.69 32.56 Favored 'General case' 0 C--O 1.225 -0.232 0 N-CA-C 109.151 -0.685 . . . . 0.0 109.151 -171.224 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 9.8 p -47.69 -37.83 6.01 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.468 0 C-N-CA 123.748 0.819 . . . . 0.0 112.443 -178.433 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 8.6 tmm_? -29.14 -54.03 0.12 Allowed 'General case' 0 CA--C 1.534 0.36 0 C-N-CA 127.826 2.451 . . . . 0.0 113.345 165.207 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 66.8 m-20 -61.46 -47.77 84.19 Favored 'General case' 0 N--CA 1.445 -0.712 0 C-N-CA 125.125 1.37 . . . . 0.0 108.941 -177.708 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 10' ' ' CYS . . . . . 0.503 ' HB3' ' CB ' ' A' ' 17' ' ' PRO . 0.1 OUTLIER -66.82 -32.71 74.16 Favored 'General case' 0 N--CA 1.447 -0.61 0 C-N-CA 118.325 -1.35 . . . . 0.0 112.099 174.954 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 89.1 mt-30 -61.04 -38.14 85.11 Favored 'General case' 0 CA--C 1.53 0.204 0 CA-C-N 120.08 1.309 . . . . 0.0 110.788 -175.516 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 6.7 pt20 -71.24 -35.36 71.42 Favored 'General case' 0 N--CA 1.441 -0.881 0 O-C-N 121.612 -0.68 . . . . 0.0 111.546 171.043 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 17.3 t80 -67.69 -38.71 84.05 Favored 'General case' 0 CA--C 1.54 0.558 0 N-CA-C 114.063 1.134 . . . . 0.0 114.063 -179.593 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 19.2 m -143.28 138.47 29.58 Favored 'General case' 0 CA--C 1.52 -0.177 0 C-N-CA 127.289 2.235 . . . . 0.0 108.618 -162.176 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 3.9 mm? -63.73 -41.85 98.0 Favored 'General case' 0 CA--C 1.532 0.265 0 O-C-N 122.309 -0.244 . . . . 0.0 110.652 177.576 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 18.9 m -129.31 78.84 75.23 Favored Pre-proline 0 C--O 1.236 0.387 0 C-N-CA 123.138 0.575 . . . . 0.0 111.682 -178.831 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 17' ' ' PRO . . . . . 0.523 ' HA ' ' HA ' ' A' ' 27' ' ' CYS . 4.8 Cg_endo -65.38 159.4 47.67 Favored 'Trans proline' 0 N--CA 1.434 -1.997 0 C-N-CA 121.133 1.222 . . . . 0.0 112.668 175.382 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 17.3 t70 -92.41 -61.77 1.54 Allowed 'General case' 0 N--CA 1.448 -0.561 0 N-CA-C 107.677 -1.231 . . . . 0.0 107.677 172.316 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 2.4 ptt180 -158.04 148.7 20.69 Favored 'General case' 0 N--CA 1.445 -0.705 0 C-N-CA 122.674 0.39 . . . . 0.0 110.503 179.065 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 42.0 t -79.67 109.69 14.31 Favored 'General case' 0 N--CA 1.455 -0.178 0 N-CA-C 105.896 -1.89 . . . . 0.0 105.896 149.772 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 2.9 m -161.07 157.43 26.08 Favored 'General case' 0 N--CA 1.449 -0.519 0 N-CA-C 107.319 -1.363 . . . . 0.0 107.319 -173.717 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 16.1 t80 51.61 32.92 9.81 Favored 'General case' 0 CA--C 1.541 0.604 0 C-N-CA 123.128 0.571 . . . . 0.0 112.187 179.376 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 52.67 28.44 30.17 Favored Glycine 0 CA--C 1.533 1.172 0 C-N-CA 124.426 1.012 . . . . 0.0 113.901 -177.591 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 12.0 m -152.94 114.97 4.36 Favored 'General case' 0 C--O 1.226 -0.176 0 N-CA-C 107.315 -1.365 . . . . 0.0 107.315 -175.116 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 25' ' ' CYS . . . . . . . . . . . . 0.254 0.5 OUTLIER -72.94 103.47 3.76 Favored 'General case' 0 CA--C 1.536 0.413 0 CA-C-O 122.591 1.186 . . . . 0.0 110.024 -171.305 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 68.0 m-85 -69.58 132.74 46.7 Favored 'General case' 0 N--CA 1.448 -0.548 0 C-N-CA 125.993 1.717 . . . . 0.0 108.115 179.686 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 27' ' ' CYS . . . . . 0.523 ' HA ' ' HA ' ' A' ' 17' ' ' PRO . 36.8 m . . . . . 0 C--N 1.343 0.285 0 O-C-N 123.623 0.577 . . . . 0.0 111.264 173.869 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 81.0 mt-30 . . . . . 0 CA--C 1.531 0.223 0 N-CA-C 110.251 -0.277 . . . . 0.0 110.251 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 4.5 p -136.41 152.92 51.13 Favored 'General case' 0 N--CA 1.449 -0.48 0 C-N-CA 125.606 1.562 . . . . 0.0 108.774 178.846 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 8.3 tt0 -78.58 -42.08 30.09 Favored 'General case' 0 N--CA 1.452 -0.343 0 C-N-CA 124.733 1.213 . . . . 0.0 109.687 166.414 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 9.7 m -168.57 175.37 6.23 Favored 'General case' 0 CA--C 1.529 0.166 0 C-N-CA 126.419 1.888 . . . . 0.0 106.838 -174.782 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 7.9 p -49.03 -37.93 10.26 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.392 0 C-N-CA 123.683 0.793 . . . . 0.0 112.346 -177.988 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 48.0 ttt85 -47.18 -40.03 15.08 Favored 'General case' 0 CA--C 1.533 0.317 0 C-N-CA 125.117 1.367 . . . . 0.0 112.493 174.63 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -63.83 -47.92 78.89 Favored 'General case' 0 N--CA 1.454 -0.238 0 N-CA-C 109.126 -0.694 . . . . 0.0 109.126 176.771 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 10' ' ' CYS . . . . . 0.472 ' HB3' ' CB ' ' A' ' 17' ' ' PRO . 0.1 OUTLIER -60.25 -33.53 72.42 Favored 'General case' 0 N--CA 1.448 -0.569 0 C-N-CA 117.536 -1.666 . . . . 0.0 111.072 175.372 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 40.9 mt-30 -57.33 -35.89 70.46 Favored 'General case' 0 CA--C 1.536 0.41 0 CA-C-N 120.105 1.321 . . . . 0.0 111.795 -179.075 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 16.2 pt20 -75.6 -29.16 59.17 Favored 'General case' 0 N--CA 1.446 -0.672 0 CA-C-N 119.246 0.93 . . . . 0.0 111.644 172.356 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 4.3 t80 -73.97 -35.89 64.52 Favored 'General case' 0 CA--C 1.542 0.672 0 C-N-CA 124.246 1.018 . . . . 0.0 113.51 -179.734 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 10.3 m -145.89 139.07 26.02 Favored 'General case' 0 N--CA 1.462 0.132 0 C-N-CA 127.19 2.196 . . . . 0.0 107.965 -163.282 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 3.9 mm? -63.17 -41.95 99.32 Favored 'General case' 0 CA--C 1.532 0.287 0 CA-C-O 119.636 -0.221 . . . . 0.0 110.485 176.548 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 14.2 m -130.54 77.64 75.49 Favored Pre-proline 0 CA--C 1.537 0.467 0 C-N-CA 123.075 0.55 . . . . 0.0 111.991 -177.607 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 17' ' ' PRO . . . . . 0.507 ' HA ' ' HA ' ' A' ' 27' ' ' CYS . 5.3 Cg_endo -65.04 160.22 42.72 Favored 'Trans proline' 0 N--CA 1.436 -1.903 0 C-N-CA 121.467 1.445 . . . . 0.0 112.814 176.052 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 27.9 t70 -96.58 -61.36 1.43 Allowed 'General case' 0 N--CA 1.449 -0.49 0 C-N-CA 125.525 1.53 . . . . 0.0 107.401 175.269 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 11.1 ptt180 -158.31 150.95 22.23 Favored 'General case' 0 N--CA 1.44 -0.944 0 C-N-CA 122.623 0.369 . . . . 0.0 110.132 -179.613 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 47.7 t -87.37 110.58 20.35 Favored 'General case' 0 C--N 1.333 -0.144 0 N-CA-C 105.552 -2.018 . . . . 0.0 105.552 151.872 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 3.3 m -160.73 145.08 13.93 Favored 'General case' 0 N--CA 1.45 -0.468 0 N-CA-C 108.097 -1.075 . . . . 0.0 108.097 -169.206 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 79.6 m-85 50.24 41.31 23.98 Favored 'General case' 0 CA--C 1.536 0.41 0 C-N-CA 123.186 0.595 . . . . 0.0 110.767 -172.013 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 55.05 19.43 15.44 Favored Glycine 0 CA--C 1.536 1.354 0 C-N-CA 124.258 0.932 . . . . 0.0 114.069 -178.015 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 62.5 m -124.2 136.19 53.99 Favored 'General case' 0 N--CA 1.45 -0.428 0 C-N-CA 126.595 1.958 . . . . 0.0 107.057 -173.36 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 25' ' ' CYS . . . . . . . . . . . . 0.271 0.1 OUTLIER -92.17 87.87 6.27 Favored 'General case' 0 CA--C 1.537 0.462 0 CA-C-O 122.961 1.362 . . . . 0.0 107.932 175.013 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 39.1 m-85 -64.88 137.49 57.79 Favored 'General case' 0 N--CA 1.454 -0.24 0 C-N-CA 125.081 1.352 . . . . 0.0 108.399 175.984 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 27' ' ' CYS . . . . . 0.507 ' HA ' ' HA ' ' A' ' 17' ' ' PRO . 18.0 m . . . . . 0 C--N 1.343 0.296 0 C-N-CA 123.749 0.82 . . . . 0.0 111.663 174.758 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 85.5 mt-30 . . . . . 0 N--CA 1.457 -0.113 0 N-CA-C 110.067 -0.345 . . . . 0.0 110.067 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 24.7 p -145.1 160.06 42.0 Favored 'General case' 0 N--CA 1.449 -0.49 0 C-N-CA 124.838 1.255 . . . . 0.0 109.949 -168.226 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 34.7 mt-30 -108.85 -25.21 10.9 Favored 'General case' 0 N--CA 1.45 -0.428 0 C-N-CA 125.558 1.543 . . . . 0.0 110.47 173.814 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 11.0 m -162.39 156.67 21.55 Favored 'General case' 0 C--O 1.222 -0.391 0 N-CA-C 108.467 -0.938 . . . . 0.0 108.467 -175.558 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 7.8 p -49.61 -32.6 7.06 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.511 0 N-CA-C 113.179 0.807 . . . . 0.0 113.179 -175.008 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 82.7 mtt85 -46.19 -42.44 14.08 Favored 'General case' 0 CA--C 1.535 0.393 0 C-N-CA 124.668 1.187 . . . . 0.0 112.81 172.894 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 64.2 m-20 -55.0 -52.56 62.73 Favored 'General case' 0 N--CA 1.447 -0.602 0 N-CA-C 108.17 -1.048 . . . . 0.0 108.17 174.665 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 10' ' ' CYS . . . . . 0.449 ' HB3' ' CB ' ' A' ' 17' ' ' PRO . 0.1 OUTLIER -61.11 -36.38 79.57 Favored 'General case' 0 C--O 1.219 -0.514 0 C-N-CA 118.709 -1.196 . . . . 0.0 112.277 174.746 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 39.3 mt-30 -57.42 -37.94 73.57 Favored 'General case' 0 CA--C 1.531 0.239 0 CA-C-N 120.153 1.342 . . . . 0.0 110.815 179.742 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -69.97 -28.44 65.54 Favored 'General case' 0 N--CA 1.446 -0.658 0 O-C-N 121.487 -0.758 . . . . 0.0 110.992 174.163 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 5.8 t80 -80.25 -34.63 36.95 Favored 'General case' 0 CA--C 1.539 0.553 0 C-N-CA 124.443 1.097 . . . . 0.0 113.48 -177.156 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 8.1 m -145.89 139.62 26.42 Favored 'General case' 0 CA--C 1.52 -0.197 0 C-N-CA 126.414 1.886 . . . . 0.0 108.899 -162.614 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 4.0 mm? -61.76 -42.75 99.39 Favored 'General case' 0 CA--C 1.531 0.221 0 N-CA-C 110.187 -0.301 . . . . 0.0 110.187 173.699 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 5.9 m -129.13 72.0 81.99 Favored Pre-proline 0 C--O 1.237 0.442 0 N-CA-C 112.115 0.413 . . . . 0.0 112.115 -172.064 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 17' ' ' PRO . . . . . 0.533 ' HA ' ' HA ' ' A' ' 27' ' ' CYS . 2.1 Cg_endo -66.46 173.85 7.11 Favored 'Trans proline' 0 N--CA 1.431 -2.155 0 CA-C-O 122.765 1.069 . . . . 0.0 113.287 -179.29 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 9.7 t70 -104.84 -61.96 1.4 Allowed 'General case' 0 N--CA 1.44 -0.959 0 CA-C-N 114.558 -1.201 . . . . 0.0 108.175 170.229 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -162.34 152.0 16.06 Favored 'General case' 0 N--CA 1.445 -0.684 0 N-CA-C 108.126 -1.064 . . . . 0.0 108.126 -175.932 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 52.4 t -77.58 110.92 12.8 Favored 'General case' 0 N--CA 1.448 -0.555 0 N-CA-C 105.711 -1.959 . . . . 0.0 105.711 146.009 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 2.1 m -152.62 142.4 22.0 Favored 'General case' 0 N--CA 1.449 -0.521 0 N-CA-C 108.8 -0.815 . . . . 0.0 108.8 -174.182 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 72.8 m-85 50.43 42.16 25.89 Favored 'General case' 0 CA--C 1.537 0.456 0 C-N-CA 123.773 0.829 . . . . 0.0 110.87 -170.346 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 55.48 18.34 15.11 Favored Glycine 0 CA--C 1.534 1.227 0 C-N-CA 124.145 0.879 . . . . 0.0 113.883 -178.288 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 56.6 m -123.46 136.44 54.59 Favored 'General case' 0 N--CA 1.45 -0.466 0 C-N-CA 126.589 1.956 . . . . 0.0 106.29 -174.13 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 25' ' ' CYS . . . . . . . . . . . . 0.261 0.0 OUTLIER -85.82 91.78 8.43 Favored 'General case' 0 CA--C 1.534 0.338 0 N-CA-C 107.338 -1.356 . . . . 0.0 107.338 174.342 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 13.5 m-85 -64.19 130.03 42.31 Favored 'General case' 0 N--CA 1.451 -0.375 0 N-CA-C 106.988 -1.486 . . . . 0.0 106.988 172.889 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 27' ' ' CYS . . . . . 0.533 ' HA ' ' HA ' ' A' ' 17' ' ' PRO . 11.1 m . . . . . 0 CA--C 1.514 -0.419 0 CA-C-N 118.202 0.455 . . . . 0.0 110.462 166.264 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 77.0 mt-30 . . . . . 0 CA--C 1.53 0.204 0 N-CA-C 111.628 0.233 . . . . 0.0 111.628 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 12.5 p -146.24 157.0 43.78 Favored 'General case' 0 N--CA 1.45 -0.432 0 C-N-CA 124.892 1.277 . . . . 0.0 108.664 -178.315 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 20.8 tt0 -90.59 -40.99 11.61 Favored 'General case' 0 N--CA 1.446 -0.648 0 C-N-CA 125.965 1.706 . . . . 0.0 108.098 171.733 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 13.1 m -162.97 170.29 18.32 Favored 'General case' 0 C--O 1.224 -0.289 0 N-CA-C 108.819 -0.808 . . . . 0.0 108.819 -170.299 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 7.6 p -50.64 -34.14 12.26 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.583 0 O-C-N 121.313 -0.867 . . . . 0.0 112.455 179.739 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 17.6 mtm105 -39.95 -45.12 1.82 Allowed 'General case' 0 N--CA 1.467 0.388 0 C-N-CA 125.627 1.571 . . . . 0.0 113.08 170.432 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 40.3 m-20 -61.74 -55.77 26.71 Favored 'General case' 0 N--CA 1.449 -0.52 0 C-N-CA 124.238 1.015 . . . . 0.0 108.655 178.965 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 10' ' ' CYS . . . . . 0.476 ' HB3' ' CB ' ' A' ' 17' ' ' PRO . 0.1 OUTLIER -59.9 -33.16 71.48 Favored 'General case' 0 C--O 1.218 -0.564 0 C-N-CA 118.898 -1.121 . . . . 0.0 111.809 178.737 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 40.9 mt-30 -59.71 -26.26 65.47 Favored 'General case' 0 CA--C 1.533 0.305 0 CA-C-N 120.147 1.339 . . . . 0.0 111.323 -179.226 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 33.9 mt-30 -78.79 -42.45 27.83 Favored 'General case' 0 CA--C 1.532 0.272 0 N-CA-C 109.43 -0.582 . . . . 0.0 109.43 173.071 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 27.3 t80 -65.15 -40.97 95.1 Favored 'General case' 0 CA--C 1.536 0.433 0 N-CA-C 113.722 1.008 . . . . 0.0 113.722 -177.576 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 14.0 m -136.64 139.73 42.25 Favored 'General case' 0 C--N 1.332 -0.189 0 C-N-CA 127.499 2.32 . . . . 0.0 108.791 -164.929 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -61.66 -47.77 83.85 Favored 'General case' 0 CA--C 1.534 0.34 0 N-CA-C 109.476 -0.565 . . . . 0.0 109.476 175.095 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 24.2 m -125.2 84.45 59.5 Favored Pre-proline 0 C--O 1.24 0.58 0 C-N-CA 123.553 0.741 . . . . 0.0 110.923 -178.958 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 17' ' ' PRO . . . . . 0.558 ' HA ' ' HA ' ' A' ' 27' ' ' CYS . 6.7 Cg_endo -69.22 161.36 46.17 Favored 'Trans proline' 0 N--CA 1.436 -1.899 0 C-N-CA 121.749 1.633 . . . . 0.0 113.045 172.245 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 25.7 t0 -93.84 -62.28 1.38 Allowed 'General case' 0 N--CA 1.45 -0.455 0 C-N-CA 125.205 1.402 . . . . 0.0 107.422 173.976 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 3.9 ptt180 -158.65 154.4 26.39 Favored 'General case' 0 N--CA 1.444 -0.767 0 C-N-CA 123.592 0.757 . . . . 0.0 110.058 -179.655 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 43.6 t -88.13 111.5 21.65 Favored 'General case' 0 C--N 1.332 -0.165 0 N-CA-C 105.528 -2.027 . . . . 0.0 105.528 150.787 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 3.0 m -163.08 153.44 16.21 Favored 'General case' 0 N--CA 1.45 -0.441 0 C-N-CA 123.536 0.734 . . . . 0.0 109.175 -168.965 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 8.9 t80 51.0 37.61 18.21 Favored 'General case' 0 CA--C 1.539 0.538 0 C-N-CA 123.407 0.683 . . . . 0.0 111.46 -179.839 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 53.58 40.38 62.55 Favored Glycine 0 CA--C 1.531 1.069 0 C-N-CA 124.054 0.835 . . . . 0.0 112.84 -175.785 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 17.1 m -152.36 146.84 25.66 Favored 'General case' 0 N--CA 1.455 -0.183 0 N-CA-C 107.803 -1.184 . . . . 0.0 107.803 -179.727 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 25' ' ' CYS . . . . . . . . . . . . 0.267 0.1 OUTLIER -94.75 92.88 7.2 Favored 'General case' 0 CA--C 1.534 0.336 0 CA-C-O 122.903 1.335 . . . . 0.0 108.023 173.209 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 7.6 m-85 -67.64 134.78 51.75 Favored 'General case' 0 N--CA 1.453 -0.314 0 C-N-CA 125.695 1.598 . . . . 0.0 107.641 177.367 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 27' ' ' CYS . . . . . 0.558 ' HA ' ' HA ' ' A' ' 17' ' ' PRO . 26.7 m . . . . . 0 C--N 1.343 0.311 0 CA-C-N 118.89 0.768 . . . . 0.0 112.188 172.32 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 82.2 mt-30 . . . . . 0 CA--C 1.531 0.243 0 CA-C-O 121.158 0.504 . . . . 0.0 110.0 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 9.0 p -139.83 164.2 30.6 Favored 'General case' 0 N--CA 1.449 -0.486 0 C-N-CA 126.396 1.878 . . . . 0.0 108.729 -174.938 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 24.9 tt0 -101.44 -37.16 8.56 Favored 'General case' 0 N--CA 1.451 -0.398 0 C-N-CA 125.838 1.655 . . . . 0.0 109.452 169.591 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 1.8 p -154.19 172.87 16.91 Favored 'General case' 0 CA--C 1.511 -0.525 0 CA-C-O 122.057 0.932 . . . . 0.0 110.759 179.368 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 9.9 p -51.47 -35.38 16.52 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.691 0 CA-C-N 115.263 -0.88 . . . . 0.0 111.767 -176.65 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 99.2 mtt180 -51.12 -41.19 59.88 Favored 'General case' 0 CA--C 1.533 0.298 0 C-N-CA 125.436 1.495 . . . . 0.0 112.81 176.758 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 35.2 m-20 -56.06 -52.63 63.59 Favored 'General case' 0 N--CA 1.45 -0.452 0 N-CA-C 108.191 -1.04 . . . . 0.0 108.191 173.908 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 10' ' ' CYS . . . . . 0.462 ' HB3' ' CB ' ' A' ' 17' ' ' PRO . 0.1 OUTLIER -62.36 -33.13 74.12 Favored 'General case' 0 C--O 1.216 -0.684 0 C-N-CA 118.709 -1.197 . . . . 0.0 111.75 177.15 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 40.7 mt-30 -59.71 -28.28 67.19 Favored 'General case' 0 CA--C 1.534 0.347 0 CA-C-N 120.34 1.427 . . . . 0.0 110.798 -179.097 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 34.2 mt-30 -73.2 -44.93 58.97 Favored 'General case' 0 CA--C 1.533 0.32 0 O-C-N 122.011 -0.431 . . . . 0.0 110.027 170.719 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 23.1 t80 -64.2 -37.72 88.49 Favored 'General case' 0 CA--C 1.537 0.455 0 N-CA-C 114.023 1.12 . . . . 0.0 114.023 -176.714 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 19.8 m -141.62 138.86 32.87 Favored 'General case' 0 C--N 1.332 -0.182 0 C-N-CA 127.889 2.476 . . . . 0.0 108.075 -164.126 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -63.4 -44.8 93.61 Favored 'General case' 0 CA--C 1.535 0.397 0 N-CA-C 109.903 -0.406 . . . . 0.0 109.903 176.999 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 23.4 m -127.03 79.96 72.21 Favored Pre-proline 0 CA--C 1.536 0.425 0 C-N-CA 123.413 0.685 . . . . 0.0 111.902 -178.979 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 17' ' ' PRO . . . . . 0.505 ' HA ' ' HA ' ' A' ' 27' ' ' CYS . 6.9 Cg_endo -64.0 158.83 45.45 Favored 'Trans proline' 0 N--CA 1.434 -1.992 0 C-N-CA 122.117 1.878 . . . . 0.0 112.448 173.286 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 29.7 t0 -87.37 -61.43 1.72 Allowed 'General case' 0 N--CA 1.446 -0.636 0 N-CA-C 106.227 -1.768 . . . . 0.0 106.227 171.79 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -162.51 153.12 17.02 Favored 'General case' 0 N--CA 1.449 -0.484 0 N-CA-C 109.151 -0.685 . . . . 0.0 109.151 -177.007 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 52.6 t -83.76 111.46 19.19 Favored 'General case' 0 N--CA 1.454 -0.238 0 N-CA-C 105.498 -2.038 . . . . 0.0 105.498 146.359 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 3.1 m -159.56 153.57 23.34 Favored 'General case' 0 N--CA 1.45 -0.472 0 N-CA-C 108.256 -1.016 . . . . 0.0 108.256 -171.977 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 16.3 t80 50.83 37.73 17.9 Favored 'General case' 0 CA--C 1.539 0.538 0 CA-C-O 121.488 0.661 . . . . 0.0 111.487 -178.026 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 51.92 41.75 52.56 Favored Glycine 0 CA--C 1.532 1.103 0 C-N-CA 123.638 0.637 . . . . 0.0 112.238 -174.695 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 4.5 m -152.78 139.63 19.03 Favored 'General case' 0 N--CA 1.453 -0.276 0 O-C-N 121.484 -1.01 . . . . 0.0 108.468 -174.49 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 25' ' ' CYS . . . . . . . . . . . . 0.28 0.0 OUTLIER -92.48 90.75 7.31 Favored 'General case' 0 CA--C 1.535 0.403 0 CA-C-O 122.99 1.376 . . . . 0.0 108.305 176.318 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 66.5 m-85 -72.61 139.79 47.62 Favored 'General case' 0 N--CA 1.452 -0.347 0 C-N-CA 125.931 1.692 . . . . 0.0 108.972 178.852 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 27' ' ' CYS . . . . . 0.505 ' HA ' ' HA ' ' A' ' 17' ' ' PRO . 20.6 m . . . . . 0 C--N 1.344 0.341 0 C-N-CA 123.748 0.819 . . . . 0.0 112.501 177.596 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 86.6 mt-30 . . . . . 0 CA--C 1.529 0.135 0 CA-C-O 121.098 0.475 . . . . 0.0 109.926 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 4' ' ' CYS . . . . . 0.471 ' HB2' ' HB2' ' A' ' 9' ' ' ASP . 19.2 p -139.5 153.89 47.59 Favored 'General case' 0 N--CA 1.448 -0.568 0 C-N-CA 125.649 1.58 . . . . 0.0 109.156 -172.837 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 76.5 mt-30 -98.77 -31.67 11.76 Favored 'General case' 0 N--CA 1.449 -0.485 0 C-N-CA 125.404 1.482 . . . . 0.0 109.118 171.717 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 1.9 p -157.69 174.52 15.21 Favored 'General case' 0 CA--C 1.509 -0.616 0 CA-C-O 122.172 0.987 . . . . 0.0 110.435 179.085 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 9.3 p -51.55 -35.13 16.51 Favored 'Isoleucine or valine' 0 N--CA 1.443 -0.805 0 CA-C-N 114.881 -1.054 . . . . 0.0 111.422 -179.173 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 99.5 mtt180 -42.06 -50.16 4.7 Favored 'General case' 0 CA--C 1.534 0.343 0 C-N-CA 126.121 1.769 . . . . 0.0 112.574 172.256 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 9' ' ' ASP . . . . . 0.471 ' HB2' ' HB2' ' A' ' 4' ' ' CYS . 33.1 m-20 -58.27 -51.32 70.28 Favored 'General case' 0 N--CA 1.447 -0.621 0 C-N-CA 124.092 0.957 . . . . 0.0 108.493 -179.692 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 10' ' ' CYS . . . . . 0.492 ' SG ' ' HB3' ' A' ' 17' ' ' PRO . 0.3 OUTLIER -60.67 -38.7 85.79 Favored 'General case' 0 C--O 1.22 -0.478 0 C-N-CA 118.604 -1.239 . . . . 0.0 111.087 176.015 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 41.3 mt-30 -58.1 -38.39 76.34 Favored 'General case' 0 N--CA 1.463 0.184 0 CA-C-N 119.663 1.12 . . . . 0.0 110.004 -179.074 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -60.08 -43.24 95.63 Favored 'General case' 0 CA--C 1.534 0.352 0 O-C-N 121.96 -0.462 . . . . 0.0 110.638 172.877 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 26.0 m-85 -80.14 -22.13 42.39 Favored 'General case' 0 CA--C 1.543 0.71 0 N-CA-C 114.782 1.401 . . . . 0.0 114.782 -176.695 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 24.4 m -150.06 135.85 18.48 Favored 'General case' 0 N--CA 1.463 0.199 0 C-N-CA 125.486 1.514 . . . . 0.0 109.205 -165.436 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 4.0 mm? -63.36 -42.03 98.87 Favored 'General case' 0 CA--C 1.533 0.307 0 CA-C-O 119.563 -0.256 . . . . 0.0 110.749 177.372 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 19.1 m -128.53 78.77 75.33 Favored Pre-proline 0 CA--C 1.535 0.403 0 C-N-CA 123.091 0.556 . . . . 0.0 111.91 -177.64 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 17' ' ' PRO . . . . . 0.492 ' HB3' ' SG ' ' A' ' 10' ' ' CYS . 1.5 Cg_endo -64.46 153.22 78.2 Favored 'Trans proline' 0 N--CA 1.433 -2.041 0 C-N-CA 120.849 1.032 . . . . 0.0 113.372 176.619 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 30.7 t0 -78.69 -60.67 2.28 Favored 'General case' 0 N--CA 1.447 -0.58 0 N-CA-C 106.314 -1.735 . . . . 0.0 106.314 169.526 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 1.2 ptt85 -162.21 160.75 27.39 Favored 'General case' 0 N--CA 1.451 -0.382 0 N-CA-C 108.553 -0.906 . . . . 0.0 108.553 -177.756 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 43.3 t -89.0 118.15 28.52 Favored 'General case' 0 N--CA 1.454 -0.263 0 N-CA-C 105.25 -2.13 . . . . 0.0 105.25 143.453 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 2.1 m -158.64 144.99 17.08 Favored 'General case' 0 N--CA 1.45 -0.451 0 CA-C-N 118.837 0.744 . . . . 0.0 108.998 -171.601 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 94.8 m-85 49.29 43.77 23.15 Favored 'General case' 0 CA--C 1.537 0.452 0 C-N-CA 123.501 0.72 . . . . 0.0 111.309 -173.857 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 53.95 22.46 19.94 Favored Glycine 0 CA--C 1.532 1.142 0 C-N-CA 123.97 0.795 . . . . 0.0 113.538 -177.991 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 60.9 m -128.08 136.47 51.25 Favored 'General case' 0 N--CA 1.451 -0.415 0 C-N-CA 126.154 1.782 . . . . 0.0 107.035 -173.592 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -88.31 116.5 26.56 Favored 'General case' 0 CA--C 1.534 0.339 0 N-CA-C 107.033 -1.469 . . . . 0.0 107.033 170.758 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 48.9 m-85 -103.05 138.49 39.83 Favored 'General case' 0 N--CA 1.452 -0.355 0 C-N-CA 126.938 2.095 . . . . 0.0 107.321 -177.98 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 27' ' ' CYS . . . . . 0.474 ' HA ' ' HA ' ' A' ' 17' ' ' PRO . 27.3 m . . . . . 0 C--N 1.343 0.293 0 CA-C-N 118.851 0.75 . . . . 0.0 112.649 -178.478 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 81.3 mt-30 . . . . . 0 CA--C 1.531 0.238 0 CA-C-O 121.143 0.497 . . . . 0.0 109.994 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 9.5 p -154.81 170.11 22.39 Favored 'General case' 0 N--CA 1.445 -0.694 0 C-N-CA 126.46 1.904 . . . . 0.0 107.556 -174.8 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 6.8 tt0 -107.26 -34.92 6.96 Favored 'General case' 0 N--CA 1.451 -0.391 0 C-N-CA 127.098 2.159 . . . . 0.0 109.81 169.333 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 25.3 m -157.48 161.13 38.86 Favored 'General case' 0 C--O 1.224 -0.269 0 O-C-N 121.476 -0.765 . . . . 0.0 109.397 -175.491 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 9.2 p -52.24 -33.3 16.85 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.558 0 O-C-N 121.204 -0.935 . . . . 0.0 112.528 -174.447 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -27.18 -51.31 0.06 Allowed 'General case' 0 CA--C 1.536 0.424 0 C-N-CA 127.932 2.493 . . . . 0.0 112.912 162.197 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 69.3 m-20 -71.85 -49.97 33.64 Favored 'General case' 0 N--CA 1.445 -0.691 0 C-N-CA 126.85 2.06 . . . . 0.0 108.962 -173.744 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 10' ' ' CYS . . . . . 0.464 ' HB3' ' CB ' ' A' ' 17' ' ' PRO . 0.2 OUTLIER -58.7 -31.19 68.02 Favored 'General case' 0 C--O 1.219 -0.539 0 C-N-CA 118.156 -1.417 . . . . 0.0 110.781 173.667 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 41.4 mt-30 -63.54 -15.36 57.76 Favored 'General case' 0 CA--C 1.54 0.572 0 CA-C-N 120.34 1.427 . . . . 0.0 112.05 179.87 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 33.9 mt-30 -80.14 -49.1 12.17 Favored 'General case' 0 C--N 1.342 0.28 0 CA-C-N 119.233 0.924 . . . . 0.0 110.007 162.776 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 23.7 t80 -62.42 -37.8 87.23 Favored 'General case' 0 CA--C 1.538 0.493 0 N-CA-C 113.783 1.031 . . . . 0.0 113.783 -170.249 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 16.8 m -136.52 143.83 43.94 Favored 'General case' 0 C--N 1.331 -0.209 0 C-N-CA 127.653 2.381 . . . . 0.0 108.303 -168.341 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -63.16 -47.89 80.73 Favored 'General case' 0 CA--C 1.535 0.372 0 N-CA-C 109.186 -0.672 . . . . 0.0 109.186 174.677 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 6.8 m -126.93 78.13 74.21 Favored Pre-proline 0 CA--C 1.533 0.321 0 C-N-CA 123.412 0.685 . . . . 0.0 111.691 -175.728 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 17' ' ' PRO . . . . . 0.48 ' HA ' ' HA ' ' A' ' 27' ' ' CYS . 5.3 Cg_endo -64.81 158.95 48.09 Favored 'Trans proline' 0 N--CA 1.434 -1.975 0 C-N-CA 121.667 1.578 . . . . 0.0 112.821 176.244 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 28.5 t0 -89.32 -61.89 1.6 Allowed 'General case' 0 N--CA 1.447 -0.586 0 N-CA-C 106.13 -1.804 . . . . 0.0 106.13 172.445 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 1.3 ptt85 -163.44 152.93 14.88 Favored 'General case' 0 N--CA 1.45 -0.463 0 N-CA-C 108.77 -0.826 . . . . 0.0 108.77 -177.862 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 45.3 t -80.78 110.93 16.76 Favored 'General case' 0 N--CA 1.454 -0.268 0 N-CA-C 105.657 -1.979 . . . . 0.0 105.657 147.12 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 2.8 m -158.51 145.5 17.6 Favored 'General case' 0 N--CA 1.448 -0.547 0 N-CA-C 108.323 -0.991 . . . . 0.0 108.323 -173.261 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 23.5 t80 54.77 40.23 31.82 Favored 'General case' 0 CA--C 1.539 0.524 0 CA-C-O 121.349 0.595 . . . . 0.0 110.948 -178.849 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 59.73 10.93 14.4 Favored Glycine 0 CA--C 1.537 1.458 0 C-N-CA 124.364 0.983 . . . . 0.0 114.294 -177.231 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 39.7 m -120.81 134.91 55.28 Favored 'General case' 0 N--CA 1.45 -0.452 0 C-N-CA 126.194 1.798 . . . . 0.0 107.572 -170.876 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 25' ' ' CYS . . . . . . . . . . . . 0.296 0.1 OUTLIER -88.68 85.37 6.78 Favored 'General case' 0 CA--C 1.534 0.358 0 CA-C-O 123.165 1.459 . . . . 0.0 107.313 171.402 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 58.2 m-85 -65.21 141.31 58.69 Favored 'General case' 0 N--CA 1.454 -0.246 0 C-N-CA 125.614 1.565 . . . . 0.0 108.637 179.388 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 27' ' ' CYS . . . . . 0.48 ' HA ' ' HA ' ' A' ' 17' ' ' PRO . 28.2 m . . . . . 0 C--N 1.345 0.371 0 N-CA-C 113.517 0.932 . . . . 0.0 113.517 -179.659 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 87.4 mt-30 . . . . . 0 CA--C 1.528 0.128 0 N-CA-C 109.946 -0.39 . . . . 0.0 109.946 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 6.6 p -131.03 142.78 50.35 Favored 'General case' 0 CA--C 1.514 -0.419 0 C-N-CA 125.201 1.4 . . . . 0.0 109.892 -169.781 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 31.9 mt-30 -75.95 -32.44 59.55 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.056 -0.974 . . . . 0.0 110.041 175.8 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 4.4 m -173.9 170.68 3.84 Favored 'General case' 0 N--CA 1.457 -0.11 0 C-N-CA 126.287 1.835 . . . . 0.0 106.721 -173.308 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 8.5 p -48.57 -37.92 8.81 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.373 0 C-N-CA 123.744 0.818 . . . . 0.0 112.382 -177.476 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 2.1 mpt_? -43.76 -44.32 6.61 Favored 'General case' 0 CA--C 1.533 0.289 0 C-N-CA 124.761 1.224 . . . . 0.0 112.112 173.66 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -64.19 -45.55 87.85 Favored 'General case' 0 N--CA 1.45 -0.437 0 O-C-N 121.835 -0.541 . . . . 0.0 109.84 -179.663 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 10' ' ' CYS . . . . . 0.453 ' SG ' ' HB3' ' A' ' 17' ' ' PRO . 0.5 OUTLIER -60.73 -35.18 75.71 Favored 'General case' 0 C--O 1.219 -0.517 0 C-N-CA 117.745 -1.582 . . . . 0.0 110.64 172.049 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 40.8 mt-30 -60.17 -35.01 74.39 Favored 'General case' 0 CA--C 1.534 0.334 0 CA-C-N 120.016 1.28 . . . . 0.0 110.35 178.72 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 31.5 mt-30 -57.61 -44.84 85.77 Favored 'General case' 0 CA--C 1.537 0.448 0 O-C-N 121.797 -0.564 . . . . 0.0 110.017 169.325 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 2.8 t80 -73.98 -33.2 63.75 Favored 'General case' 0 CA--C 1.54 0.563 0 C-N-CA 124.857 1.263 . . . . 0.0 114.121 -173.382 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 23.2 m -147.75 139.43 23.91 Favored 'General case' 0 C--O 1.225 -0.196 0 C-N-CA 126.001 1.72 . . . . 0.0 109.178 -159.716 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -59.66 -49.58 77.2 Favored 'General case' 0 CA--C 1.535 0.391 0 N-CA-C 109.771 -0.455 . . . . 0.0 109.771 176.251 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 5.7 m -128.75 77.48 77.53 Favored Pre-proline 0 CA--C 1.534 0.363 0 C-N-CA 123.271 0.628 . . . . 0.0 112.057 -174.498 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 17' ' ' PRO . . . . . 0.461 ' HA ' ' HA ' ' A' ' 27' ' ' CYS . 1.0 OUTLIER -62.56 147.84 94.22 Favored 'Trans proline' 0 N--CA 1.436 -1.854 0 C-N-CA 121.884 1.723 . . . . 0.0 112.353 176.651 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 25.1 t0 -71.79 -57.91 3.93 Favored 'General case' 0 N--CA 1.449 -0.494 0 N-CA-C 106.505 -1.665 . . . . 0.0 106.505 169.493 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -161.96 162.0 28.84 Favored 'General case' 0 N--CA 1.452 -0.36 0 N-CA-C 109.15 -0.685 . . . . 0.0 109.15 -177.368 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 54.0 t -92.99 120.05 32.89 Favored 'General case' 0 N--CA 1.456 -0.171 0 N-CA-C 104.886 -2.265 . . . . 0.0 104.886 141.589 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 2.2 m -161.12 143.81 12.53 Favored 'General case' 0 N--CA 1.451 -0.396 0 N-CA-C 108.271 -1.011 . . . . 0.0 108.271 -170.439 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 48.4 t80 51.17 43.09 29.33 Favored 'General case' 0 CA--C 1.538 0.502 0 CA-C-O 121.476 0.655 . . . . 0.0 110.921 -175.875 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 54.24 21.78 19.98 Favored Glycine 0 CA--C 1.534 1.23 0 C-N-CA 124.152 0.882 . . . . 0.0 113.85 -177.731 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 63.8 m -128.39 136.4 50.84 Favored 'General case' 0 N--CA 1.452 -0.357 0 C-N-CA 125.962 1.705 . . . . 0.0 107.133 -172.737 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -92.21 117.43 29.87 Favored 'General case' 0 CA--C 1.53 0.194 0 N-CA-C 107.151 -1.426 . . . . 0.0 107.151 172.86 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 50.5 m-85 -109.13 138.86 44.82 Favored 'General case' 0 N--CA 1.452 -0.338 0 C-N-CA 127.016 2.126 . . . . 0.0 107.583 -172.914 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 27' ' ' CYS . . . . . 0.461 ' HA ' ' HA ' ' A' ' 17' ' ' PRO . 22.3 m . . . . . 0 C--N 1.343 0.286 0 C-N-CA 123.731 0.813 . . . . 0.0 112.333 -176.566 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 80.4 mt-30 . . . . . 0 CA--C 1.529 0.16 0 N-CA-C 109.32 -0.622 . . . . 0.0 109.32 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 4.6 p -132.72 154.44 50.19 Favored 'General case' 0 N--CA 1.448 -0.541 0 C-N-CA 126.198 1.799 . . . . 0.0 109.73 -173.664 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 7.4 tt0 -79.26 -42.78 25.09 Favored 'General case' 0 CA--C 1.532 0.271 0 C-N-CA 124.976 1.31 . . . . 0.0 110.323 165.717 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 20.7 m -166.61 175.11 8.2 Favored 'General case' 0 CA--C 1.53 0.209 0 C-N-CA 126.023 1.729 . . . . 0.0 107.147 -173.523 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 8.5 p -54.84 -35.83 35.14 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.498 0 CA-C-N 118.998 0.817 . . . . 0.0 112.312 -177.274 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 3.7 mpt_? -51.51 -34.79 37.63 Favored 'General case' 0 CA--C 1.533 0.306 0 C-N-CA 123.842 0.857 . . . . 0.0 112.025 172.876 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -63.37 -53.57 50.35 Favored 'General case' 0 N--CA 1.453 -0.284 0 N-CA-C 108.384 -0.969 . . . . 0.0 108.384 173.987 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 10' ' ' CYS . . . . . 0.486 ' SG ' ' HB3' ' A' ' 17' ' ' PRO . 0.5 OUTLIER -55.67 -33.28 63.97 Favored 'General case' 0 C--O 1.221 -0.431 0 C-N-CA 117.924 -1.511 . . . . 0.0 111.478 178.455 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 38.1 mt-30 -56.38 -31.48 63.88 Favored 'General case' 0 CA--C 1.539 0.547 0 CA-C-N 119.189 0.904 . . . . 0.0 112.133 178.778 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 11.2 pt20 -79.04 -34.72 43.58 Favored 'General case' 0 N--CA 1.445 -0.719 0 CA-C-N 120.046 1.294 . . . . 0.0 111.249 172.318 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 77.5 m-85 -69.58 -30.69 68.53 Favored 'General case' 0 CA--C 1.543 0.681 0 N-CA-C 113.816 1.043 . . . . 0.0 113.816 176.76 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 18.4 m -147.46 138.34 23.53 Favored 'General case' 0 N--CA 1.463 0.176 0 C-N-CA 125.197 1.399 . . . . 0.0 109.607 -161.383 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 5.6 mp -69.72 -23.96 63.49 Favored 'General case' 0 CA--C 1.533 0.326 0 C-N-CA 122.753 0.421 . . . . 0.0 111.958 177.815 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 11.7 m -148.09 75.83 10.57 Favored Pre-proline 0 C--O 1.236 0.35 0 O-C-N 121.242 -0.911 . . . . 0.0 111.482 178.353 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 17' ' ' PRO . . . . . 0.486 ' HB3' ' SG ' ' A' ' 10' ' ' CYS . 4.8 Cg_endo -64.06 153.15 77.73 Favored 'Trans proline' 0 N--CA 1.432 -2.116 0 C-N-CA 122.148 1.899 . . . . 0.0 112.17 177.082 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 28.8 t0 -83.08 -61.45 1.85 Allowed 'General case' 0 N--CA 1.445 -0.709 0 N-CA-C 106.677 -1.601 . . . . 0.0 106.677 169.946 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 1.4 ptt85 -163.06 153.1 15.89 Favored 'General case' 0 N--CA 1.45 -0.472 0 N-CA-C 109.272 -0.64 . . . . 0.0 109.272 -176.867 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 43.2 t -81.29 109.46 15.82 Favored 'General case' 0 N--CA 1.453 -0.282 0 N-CA-C 105.591 -2.003 . . . . 0.0 105.591 147.335 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 2.8 m -155.75 141.93 18.36 Favored 'General case' 0 N--CA 1.447 -0.586 0 N-CA-C 108.894 -0.78 . . . . 0.0 108.894 -172.975 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 16.7 t80 52.04 43.13 30.66 Favored 'General case' 0 CA--C 1.538 0.516 0 CA-C-O 121.549 0.69 . . . . 0.0 110.787 -175.428 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 59.5 9.62 9.52 Favored Glycine 0 CA--C 1.536 1.356 0 C-N-CA 124.465 1.031 . . . . 0.0 114.483 -178.005 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 33.3 m -116.36 132.14 56.75 Favored 'General case' 0 N--CA 1.448 -0.534 0 C-N-CA 126.031 1.732 . . . . 0.0 107.322 -172.316 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 25' ' ' CYS . . . . . . . . . . . . 0.282 0.0 OUTLIER -87.16 85.49 7.21 Favored 'General case' 0 CA--C 1.533 0.313 0 CA-C-O 123.245 1.498 . . . . 0.0 107.107 172.506 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 56.2 m-85 -64.84 136.63 57.09 Favored 'General case' 0 N--CA 1.451 -0.401 0 C-N-CA 125.124 1.37 . . . . 0.0 108.652 178.48 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 27' ' ' CYS . . . . . 0.475 ' HA ' ' HA ' ' A' ' 17' ' ' PRO . 11.6 m . . . . . 0 CA--C 1.518 -0.286 0 C-N-CA 124.361 1.064 . . . . 0.0 110.476 175.887 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 79.4 mt-30 . . . . . 0 N--CA 1.463 0.175 0 CA-C-O 120.732 0.301 . . . . 0.0 110.264 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 23.4 p -157.18 167.01 31.63 Favored 'General case' 0 N--CA 1.449 -0.487 0 C-N-CA 124.776 1.23 . . . . 0.0 108.684 -172.502 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 38.8 mt-30 -115.01 -26.59 7.67 Favored 'General case' 0 N--CA 1.451 -0.376 0 C-N-CA 126.051 1.74 . . . . 0.0 110.983 169.694 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 14.2 m -160.64 156.42 25.55 Favored 'General case' 0 C--O 1.224 -0.239 0 CA-C-N 119.522 1.055 . . . . 0.0 108.684 -175.748 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 8.5 p -46.18 -37.86 3.02 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.419 0 N-CA-C 113.639 0.977 . . . . 0.0 113.639 -171.512 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 94.6 mtt-85 -45.14 -43.34 9.8 Favored 'General case' 0 CA--C 1.533 0.32 0 C-N-CA 125.049 1.339 . . . . 0.0 113.105 175.232 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 69.2 m-20 -54.25 -53.88 47.69 Favored 'General case' 0 N--CA 1.447 -0.608 0 C-N-CA 124.213 1.005 . . . . 0.0 108.449 175.545 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 10' ' ' CYS . . . . . 0.486 ' HB3' ' CB ' ' A' ' 17' ' ' PRO . 0.5 OUTLIER -64.32 -32.9 74.68 Favored 'General case' 0 C--O 1.216 -0.66 0 C-N-CA 118.629 -1.228 . . . . 0.0 111.66 176.563 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 43.7 mt-30 -59.13 -33.52 70.97 Favored 'General case' 0 N--CA 1.465 0.313 0 CA-C-N 120.705 1.593 . . . . 0.0 110.204 -179.785 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -65.87 -42.66 90.06 Favored 'General case' 0 CA--C 1.536 0.405 0 O-C-N 121.988 -0.445 . . . . 0.0 110.289 170.459 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 7.1 t80 -71.41 -35.21 70.91 Favored 'General case' 0 CA--C 1.542 0.652 0 N-CA-C 114.921 1.452 . . . . 0.0 114.921 -174.494 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 6.6 m -143.61 146.48 33.32 Favored 'General case' 0 N--CA 1.465 0.321 0 C-N-CA 126.718 2.007 . . . . 0.0 109.761 -161.236 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -64.1 -54.0 40.83 Favored 'General case' 0 CA--C 1.533 0.32 0 N-CA-C 109.878 -0.416 . . . . 0.0 109.878 178.885 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 20.2 m -127.41 82.98 67.23 Favored Pre-proline 0 C--N 1.342 0.251 0 CA-C-N 117.944 0.338 . . . . 0.0 110.842 179.803 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 17' ' ' PRO . . . . . 0.486 ' CB ' ' HB3' ' A' ' 10' ' ' CYS . 2.2 Cg_endo -60.93 143.03 99.26 Favored 'Trans proline' 0 N--CA 1.434 -1.998 0 C-N-CA 121.372 1.382 . . . . 0.0 112.462 175.949 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 18' ' ' ASP . . . . . 0.424 ' H ' ' HA ' ' A' ' 27' ' ' CYS . 22.7 t0 -70.27 -58.64 3.54 Favored 'General case' 0 N--CA 1.449 -0.5 0 N-CA-C 106.358 -1.719 . . . . 0.0 106.358 170.286 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -163.84 154.69 15.85 Favored 'General case' 0 N--CA 1.45 -0.475 0 N-CA-C 108.867 -0.79 . . . . 0.0 108.867 -177.193 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 51.0 t -83.0 116.37 22.24 Favored 'General case' 0 N--CA 1.454 -0.26 0 N-CA-C 105.58 -2.007 . . . . 0.0 105.58 143.774 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 2.2 m -160.35 144.18 13.96 Favored 'General case' 0 N--CA 1.45 -0.466 0 N-CA-C 107.73 -1.211 . . . . 0.0 107.73 -174.054 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 29.9 t80 55.76 36.87 28.08 Favored 'General case' 0 CA--C 1.539 0.557 0 CA-C-N 118.481 0.582 . . . . 0.0 110.854 -176.125 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 54.38 19.42 12.56 Favored Glycine 0 CA--C 1.535 1.298 0 C-N-CA 124.467 1.032 . . . . 0.0 113.759 -175.159 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 60.8 m -122.23 134.75 54.69 Favored 'General case' 0 N--CA 1.45 -0.472 0 C-N-CA 126.817 2.047 . . . . 0.0 106.709 -173.456 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 25' ' ' CYS . . . . . . . . . . . . 0.256 0.0 OUTLIER -92.78 91.78 7.64 Favored 'General case' 0 CA--C 1.535 0.392 0 N-CA-C 107.351 -1.351 . . . . 0.0 107.351 176.625 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 52.0 m-85 -78.47 140.54 38.61 Favored 'General case' 0 N--CA 1.454 -0.255 0 C-N-CA 126.003 1.721 . . . . 0.0 108.843 -177.289 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 27' ' ' CYS . . . . . 0.467 ' HA ' ' HA ' ' A' ' 17' ' ' PRO . 33.7 m . . . . . 0 C--N 1.346 0.415 0 N-CA-C 115.342 1.608 . . . . 0.0 115.342 -173.557 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 74.0 mt-30 . . . . . 0 N--CA 1.464 0.268 0 CA-C-O 121.379 0.609 . . . . 0.0 110.625 . . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 4' ' ' CYS . . . . . 0.43 ' HB2' ' HB2' ' A' ' 9' ' ' ASP . 25.2 p -149.94 158.5 44.23 Favored 'General case' 0 N--CA 1.444 -0.763 0 C-N-CA 125.639 1.576 . . . . 0.0 107.519 -176.676 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 77.0 mt-30 -121.83 -5.57 9.1 Favored 'General case' 0 C--N 1.325 -0.478 0 C-N-CA 124.732 1.213 . . . . 0.0 110.86 173.286 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 12.8 m -162.86 156.54 20.22 Favored 'General case' 0 C--O 1.224 -0.277 0 N-CA-C 107.819 -1.178 . . . . 0.0 107.819 176.818 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 10.9 p -52.22 -29.74 12.63 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.661 0 O-C-N 121.029 -1.044 . . . . 0.0 112.025 175.904 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 99.2 mtt180 -38.07 -53.5 1.39 Allowed 'General case' 0 CA--C 1.534 0.335 0 C-N-CA 125.873 1.669 . . . . 0.0 112.159 167.013 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 9' ' ' ASP . . . . . 0.43 ' HB2' ' HB2' ' A' ' 4' ' ' CYS . 48.3 m-20 -57.39 -57.15 13.91 Favored 'General case' 0 N--CA 1.448 -0.562 0 C-N-CA 124.983 1.313 . . . . 0.0 108.686 -177.712 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 10' ' ' CYS . . . . . 0.471 ' SG ' ' HB3' ' A' ' 17' ' ' PRO . 0.5 OUTLIER -59.63 -34.9 73.38 Favored 'General case' 0 C--O 1.219 -0.522 0 C-N-CA 118.66 -1.216 . . . . 0.0 111.337 -179.644 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 69.3 mt-30 -60.8 -22.64 64.35 Favored 'General case' 0 CA--C 1.535 0.402 0 CA-C-N 119.486 1.039 . . . . 0.0 111.392 -179.206 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 31.3 mt-30 -78.1 -44.72 25.36 Favored 'General case' 0 CA--C 1.532 0.267 0 CA-C-N 118.492 0.587 . . . . 0.0 110.158 169.196 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 53.4 m-85 -73.27 -20.76 60.76 Favored 'General case' 0 CA--C 1.542 0.639 0 N-CA-C 114.374 1.25 . . . . 0.0 114.374 -176.045 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 19.7 m -149.94 140.09 22.13 Favored 'General case' 0 C--O 1.226 -0.177 0 C-N-CA 125.732 1.613 . . . . 0.0 108.301 -168.792 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -64.09 -47.97 77.99 Favored 'General case' 0 CA--C 1.533 0.319 0 N-CA-C 109.662 -0.496 . . . . 0.0 109.662 177.591 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 20.4 m -126.61 79.93 70.75 Favored Pre-proline 0 CA--C 1.536 0.406 0 C-N-CA 123.363 0.665 . . . . 0.0 111.736 -178.653 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 17' ' ' PRO . . . . . 0.487 ' HA ' ' HA ' ' A' ' 27' ' ' CYS . 4.1 Cg_endo -62.35 150.78 85.94 Favored 'Trans proline' 0 N--CA 1.434 -2.025 0 C-N-CA 122.194 1.929 . . . . 0.0 112.639 174.495 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 18' ' ' ASP . . . . . 0.402 ' H ' ' HA ' ' A' ' 27' ' ' CYS . 24.2 t0 -79.34 -58.42 3.22 Favored 'General case' 0 N--CA 1.444 -0.737 0 N-CA-C 106.6 -1.629 . . . . 0.0 106.6 172.35 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -163.76 153.96 15.27 Favored 'General case' 0 N--CA 1.447 -0.622 0 N-CA-C 108.469 -0.937 . . . . 0.0 108.469 -178.237 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 52.9 t -84.64 112.33 20.36 Favored 'General case' 0 N--CA 1.452 -0.37 0 N-CA-C 105.449 -2.056 . . . . 0.0 105.449 146.363 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 2.9 m -160.28 147.76 16.26 Favored 'General case' 0 N--CA 1.452 -0.336 0 N-CA-C 108.65 -0.87 . . . . 0.0 108.65 -171.547 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 42.4 t80 52.68 39.96 29.39 Favored 'General case' 0 CA--C 1.538 0.51 0 CA-C-O 121.518 0.675 . . . . 0.0 110.915 -176.245 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 53.24 23.12 16.46 Favored Glycine 0 CA--C 1.535 1.315 0 C-N-CA 124.333 0.968 . . . . 0.0 114.016 -176.247 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 63.1 m -128.04 137.04 52.03 Favored 'General case' 0 N--CA 1.45 -0.446 0 C-N-CA 126.523 1.929 . . . . 0.0 107.199 -172.945 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -91.87 93.37 8.79 Favored 'General case' 0 CA--C 1.535 0.392 0 N-CA-C 107.404 -1.332 . . . . 0.0 107.404 173.23 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 56.4 m-85 -78.84 142.21 37.06 Favored 'General case' 0 C--O 1.233 0.198 0 C-N-CA 125.561 1.544 . . . . 0.0 108.642 -178.818 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 27' ' ' CYS . . . . . 0.487 ' HA ' ' HA ' ' A' ' 17' ' ' PRO . 23.3 m . . . . . 0 C--N 1.344 0.367 0 C-N-CA 123.934 0.894 . . . . 0.0 112.907 -177.873 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 83.8 mt-30 . . . . . 0 CA--C 1.531 0.232 0 CA-C-O 120.816 0.341 . . . . 0.0 110.606 . . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 4' ' ' CYS . . . . . 0.421 ' HB2' ' HB2' ' A' ' 9' ' ' ASP . 15.1 p -143.18 168.43 19.77 Favored 'General case' 0 N--CA 1.451 -0.393 0 C-N-CA 126.27 1.828 . . . . 0.0 109.243 -175.359 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 38.1 mt-30 -105.8 -36.66 6.96 Favored 'General case' 0 CA--C 1.534 0.35 0 C-N-CA 126.659 1.984 . . . . 0.0 109.828 166.271 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 1.2 p -152.72 172.59 16.44 Favored 'General case' 0 CA--C 1.514 -0.436 0 CA-C-O 122.019 0.914 . . . . 0.0 111.382 -177.306 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 6.2 p -54.86 -37.98 42.97 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.603 0 CA-C-N 115.641 -0.708 . . . . 0.0 111.295 -176.12 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 3.5 tmt_? -35.59 -44.76 0.33 Allowed 'General case' 0 N--CA 1.452 -0.374 0 C-N-CA 128.272 2.629 . . . . 0.0 113.525 167.168 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 9' ' ' ASP . . . . . 0.421 ' HB2' ' HB2' ' A' ' 4' ' ' CYS . 74.1 m-20 -70.28 -52.55 22.06 Favored 'General case' 0 N--CA 1.445 -0.71 0 N-CA-C 107.969 -1.123 . . . . 0.0 107.969 -178.21 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 10' ' ' CYS . . . . . 0.472 ' HB3' ' CB ' ' A' ' 17' ' ' PRO . 0.3 OUTLIER -57.08 -34.68 68.53 Favored 'General case' 0 C--O 1.219 -0.548 0 C-N-CA 118.794 -1.162 . . . . 0.0 111.815 176.933 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 84.6 mt-30 -58.56 -19.57 39.12 Favored 'General case' 0 CA--C 1.537 0.481 0 CA-C-N 119.195 0.907 . . . . 0.0 111.857 179.705 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 31.4 mt-30 -87.36 -43.84 11.82 Favored 'General case' 0 CA--C 1.535 0.367 0 C-N-CA 123.278 0.631 . . . . 0.0 110.071 171.236 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 89.2 m-85 -66.8 -28.22 68.2 Favored 'General case' 0 CA--C 1.543 0.705 0 N-CA-C 113.558 0.947 . . . . 0.0 113.558 179.994 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 19.1 m -146.42 140.86 26.61 Favored 'General case' 0 CA--C 1.52 -0.19 0 C-N-CA 126.245 1.818 . . . . 0.0 108.767 -165.647 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -63.49 -46.79 84.51 Favored 'General case' 0 CA--C 1.534 0.363 0 N-CA-C 109.395 -0.594 . . . . 0.0 109.395 175.355 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 6.9 m -127.4 74.64 77.61 Favored Pre-proline 0 CA--C 1.536 0.421 0 C-N-CA 123.143 0.577 . . . . 0.0 112.367 -173.295 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 17' ' ' PRO . . . . . 0.515 ' HA ' ' HA ' ' A' ' 27' ' ' CYS . 2.8 Cg_endo -64.39 153.57 76.16 Favored 'Trans proline' 0 N--CA 1.435 -1.959 0 C-N-CA 121.554 1.503 . . . . 0.0 113.491 179.706 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 18' ' ' ASP . . . . . 0.429 ' H ' ' HA ' ' A' ' 27' ' ' CYS . 38.2 t0 -80.61 -65.3 1.03 Allowed 'General case' 0 N--CA 1.445 -0.715 0 N-CA-C 106.06 -1.83 . . . . 0.0 106.06 171.156 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -161.01 153.06 19.93 Favored 'General case' 0 N--CA 1.449 -0.522 0 C-N-CA 124.401 1.08 . . . . 0.0 108.581 -176.502 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 52.7 t -83.49 111.01 18.68 Favored 'General case' 0 N--CA 1.453 -0.299 0 N-CA-C 105.662 -1.977 . . . . 0.0 105.662 147.805 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 3.1 m -159.65 153.02 22.3 Favored 'General case' 0 N--CA 1.45 -0.446 0 C-N-CA 123.915 0.886 . . . . 0.0 108.741 -171.595 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 27.6 t80 49.0 40.73 17.7 Favored 'General case' 0 CA--C 1.539 0.552 0 C-N-CA 123.712 0.805 . . . . 0.0 111.964 179.949 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 52.41 42.33 56.78 Favored Glycine 0 CA--C 1.532 1.11 0 C-N-CA 123.232 0.444 . . . . 0.0 112.103 -175.992 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 7.2 m -153.24 138.4 17.39 Favored 'General case' 0 N--CA 1.453 -0.308 0 N-CA-C 107.996 -1.113 . . . . 0.0 107.996 -176.789 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 25' ' ' CYS . . . . . . . . . . . . 0.264 0.0 OUTLIER -90.68 88.14 6.98 Favored 'General case' 0 CA--C 1.533 0.315 0 CA-C-O 123.24 1.495 . . . . 0.0 107.093 172.566 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 61.7 m-85 -69.65 139.99 53.6 Favored 'General case' 0 N--CA 1.451 -0.387 0 C-N-CA 125.287 1.435 . . . . 0.0 108.332 178.998 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 27' ' ' CYS . . . . . 0.515 ' HA ' ' HA ' ' A' ' 17' ' ' PRO . 21.9 m . . . . . 0 C--N 1.342 0.269 0 C-N-CA 123.657 0.783 . . . . 0.0 112.421 -179.523 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 75.0 mt-30 . . . . . 0 CA--C 1.531 0.24 0 N-CA-C 109.031 -0.729 . . . . 0.0 109.031 . . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 13.7 p -143.23 166.35 24.94 Favored 'General case' 0 N--CA 1.45 -0.462 0 C-N-CA 126.367 1.867 . . . . 0.0 108.326 179.796 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 4.3 tt0 -100.99 -41.68 6.7 Favored 'General case' 0 N--CA 1.45 -0.464 0 C-N-CA 125.815 1.646 . . . . 0.0 109.319 165.983 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -148.86 161.28 42.15 Favored 'General case' 0 C--O 1.223 -0.335 0 C-N-CA 123.602 0.761 . . . . 0.0 109.04 -165.931 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 10.0 p -52.89 -34.12 19.99 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.566 0 O-C-N 121.087 -1.008 . . . . 0.0 112.164 -178.514 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 72.0 mtt85 -49.5 -39.08 32.68 Favored 'General case' 0 CA--C 1.532 0.282 0 C-N-CA 124.444 1.097 . . . . 0.0 113.139 174.105 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 45.4 m-20 -57.21 -51.47 69.21 Favored 'General case' 0 N--CA 1.449 -0.495 0 N-CA-C 108.097 -1.075 . . . . 0.0 108.097 174.229 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 10' ' ' CYS . . . . . 0.439 ' HB3' ' CB ' ' A' ' 17' ' ' PRO . 0.1 OUTLIER -60.71 -34.8 74.93 Favored 'General case' 0 C--O 1.217 -0.644 0 C-N-CA 119.294 -0.962 . . . . 0.0 112.209 175.66 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 38.4 mt-30 -58.64 -24.33 60.92 Favored 'General case' 0 CA--C 1.537 0.448 0 CA-C-N 120.283 1.402 . . . . 0.0 111.551 179.678 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 32.2 mt-30 -77.31 -46.66 22.25 Favored 'General case' 0 CA--C 1.534 0.33 0 CA-C-N 118.281 0.492 . . . . 0.0 109.765 170.144 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 27.8 t80 -64.53 -39.07 93.09 Favored 'General case' 0 CA--C 1.536 0.405 0 N-CA-C 113.776 1.028 . . . . 0.0 113.776 -173.868 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 15.6 m -135.44 142.1 45.52 Favored 'General case' 0 CA--C 1.521 -0.17 0 C-N-CA 127.231 2.212 . . . . 0.0 108.542 -166.369 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 3.8 mm? -77.09 -15.72 59.47 Favored 'General case' 0 CA--C 1.532 0.275 0 C-N-CA 123.205 0.602 . . . . 0.0 110.648 175.468 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 6.3 m -148.29 72.16 10.98 Favored Pre-proline 0 CA--C 1.537 0.464 0 O-C-N 121.157 -0.964 . . . . 0.0 112.384 178.626 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 17' ' ' PRO . . . . . 0.523 ' HA ' ' HA ' ' A' ' 27' ' ' CYS . 5.9 Cg_endo -67.65 172.99 9.63 Favored 'Trans proline' 0 N--CA 1.436 -1.88 0 C-N-CA 121.258 1.305 . . . . 0.0 114.488 -178.772 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 7.5 t70 -111.74 -67.38 1.0 Allowed 'General case' 0 N--CA 1.445 -0.724 0 CA-C-N 113.947 -1.479 . . . . 0.0 109.66 173.2 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 5.2 ptt180 -155.36 144.18 20.63 Favored 'General case' 0 N--CA 1.436 -1.138 0 N-CA-C 109.555 -0.535 . . . . 0.0 109.555 -177.051 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 54.1 t -80.26 108.22 13.69 Favored 'General case' 0 N--CA 1.45 -0.457 0 N-CA-C 105.686 -1.968 . . . . 0.0 105.686 152.019 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 3.1 m -157.92 142.48 16.28 Favored 'General case' 0 N--CA 1.451 -0.393 0 N-CA-C 108.963 -0.755 . . . . 0.0 108.963 -170.528 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 98.1 m-85 50.32 33.53 7.62 Favored 'General case' 0 CA--C 1.537 0.475 0 C-N-CA 123.792 0.837 . . . . 0.0 111.355 -168.465 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 66.63 11.78 57.81 Favored Glycine 0 CA--C 1.536 1.372 0 CA-C-O 119.447 -0.64 . . . . 0.0 113.992 -179.712 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 53.0 m -116.22 135.9 53.49 Favored 'General case' 0 N--CA 1.453 -0.302 0 C-N-CA 126.315 1.846 . . . . 0.0 108.056 179.33 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 25' ' ' CYS . . . . . . . . . . . . 0.283 0.1 OUTLIER -88.6 86.61 7.04 Favored 'General case' 0 CA--C 1.534 0.355 0 CA-C-O 123.399 1.571 . . . . 0.0 108.344 174.114 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 63.4 m-85 -61.33 138.04 58.24 Favored 'General case' 0 N--CA 1.453 -0.292 0 C-N-CA 125.373 1.469 . . . . 0.0 109.135 174.421 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 27' ' ' CYS . . . . . 0.523 ' HA ' ' HA ' ' A' ' 17' ' ' PRO . 14.3 m . . . . . 0 CA--C 1.518 -0.269 0 C-N-CA 123.703 0.801 . . . . 0.0 111.691 174.997 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 81.6 mt-30 . . . . . 0 N--CA 1.463 0.201 0 N-CA-C 109.75 -0.463 . . . . 0.0 109.75 . . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 12.1 p -150.9 168.29 24.95 Favored 'General case' 0 N--CA 1.449 -0.494 0 C-N-CA 125.1 1.36 . . . . 0.0 108.852 -174.958 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 7.5 tt0 -104.34 -39.51 6.44 Favored 'General case' 0 N--CA 1.45 -0.462 0 C-N-CA 127.062 2.145 . . . . 0.0 109.223 166.402 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 1.5 p -153.08 175.14 13.33 Favored 'General case' 0 CA--C 1.514 -0.433 0 CA-C-O 121.852 0.834 . . . . 0.0 110.506 179.113 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 9.8 p -51.84 -36.41 19.28 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.568 0 CA-C-N 115.633 -0.712 . . . . 0.0 111.892 -177.324 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 99.9 mtt180 -45.26 -44.46 11.3 Favored 'General case' 0 CA--C 1.531 0.228 0 C-N-CA 125.497 1.519 . . . . 0.0 112.471 174.312 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 28.3 m-20 -57.68 -53.74 54.78 Favored 'General case' 0 C--O 1.241 0.627 0 CA-C-O 122.109 0.957 . . . . 0.0 108.805 178.145 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 10' ' ' CYS . . . . . 0.476 ' HB3' ' CB ' ' A' ' 17' ' ' PRO . 0.3 OUTLIER -63.02 -31.24 72.34 Favored 'General case' 0 N--CA 1.446 -0.63 0 CA-C-N 114.958 -1.019 . . . . 0.0 111.042 179.724 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 40.7 mt-30 -59.55 -26.61 65.51 Favored 'General case' 0 CA--C 1.536 0.425 0 CA-C-N 120.182 1.356 . . . . 0.0 111.004 179.529 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 15.2 mt-30 -71.62 -48.53 47.34 Favored 'General case' 0 CA--C 1.531 0.218 0 N-CA-C 108.776 -0.824 . . . . 0.0 108.776 168.763 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 5.6 t80 -63.62 -32.16 73.55 Favored 'General case' 0 CA--C 1.538 0.516 0 N-CA-C 113.903 1.075 . . . . 0.0 113.903 -172.951 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 21.7 m -150.1 142.05 23.87 Favored 'General case' 0 C--N 1.331 -0.219 0 C-N-CA 126.527 1.931 . . . . 0.0 109.307 -161.819 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -62.73 -49.17 76.09 Favored 'General case' 0 CA--C 1.535 0.376 0 N-CA-C 109.56 -0.533 . . . . 0.0 109.56 176.479 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 8.7 m -127.09 77.26 75.54 Favored Pre-proline 0 CA--C 1.534 0.361 0 C-N-CA 123.414 0.686 . . . . 0.0 111.791 -175.637 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 17' ' ' PRO . . . . . 0.494 ' HA ' ' HA ' ' A' ' 27' ' ' CYS . 3.3 Cg_endo -63.7 147.28 92.7 Favored 'Trans proline' 0 N--CA 1.433 -2.072 0 C-N-CA 121.653 1.569 . . . . 0.0 112.293 176.161 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 10.8 t0 -83.73 -56.88 3.47 Favored 'General case' 0 N--CA 1.451 -0.376 0 N-CA-C 106.995 -1.483 . . . . 0.0 106.995 178.218 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 6.3 ptt-85 -160.94 151.28 17.87 Favored 'General case' 0 N--CA 1.45 -0.456 0 O-C-N 121.869 -0.519 . . . . 0.0 109.716 175.397 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 40.8 t -85.0 112.94 21.05 Favored 'General case' 0 C--N 1.333 -0.136 0 N-CA-C 105.634 -1.988 . . . . 0.0 105.634 150.316 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 2.6 m -161.8 142.09 10.45 Favored 'General case' 0 N--CA 1.452 -0.357 0 N-CA-C 108.716 -0.846 . . . . 0.0 108.716 -168.873 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 79.0 m-85 49.76 45.0 25.0 Favored 'General case' 0 CA--C 1.535 0.385 0 C-N-CA 123.619 0.768 . . . . 0.0 110.99 -175.273 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 57.77 14.7 16.49 Favored Glycine 0 CA--C 1.536 1.351 0 C-N-CA 124.304 0.954 . . . . 0.0 114.223 -179.213 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 39.8 m -121.61 133.47 54.99 Favored 'General case' 0 N--CA 1.449 -0.478 0 C-N-CA 125.811 1.645 . . . . 0.0 107.279 -172.931 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 25' ' ' CYS . . . . . . . . . . . . 0.282 0.1 OUTLIER -91.3 85.18 5.75 Favored 'General case' 0 CA--C 1.535 0.402 0 CA-C-O 123.142 1.448 . . . . 0.0 107.316 174.074 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 51.4 m-85 -63.23 133.42 54.23 Favored 'General case' 0 N--CA 1.453 -0.29 0 C-N-CA 124.818 1.247 . . . . 0.0 108.069 177.472 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 27' ' ' CYS . . . . . 0.494 ' HA ' ' HA ' ' A' ' 17' ' ' PRO . 35.5 m . . . . . 0 CA--C 1.513 -0.463 0 C-N-CA 123.209 0.604 . . . . 0.0 111.254 175.597 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 79.7 mt-30 . . . . . 0 CA--C 1.531 0.242 0 N-CA-C 109.647 -0.501 . . . . 0.0 109.647 . . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 20.9 p -140.19 160.35 40.15 Favored 'General case' 0 N--CA 1.454 -0.249 0 C-N-CA 126.12 1.768 . . . . 0.0 109.294 172.875 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 7.4 tt0 -100.49 -35.65 9.47 Favored 'General case' 0 N--CA 1.45 -0.457 0 C-N-CA 126.095 1.758 . . . . 0.0 109.62 171.332 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 15.2 m -161.23 161.81 30.93 Favored 'General case' 0 C--O 1.222 -0.392 0 C-N-CA 123.433 0.693 . . . . 0.0 109.33 -172.634 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 8.5 p -47.95 -36.42 5.7 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.427 0 N-CA-C 113.517 0.932 . . . . 0.0 113.517 -172.422 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 46.4 mtp85 -49.69 -39.52 36.98 Favored 'General case' 0 CA--C 1.531 0.223 0 C-N-CA 124.109 0.963 . . . . 0.0 112.963 175.74 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 45.5 m-20 -55.64 -53.94 50.32 Favored 'General case' 0 N--CA 1.448 -0.572 0 N-CA-C 108.538 -0.912 . . . . 0.0 108.538 173.837 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 10' ' ' CYS . . . . . 0.508 ' SG ' ' HB3' ' A' ' 17' ' ' PRO . 0.1 OUTLIER -58.28 -36.58 73.51 Favored 'General case' 0 N--CA 1.45 -0.439 0 CA-C-O 118.282 -0.866 . . . . 0.0 111.987 175.997 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 45.8 mt-30 -57.18 -25.49 59.06 Favored 'General case' 0 CA--C 1.537 0.468 0 CA-C-N 119.965 1.257 . . . . 0.0 111.393 178.617 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 27.1 mt-30 -76.96 -48.81 17.02 Favored 'General case' 0 CA--C 1.533 0.31 0 CA-C-N 118.415 0.552 . . . . 0.0 109.864 171.789 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 76.0 m-85 -70.52 -23.01 62.57 Favored 'General case' 0 CA--C 1.544 0.713 0 N-CA-C 113.283 0.845 . . . . 0.0 113.283 -174.292 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 20.8 m -149.35 141.99 24.48 Favored 'General case' 0 N--CA 1.463 0.197 0 C-N-CA 125.731 1.612 . . . . 0.0 109.682 -166.575 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -64.89 -50.35 66.89 Favored 'General case' 0 CA--C 1.534 0.363 0 C-N-CA 122.882 0.473 . . . . 0.0 109.795 177.425 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 20.7 m -125.33 81.38 63.95 Favored Pre-proline 0 CA--C 1.534 0.362 0 C-N-CA 123.409 0.684 . . . . 0.0 111.445 -178.1 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 17' ' ' PRO . . . . . 0.508 ' HB3' ' SG ' ' A' ' 10' ' ' CYS . 1.1 Cg_endo -63.88 162.01 30.55 Favored 'Trans proline' 0 N--CA 1.435 -1.953 0 C-N-CA 121.545 1.497 . . . . 0.0 114.164 176.357 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 28.4 t70 -96.67 -62.9 1.19 Allowed 'General case' 0 N--CA 1.453 -0.293 0 C-N-CA 127.014 2.126 . . . . 0.0 106.978 175.65 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -155.32 159.41 39.95 Favored 'General case' 0 N--CA 1.447 -0.612 0 N-CA-C 108.906 -0.776 . . . . 0.0 108.906 176.728 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 44.1 t -90.65 116.54 28.61 Favored 'General case' 0 N--CA 1.455 -0.196 0 N-CA-C 105.39 -2.078 . . . . 0.0 105.39 145.308 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 2.1 m -159.32 143.72 15.28 Favored 'General case' 0 N--CA 1.448 -0.563 0 N-CA-C 108.887 -0.782 . . . . 0.0 108.887 -172.019 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 91.1 m-85 51.34 35.25 13.41 Favored 'General case' 0 CA--C 1.538 0.505 0 C-N-CA 123.782 0.833 . . . . 0.0 111.485 -172.144 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 68.05 8.48 54.13 Favored Glycine 0 CA--C 1.535 1.333 0 CA-C-O 119.157 -0.802 . . . . 0.0 114.188 179.953 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 4.8 m -117.4 138.14 52.01 Favored 'General case' 0 N--CA 1.453 -0.286 0 C-N-CA 126.363 1.865 . . . . 0.0 109.014 -178.899 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -89.3 102.13 14.8 Favored 'General case' 0 CA--C 1.536 0.413 0 N-CA-C 107.361 -1.348 . . . . 0.0 107.361 173.091 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 71.5 m-85 -83.5 141.98 31.25 Favored 'General case' 0 N--CA 1.453 -0.291 0 C-N-CA 126.847 2.059 . . . . 0.0 108.162 178.022 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 27' ' ' CYS . . . . . 0.468 ' HA ' ' HA ' ' A' ' 17' ' ' PRO . 21.7 m . . . . . 0 C--N 1.345 0.404 0 N-CA-C 113.005 0.743 . . . . 0.0 113.005 -177.956 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 82.5 mt-30 . . . . . 0 N--CA 1.465 0.311 0 CA-C-O 121.36 0.6 . . . . 0.0 109.769 . . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 8.5 p -142.96 167.84 21.11 Favored 'General case' 0 N--CA 1.443 -0.784 0 C-N-CA 126.474 1.91 . . . . 0.0 107.948 -174.711 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 30.1 mt-30 -107.08 -34.35 7.18 Favored 'General case' 0 N--CA 1.451 -0.412 0 C-N-CA 126.315 1.846 . . . . 0.0 109.782 168.856 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 1.4 p -156.08 172.54 18.25 Favored 'General case' 0 CA--C 1.513 -0.455 0 CA-C-O 121.992 0.901 . . . . 0.0 110.5 178.131 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 8.4 p -51.64 -34.57 16.24 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.646 0 CA-C-N 115.284 -0.871 . . . . 0.0 111.866 -176.398 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 99.5 mtt180 -46.26 -45.96 17.53 Favored 'General case' 0 CA--C 1.532 0.28 0 C-N-CA 124.993 1.317 . . . . 0.0 112.419 173.561 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 46.0 m-20 -56.46 -51.85 66.91 Favored 'General case' 0 N--CA 1.449 -0.52 0 N-CA-C 108.617 -0.883 . . . . 0.0 108.617 178.356 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 10' ' ' CYS . . . . . 0.461 ' SG ' ' HB3' ' A' ' 17' ' ' PRO . 0.1 OUTLIER -58.64 -41.04 85.11 Favored 'General case' 0 C--O 1.215 -0.73 0 C-N-CA 117.968 -1.493 . . . . 0.0 110.976 174.633 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 41.6 mt-30 -58.99 -26.91 64.9 Favored 'General case' 0 CA--C 1.534 0.358 0 CA-C-N 120.784 1.629 . . . . 0.0 112.13 179.635 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 32.0 mt-30 -66.31 -43.17 87.01 Favored 'General case' 0 CA--C 1.534 0.346 0 CA-C-N 118.734 0.697 . . . . 0.0 110.489 169.575 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 65.2 m-85 -77.21 -60.18 2.47 Favored 'General case' 0 CA--C 1.543 0.679 0 N-CA-C 114.084 1.142 . . . . 0.0 114.084 -176.663 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 31.0 m -101.93 152.06 21.38 Favored 'General case' 0 C--N 1.333 -0.148 0 C-N-CA 128.151 2.58 . . . . 0.0 109.689 -171.129 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -74.72 -45.35 44.74 Favored 'General case' 0 N--CA 1.455 -0.199 0 N-CA-C 107.76 -1.2 . . . . 0.0 107.76 178.397 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 4.6 m -126.19 76.96 72.23 Favored Pre-proline 0 C--O 1.239 0.526 0 C-N-CA 123.533 0.733 . . . . 0.0 111.123 -176.685 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 17' ' ' PRO . . . . . 0.529 ' HA ' ' HA ' ' A' ' 27' ' ' CYS . 1.0 OUTLIER -66.21 158.66 53.65 Favored 'Trans proline' 0 N--CA 1.436 -1.888 0 C-N-CA 121.085 1.19 . . . . 0.0 113.219 177.421 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 29.4 t0 -88.91 -64.38 1.15 Allowed 'General case' 0 N--CA 1.452 -0.34 0 N-CA-C 106.007 -1.849 . . . . 0.0 106.007 173.215 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 1.6 ptt85 -162.55 153.02 16.82 Favored 'General case' 0 N--CA 1.448 -0.534 0 N-CA-C 109.073 -0.714 . . . . 0.0 109.073 -177.503 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 54.1 t -80.85 108.6 14.65 Favored 'General case' 0 N--CA 1.452 -0.368 0 N-CA-C 105.885 -1.895 . . . . 0.0 105.885 147.448 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 3.1 m -157.09 147.37 21.08 Favored 'General case' 0 N--CA 1.451 -0.384 0 N-CA-C 108.741 -0.836 . . . . 0.0 108.741 -173.165 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 73.1 m-85 49.26 41.66 20.5 Favored 'General case' 0 CA--C 1.538 0.494 0 C-N-CA 123.18 0.592 . . . . 0.0 110.461 -170.466 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 54.72 20.91 20.29 Favored Glycine 0 CA--C 1.535 1.32 0 C-N-CA 124.063 0.839 . . . . 0.0 113.996 -177.91 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 62.3 m -125.72 132.95 52.27 Favored 'General case' 0 N--CA 1.449 -0.493 0 C-N-CA 126.062 1.745 . . . . 0.0 107.324 -172.847 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 25' ' ' CYS . . . . . . . . . . . . 0.284 0.0 OUTLIER -84.92 86.42 7.37 Favored 'General case' 0 CA--C 1.535 0.366 0 CA-C-O 123.153 1.454 . . . . 0.0 107.574 172.932 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 68.5 m-85 -65.64 136.93 56.96 Favored 'General case' 0 N--CA 1.451 -0.378 0 C-N-CA 124.736 1.214 . . . . 0.0 108.371 176.073 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 27' ' ' CYS . . . . . 0.529 ' HA ' ' HA ' ' A' ' 17' ' ' PRO . 37.7 m . . . . . 0 C--N 1.343 0.308 0 O-C-N 123.527 0.517 . . . . 0.0 112.224 177.46 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 80.6 mt-30 . . . . . 0 CA--C 1.53 0.2 0 N-CA-C 108.826 -0.805 . . . . 0.0 108.826 . . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 12.0 p -145.13 157.41 44.1 Favored 'General case' 0 N--CA 1.447 -0.577 0 C-N-CA 125.83 1.652 . . . . 0.0 108.469 -174.128 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 32.2 tt0 -94.72 -34.18 12.64 Favored 'General case' 0 N--CA 1.455 -0.224 0 C-N-CA 125.095 1.358 . . . . 0.0 109.644 168.251 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 13.9 m -162.69 167.46 23.05 Favored 'General case' 0 C--O 1.225 -0.213 0 C-N-CA 124.01 0.924 . . . . 0.0 108.633 -173.399 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 9.8 p -47.23 -38.26 4.85 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.392 0 C-N-CA 124.024 0.93 . . . . 0.0 112.842 -175.357 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 81.3 mtt85 -49.18 -40.65 34.0 Favored 'General case' 0 CA--C 1.534 0.338 0 C-N-CA 124.219 1.007 . . . . 0.0 112.406 176.449 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 6.9 m-20 -62.87 -43.39 98.92 Favored 'General case' 0 N--CA 1.447 -0.58 0 N-CA-C 109.911 -0.403 . . . . 0.0 109.911 177.231 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 10' ' ' CYS . . . . . 0.471 ' HB3' ' CB ' ' A' ' 17' ' ' PRO . 0.5 OUTLIER -63.69 -35.71 81.44 Favored 'General case' 0 C--O 1.217 -0.619 0 C-N-CA 117.015 -1.874 . . . . 0.0 111.04 170.769 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 40.4 mt-30 -60.47 -38.84 85.5 Favored 'General case' 0 CA--C 1.534 0.347 0 CA-C-N 120.447 1.476 . . . . 0.0 110.158 -179.564 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 4.1 mt-30 -56.4 -40.05 74.03 Favored 'General case' 0 CA--C 1.54 0.581 0 O-C-N 122.126 -0.359 . . . . 0.0 110.257 170.221 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 4.1 t80 -77.15 -37.4 54.01 Favored 'General case' 0 CA--C 1.543 0.683 0 N-CA-C 114.792 1.404 . . . . 0.0 114.792 -176.789 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 7.5 m -142.9 139.3 30.73 Favored 'General case' 0 N--CA 1.463 0.222 0 C-N-CA 127.113 2.165 . . . . 0.0 108.491 -160.053 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -60.15 -48.99 79.39 Favored 'General case' 0 CA--C 1.534 0.362 0 N-CA-C 109.86 -0.422 . . . . 0.0 109.86 177.471 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 12.9 m -127.36 82.15 68.74 Favored Pre-proline 0 CA--C 1.535 0.379 0 C-N-CA 123.336 0.654 . . . . 0.0 111.803 -177.837 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 17' ' ' PRO . . . . . 0.527 ' HA ' ' HA ' ' A' ' 27' ' ' CYS . 2.4 Cg_endo -65.87 162.49 34.74 Favored 'Trans proline' 0 N--CA 1.436 -1.905 0 C-N-CA 121.533 1.489 . . . . 0.0 113.107 174.637 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 9.1 t0 -97.11 -57.23 2.32 Favored 'General case' 0 N--CA 1.452 -0.329 0 C-N-CA 125.877 1.671 . . . . 0.0 107.37 176.222 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 5.8 ptt-85 -158.13 155.25 28.81 Favored 'General case' 0 N--CA 1.452 -0.331 0 N-CA-C 109.695 -0.483 . . . . 0.0 109.695 175.586 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 41.6 t -87.93 117.89 27.09 Favored 'General case' 0 C--O 1.232 0.168 0 N-CA-C 105.217 -2.142 . . . . 0.0 105.217 147.524 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 2.0 m -162.03 141.33 9.67 Favored 'General case' 0 N--CA 1.451 -0.414 0 N-CA-C 108.483 -0.932 . . . . 0.0 108.483 -169.639 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 70.8 m-85 51.54 40.25 26.56 Favored 'General case' 0 CA--C 1.536 0.412 0 C-N-CA 123.384 0.674 . . . . 0.0 110.764 -171.484 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 54.75 18.73 11.7 Favored Glycine 0 CA--C 1.535 1.288 0 C-N-CA 124.28 0.943 . . . . 0.0 113.905 -176.889 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 55.1 m -120.9 137.05 54.78 Favored 'General case' 0 N--CA 1.45 -0.458 0 C-N-CA 126.538 1.935 . . . . 0.0 106.747 -174.421 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -93.99 98.84 11.29 Favored 'General case' 0 CA--C 1.537 0.443 0 CA-C-O 122.593 1.187 . . . . 0.0 108.018 177.238 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 50.2 m-85 -78.23 134.17 37.62 Favored 'General case' 0 N--CA 1.455 -0.207 0 C-N-CA 125.752 1.621 . . . . 0.0 108.065 177.308 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 27' ' ' CYS . . . . . 0.527 ' HA ' ' HA ' ' A' ' 17' ' ' PRO . 11.4 m . . . . . 0 C--N 1.343 0.305 0 C-N-CA 123.736 0.814 . . . . 0.0 111.348 173.458 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 81.3 mt-30 . . . . . 0 N--CA 1.463 0.196 0 N-CA-C 109.032 -0.729 . . . . 0.0 109.032 . . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 17.9 p -143.43 168.59 19.46 Favored 'General case' 0 N--CA 1.446 -0.657 0 C-N-CA 127.246 2.218 . . . . 0.0 108.764 -174.641 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 3.2 tt0 -112.27 -30.54 7.15 Favored 'General case' 0 N--CA 1.448 -0.542 0 C-N-CA 127.24 2.216 . . . . 0.0 110.476 171.455 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 33.4 m -160.92 160.58 31.05 Favored 'General case' 0 C--O 1.222 -0.37 0 C-N-CA 124.343 1.057 . . . . 0.0 108.359 -175.29 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 10.0 p -48.62 -34.8 5.88 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.54 0 O-C-N 121.349 -0.845 . . . . 0.0 113.024 -175.344 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 99.8 mtt180 -42.5 -46.41 4.81 Favored 'General case' 0 CA--C 1.533 0.291 0 C-N-CA 125.714 1.605 . . . . 0.0 112.543 172.301 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 29.9 m-20 -55.02 -55.52 30.07 Favored 'General case' 0 N--CA 1.449 -0.523 0 C-N-CA 124.059 0.944 . . . . 0.0 108.834 175.988 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 10' ' ' CYS . . . . . 0.49 ' HB3' ' CB ' ' A' ' 17' ' ' PRO . 0.1 OUTLIER -58.03 -35.63 71.57 Favored 'General case' 0 C--O 1.219 -0.537 0 CA-C-O 118.412 -0.804 . . . . 0.0 111.852 177.38 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 40.7 mt-30 -58.91 -22.78 60.32 Favored 'General case' 0 CA--C 1.539 0.533 0 CA-C-N 119.748 1.158 . . . . 0.0 111.283 179.407 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 33.2 mt-30 -80.55 -47.03 14.8 Favored 'General case' 0 CA--C 1.533 0.296 0 CA-C-N 118.353 0.524 . . . . 0.0 110.346 170.6 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 85.0 m-85 -69.57 -24.94 63.77 Favored 'General case' 0 CA--C 1.546 0.789 0 N-CA-C 113.349 0.87 . . . . 0.0 113.349 -175.957 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 19.5 m -148.87 139.45 22.63 Favored 'General case' 0 N--CA 1.463 0.213 0 C-N-CA 126.358 1.863 . . . . 0.0 108.449 -167.124 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 3.9 mm? -67.26 -41.51 85.43 Favored 'General case' 0 CA--C 1.53 0.207 0 N-CA-C 110.428 -0.212 . . . . 0.0 110.428 178.345 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 17.8 m -127.68 80.78 71.4 Favored Pre-proline 0 C--O 1.234 0.269 0 C-N-CA 122.982 0.513 . . . . 0.0 111.469 -179.221 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 17' ' ' PRO . . . . . 0.507 ' HA ' ' HA ' ' A' ' 27' ' ' CYS . 2.4 Cg_endo -68.19 157.95 59.59 Favored 'Trans proline' 0 N--CA 1.439 -1.719 0 C-N-CA 121.333 1.355 . . . . 0.0 114.607 176.662 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 17.8 t70 -86.17 -62.76 1.44 Allowed 'General case' 0 N--CA 1.453 -0.302 0 N-CA-C 106.28 -1.748 . . . . 0.0 106.28 171.33 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -162.47 154.49 18.71 Favored 'General case' 0 N--CA 1.451 -0.378 0 C-N-CA 123.858 0.863 . . . . 0.0 109.148 -177.757 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 53.9 t -82.34 113.84 20.4 Favored 'General case' 0 N--CA 1.455 -0.188 0 N-CA-C 105.735 -1.95 . . . . 0.0 105.735 146.588 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 2.4 m -159.77 144.6 15.14 Favored 'General case' 0 N--CA 1.45 -0.427 0 N-CA-C 108.075 -1.084 . . . . 0.0 108.075 -172.819 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER 55.83 38.48 30.1 Favored 'General case' 0 CA--C 1.543 0.679 0 CA-C-O 121.402 0.62 . . . . 0.0 110.399 -177.404 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 56.67 15.92 14.44 Favored Glycine 0 CA--C 1.536 1.386 0 C-N-CA 124.28 0.943 . . . . 0.0 114.064 -176.506 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 59.0 m -122.31 134.0 54.66 Favored 'General case' 0 N--CA 1.449 -0.481 0 C-N-CA 126.224 1.81 . . . . 0.0 107.122 -172.259 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 25' ' ' CYS . . . . . . . . . . . . 0.257 0.0 OUTLIER -86.22 89.51 7.87 Favored 'General case' 0 CA--C 1.534 0.365 0 N-CA-C 106.766 -1.568 . . . . 0.0 106.766 171.412 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 44.7 m-85 -68.79 131.75 45.67 Favored 'General case' 0 N--CA 1.451 -0.405 0 N-CA-C 107.733 -1.21 . . . . 0.0 107.733 177.114 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 27' ' ' CYS . . . . . 0.507 ' HA ' ' HA ' ' A' ' 17' ' ' PRO . 44.7 m . . . . . 0 C--N 1.341 0.201 0 CA-C-N 118.28 0.491 . . . . 0.0 111.251 178.804 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 82.8 mt-30 . . . . . 0 CA--C 1.531 0.245 0 N-CA-C 109.703 -0.48 . . . . 0.0 109.703 . . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 13.5 p -145.16 175.15 10.47 Favored 'General case' 0 N--CA 1.449 -0.489 0 C-N-CA 126.504 1.921 . . . . 0.0 108.844 -174.007 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 35.4 mt-30 -113.55 -33.46 5.87 Favored 'General case' 0 CA--C 1.535 0.372 0 C-N-CA 127.624 2.37 . . . . 0.0 110.507 166.19 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 26.3 m -159.74 164.1 34.13 Favored 'General case' 0 C--O 1.222 -0.353 0 CA-C-N 119.426 1.012 . . . . 0.0 108.815 -175.507 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 10.0 p -49.81 -35.23 10.1 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.568 0 O-C-N 121.237 -0.915 . . . . 0.0 113.054 -174.097 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 62.6 ttt180 -46.92 -37.61 9.24 Favored 'General case' 0 CA--C 1.536 0.435 0 C-N-CA 125.811 1.644 . . . . 0.0 113.018 174.548 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 56.6 m-20 -61.43 -57.65 11.34 Favored 'General case' 0 N--CA 1.448 -0.568 0 C-N-CA 124.147 0.979 . . . . 0.0 108.398 173.991 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 10' ' ' CYS . . . . . 0.476 ' HB3' ' CB ' ' A' ' 17' ' ' PRO . 0.1 OUTLIER -57.15 -34.37 68.35 Favored 'General case' 0 N--CA 1.449 -0.485 0 C-N-CA 119.578 -0.849 . . . . 0.0 112.007 179.449 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 39.7 mt-30 -58.13 -22.49 51.27 Favored 'General case' 0 CA--C 1.539 0.534 0 CA-C-N 119.258 0.935 . . . . 0.0 111.329 180.0 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 36.1 mt-30 -84.9 -44.78 12.87 Favored 'General case' 0 CA--C 1.534 0.364 0 C-N-CA 123.269 0.628 . . . . 0.0 109.805 173.206 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 90.2 m-85 -66.21 -28.03 68.43 Favored 'General case' 0 CA--C 1.542 0.667 0 N-CA-C 113.412 0.893 . . . . 0.0 113.412 179.984 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 15.5 m -145.22 136.49 25.01 Favored 'General case' 0 CA--C 1.522 -0.13 0 C-N-CA 125.916 1.686 . . . . 0.0 108.702 -165.164 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -68.16 -24.25 64.96 Favored 'General case' 0 CA--C 1.536 0.422 0 C-N-CA 122.53 0.332 . . . . 0.0 111.024 177.228 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 6.7 m -147.83 80.4 8.88 Favored Pre-proline 0 C--O 1.235 0.319 0 O-C-N 120.935 -1.103 . . . . 0.0 111.463 177.936 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 17' ' ' PRO . . . . . 0.537 ' HA ' ' HA ' ' A' ' 27' ' ' CYS . 8.9 Cg_endo -64.62 162.8 29.79 Favored 'Trans proline' 0 N--CA 1.435 -1.919 0 C-N-CA 122.529 2.152 . . . . 0.0 113.088 174.831 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 24.8 t70 -96.12 -60.85 1.54 Allowed 'General case' 0 N--CA 1.449 -0.497 0 C-N-CA 125.932 1.693 . . . . 0.0 107.249 169.804 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 7.7 ptt-85 -159.15 149.72 19.59 Favored 'General case' 0 N--CA 1.443 -0.823 0 N-CA-C 110.163 -0.31 . . . . 0.0 110.163 -176.104 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 41.6 t -86.7 111.95 21.18 Favored 'General case' 0 C--N 1.333 -0.152 0 N-CA-C 105.543 -2.021 . . . . 0.0 105.543 151.989 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 3.2 m -162.11 143.29 10.66 Favored 'General case' 0 N--CA 1.45 -0.427 0 N-CA-C 108.257 -1.016 . . . . 0.0 108.257 -169.355 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 45.4 t80 52.96 41.96 32.12 Favored 'General case' 0 CA--C 1.539 0.542 0 CA-C-O 121.525 0.679 . . . . 0.0 110.78 -176.828 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 57.6 12.88 10.45 Favored Glycine 0 CA--C 1.536 1.386 0 C-N-CA 124.379 0.99 . . . . 0.0 114.317 -177.548 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 41.2 m -119.36 134.66 55.1 Favored 'General case' 0 N--CA 1.45 -0.455 0 C-N-CA 126.051 1.74 . . . . 0.0 107.275 -172.524 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 25' ' ' CYS . . . . . . . . . . . . 0.28 0.1 OUTLIER -91.91 87.6 6.29 Favored 'General case' 0 CA--C 1.536 0.439 0 CA-C-O 123.291 1.519 . . . . 0.0 107.387 172.531 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 58.5 m-85 -65.85 139.41 58.3 Favored 'General case' 0 N--CA 1.453 -0.32 0 C-N-CA 125.537 1.535 . . . . 0.0 109.02 177.699 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 27' ' ' CYS . . . . . 0.537 ' HA ' ' HA ' ' A' ' 17' ' ' PRO . 7.6 m . . . . . 0 C--N 1.343 0.311 0 C-N-CA 124.551 1.14 . . . . 0.0 111.92 176.979 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 82.0 mt-30 . . . . . 0 N--CA 1.464 0.228 0 N-CA-C 109.187 -0.672 . . . . 0.0 109.187 . . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 4' ' ' CYS . . . . . 0.428 ' HB2' ' HB2' ' A' ' 9' ' ' ASP . 12.1 p -148.28 162.18 40.03 Favored 'General case' 0 N--CA 1.443 -0.806 0 C-N-CA 125.915 1.686 . . . . 0.0 108.638 -175.178 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 7.0 tt0 -99.46 -39.4 8.37 Favored 'General case' 0 N--CA 1.447 -0.593 0 C-N-CA 126.713 2.005 . . . . 0.0 108.747 166.665 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 1.8 p -155.29 174.08 15.72 Favored 'General case' 0 C--O 1.221 -0.445 0 CA-C-O 122.015 0.912 . . . . 0.0 111.333 179.889 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 7.9 p -50.27 -36.78 13.42 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.549 0 CA-C-N 115.537 -0.756 . . . . 0.0 112.636 -173.75 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 3.8 mpt_? -49.03 -45.18 42.3 Favored 'General case' 0 CA--C 1.534 0.327 0 C-N-CA 124.605 1.162 . . . . 0.0 112.025 175.438 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 9' ' ' ASP . . . . . 0.428 ' HB2' ' HB2' ' A' ' 4' ' ' CYS . 49.1 m-20 -54.94 -52.0 64.36 Favored 'General case' 0 N--CA 1.447 -0.603 0 N-CA-C 108.436 -0.95 . . . . 0.0 108.436 176.818 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 10' ' ' CYS . . . . . 0.476 ' SG ' ' HB3' ' A' ' 17' ' ' PRO . 0.1 OUTLIER -61.27 -39.58 90.94 Favored 'General case' 0 C--O 1.215 -0.744 0 C-N-CA 117.108 -1.837 . . . . 0.0 111.442 175.485 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 41.3 mt-30 -56.52 -35.2 67.79 Favored 'General case' 0 CA--C 1.534 0.357 0 CA-C-N 120.946 1.703 . . . . 0.0 110.789 179.287 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 5.7 mt-30 -63.54 -38.49 91.31 Favored 'General case' 0 CA--C 1.539 0.527 0 O-C-N 122.237 -0.29 . . . . 0.0 110.941 173.959 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 5.9 m-85 -73.68 -62.57 1.45 Allowed 'General case' 0 CA--C 1.545 0.772 0 CA-C-N 118.589 0.631 . . . . 0.0 112.605 178.036 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 21.9 m -111.86 141.58 45.32 Favored 'General case' 0 C--O 1.226 -0.135 0 C-N-CA 129.626 3.17 . . . . 0.0 109.292 -162.785 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 3.7 mm? -59.7 -46.15 89.94 Favored 'General case' 0 CA--C 1.531 0.238 0 C-N-CA 122.498 0.319 . . . . 0.0 110.266 175.405 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 11.9 m -129.25 79.64 73.88 Favored Pre-proline 0 C--O 1.235 0.342 0 C-N-CA 123.28 0.632 . . . . 0.0 111.312 -174.345 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 17' ' ' PRO . . . . . 0.539 ' HA ' ' HA ' ' A' ' 27' ' ' CYS . 1.0 OUTLIER -66.66 154.98 72.5 Favored 'Trans proline' 0 N--CA 1.436 -1.887 0 C-N-CA 121.013 1.142 . . . . 0.0 113.111 177.009 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 28.7 t70 -81.89 -61.76 1.83 Allowed 'General case' 0 N--CA 1.454 -0.264 0 N-CA-C 106.038 -1.838 . . . . 0.0 106.038 170.693 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 1.9 ptt85 -163.66 155.02 16.62 Favored 'General case' 0 N--CA 1.448 -0.547 0 N-CA-C 108.902 -0.777 . . . . 0.0 108.902 -178.412 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 52.9 t -82.12 112.6 19.31 Favored 'General case' 0 N--CA 1.453 -0.287 0 N-CA-C 105.531 -2.025 . . . . 0.0 105.531 145.767 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 2.4 m -155.75 141.42 17.92 Favored 'General case' 0 N--CA 1.45 -0.456 0 N-CA-C 108.792 -0.818 . . . . 0.0 108.792 -174.375 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 89.3 m-85 47.69 46.63 18.14 Favored 'General case' 0 CA--C 1.537 0.454 0 C-N-CA 123.702 0.801 . . . . 0.0 110.935 -172.107 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 57.33 14.42 12.67 Favored Glycine 0 CA--C 1.536 1.378 0 C-N-CA 124.421 1.01 . . . . 0.0 114.25 -179.868 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 35.4 m -117.51 129.31 55.72 Favored 'General case' 0 N--CA 1.448 -0.549 0 C-N-CA 125.91 1.684 . . . . 0.0 106.948 -174.118 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 25' ' ' CYS . . . . . . . . . . . . 0.254 0.0 OUTLIER -85.03 86.96 7.34 Favored 'General case' 0 CA--C 1.534 0.337 0 N-CA-C 106.636 -1.616 . . . . 0.0 106.636 172.016 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 69.2 m-85 -68.03 132.6 47.57 Favored 'General case' 0 N--CA 1.45 -0.443 0 CA-C-N 114.455 -1.248 . . . . 0.0 107.811 177.165 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 27' ' ' CYS . . . . . 0.539 ' HA ' ' HA ' ' A' ' 17' ' ' PRO . 36.1 m . . . . . 0 C--N 1.341 0.234 0 CA-C-N 118.477 0.58 . . . . 0.0 111.123 175.745 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 86.4 mt-30 . . . . . 0 N--CA 1.455 -0.182 0 N-CA-C 110.199 -0.297 . . . . 0.0 110.199 . . . . . . . . . 0 0 . 1 . 021 nuclear build core ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 7.1 p -133.3 142.01 48.27 Favored 'General case' 0 CA--C 1.513 -0.443 0 C-N-CA 125.04 1.336 . . . . 0.0 110.02 -170.852 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 32.7 mt-30 -73.05 -34.91 66.58 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.139 -0.937 . . . . 0.0 109.594 174.024 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 4.4 m -173.1 171.82 4.05 Favored 'General case' 0 CA--C 1.53 0.182 0 C-N-CA 126.311 1.845 . . . . 0.0 106.76 -174.338 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 9.6 p -45.97 -39.52 3.27 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.405 0 C-N-CA 124.481 1.112 . . . . 0.0 113.01 -177.464 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 3.9 mpt_? -44.53 -45.14 9.16 Favored 'General case' 0 N--CA 1.464 0.245 0 C-N-CA 124.353 1.061 . . . . 0.0 112.152 174.804 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 3.2 m-20 -62.5 -43.69 98.19 Favored 'General case' 0 N--CA 1.45 -0.472 0 N-CA-C 109.87 -0.419 . . . . 0.0 109.87 -179.381 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 10' ' ' CYS . . . . . 0.475 ' SG ' ' HB3' ' A' ' 17' ' ' PRO . 0.2 OUTLIER -64.81 -35.56 81.48 Favored 'General case' 0 C--O 1.217 -0.642 0 C-N-CA 117.27 -1.772 . . . . 0.0 111.378 171.586 . . . . . . . . 3 3 . 1 . 021 nuclear build core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 43.1 mt-30 -61.13 -39.12 88.85 Favored 'General case' 0 CA--C 1.533 0.291 0 CA-C-N 120.401 1.455 . . . . 0.0 110.003 -178.688 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 5.0 mt-30 -56.03 -44.27 78.59 Favored 'General case' 0 CA--C 1.538 0.497 0 N-CA-C 110.092 -0.336 . . . . 0.0 110.092 170.93 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 17.9 t80 -73.39 -39.78 64.84 Favored 'General case' 0 CA--C 1.539 0.527 0 N-CA-C 114.509 1.3 . . . . 0.0 114.509 -175.017 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 9.1 m -137.45 137.39 38.69 Favored 'General case' 0 N--CA 1.464 0.228 0 C-N-CA 126.657 1.983 . . . . 0.0 109.851 -160.186 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 3.6 mm? -64.65 -25.92 68.16 Favored 'General case' 0 CA--C 1.534 0.334 0 C-N-CA 123.243 0.617 . . . . 0.0 111.585 179.059 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 12.5 m -150.16 81.25 6.87 Favored Pre-proline 0 C--O 1.235 0.315 0 O-C-N 121.294 -0.879 . . . . 0.0 111.285 177.643 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 17' ' ' PRO . . . . . 0.518 ' HA ' ' HA ' ' A' ' 27' ' ' CYS . 4.6 Cg_endo -63.01 150.95 87.14 Favored 'Trans proline' 0 N--CA 1.431 -2.188 0 C-N-CA 121.448 1.432 . . . . 0.0 112.541 175.546 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 8.3 t70 -80.47 -60.03 2.47 Favored 'General case' 0 N--CA 1.449 -0.476 0 N-CA-C 106.564 -1.643 . . . . 0.0 106.564 170.95 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 9.0 ptt-85 -160.62 154.55 22.75 Favored 'General case' 0 N--CA 1.442 -0.869 0 C-N-CA 122.371 0.268 . . . . 0.0 110.393 -177.783 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 54.0 t -91.98 108.96 20.31 Favored 'General case' 0 C--N 1.334 -0.101 0 N-CA-C 105.475 -2.046 . . . . 0.0 105.475 152.664 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 3.6 m -162.23 147.86 12.92 Favored 'General case' 0 N--CA 1.452 -0.331 0 N-CA-C 108.436 -0.95 . . . . 0.0 108.436 -167.108 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 75.1 m-85 51.17 39.83 24.5 Favored 'General case' 0 CA--C 1.539 0.521 0 C-N-CA 123.251 0.62 . . . . 0.0 110.346 -171.073 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 56.06 16.45 13.48 Favored Glycine 0 CA--C 1.533 1.172 0 C-N-CA 124.125 0.869 . . . . 0.0 114.224 -176.966 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 77.4 m -121.91 137.22 54.87 Favored 'General case' 0 N--CA 1.452 -0.352 0 C-N-CA 126.569 1.948 . . . . 0.0 107.41 -171.879 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -90.24 91.89 8.7 Favored 'General case' 0 CA--C 1.534 0.362 0 CA-C-O 123.119 1.438 . . . . 0.0 107.207 172.933 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 47.8 m-85 -71.77 129.48 38.75 Favored 'General case' 0 N--CA 1.451 -0.397 0 C-N-CA 124.937 1.295 . . . . 0.0 108.13 176.476 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 27' ' ' CYS . . . . . 0.518 ' HA ' ' HA ' ' A' ' 17' ' ' PRO . 34.4 m . . . . . 0 C--N 1.343 0.291 0 CA-C-N 118.606 0.639 . . . . 0.0 111.475 173.276 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 78.2 mt-30 . . . . . 0 CA--C 1.535 0.376 0 N-CA-C 109.268 -0.642 . . . . 0.0 109.268 . . . . . . . . . 0 0 . 1 . 022 nuclear build core ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 10.7 p -136.77 164.13 29.0 Favored 'General case' 0 N--CA 1.454 -0.241 0 C-N-CA 126.222 1.809 . . . . 0.0 107.845 168.28 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 2.9 tt0 -97.47 -41.19 8.31 Favored 'General case' 0 N--CA 1.45 -0.464 0 C-N-CA 125.656 1.583 . . . . 0.0 108.833 167.012 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 22.9 m -158.98 155.38 27.46 Favored 'General case' 0 C--O 1.223 -0.307 0 N-CA-C 108.634 -0.876 . . . . 0.0 108.634 -165.675 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 9.4 p -45.43 -36.63 1.93 Allowed 'Isoleucine or valine' 0 CA--C 1.536 0.406 0 N-CA-C 113.473 0.916 . . . . 0.0 113.473 -172.409 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 44.5 ttt85 -47.56 -41.44 21.46 Favored 'General case' 0 CA--C 1.537 0.45 0 C-N-CA 125.016 1.326 . . . . 0.0 113.306 175.586 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 52.1 m-20 -52.61 -52.93 53.05 Favored 'General case' 0 N--CA 1.45 -0.473 0 C-N-CA 124.16 0.984 . . . . 0.0 108.66 173.427 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 10' ' ' CYS . . . . . 0.486 ' HB3' ' CB ' ' A' ' 17' ' ' PRO . 0.1 OUTLIER -63.32 -36.39 83.55 Favored 'General case' 0 N--CA 1.445 -0.688 0 CA-C-O 117.94 -1.029 . . . . 0.0 111.851 175.157 . . . . . . . . 3 3 . 1 . 022 nuclear build core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 45.4 mt-30 -58.04 -34.15 69.75 Favored 'General case' 0 N--CA 1.466 0.345 0 CA-C-N 120.617 1.553 . . . . 0.0 110.728 -179.067 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 32.2 mt-30 -66.55 -45.72 78.44 Favored 'General case' 0 CA--C 1.535 0.399 0 O-C-N 122.155 -0.341 . . . . 0.0 110.364 171.786 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 22.9 t80 -67.24 -40.7 86.36 Favored 'General case' 0 CA--C 1.538 0.501 0 N-CA-C 114.263 1.208 . . . . 0.0 114.263 -174.665 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 13.0 m -137.08 138.89 40.87 Favored 'General case' 0 C--N 1.331 -0.221 0 C-N-CA 127.831 2.452 . . . . 0.0 108.685 -163.573 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -62.22 -46.84 87.06 Favored 'General case' 0 CA--C 1.534 0.352 0 N-CA-C 109.753 -0.462 . . . . 0.0 109.753 177.922 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 18.0 m -124.8 81.49 61.46 Favored Pre-proline 0 C--O 1.235 0.322 0 C-N-CA 123.427 0.691 . . . . 0.0 111.68 -178.457 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 17' ' ' PRO . . . . . 0.526 ' HA ' ' HA ' ' A' ' 27' ' ' CYS . 4.9 Cg_endo -68.05 161.2 45.31 Favored 'Trans proline' 0 N--CA 1.434 -2.022 0 C-N-CA 120.674 0.916 . . . . 0.0 113.356 174.573 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 14.3 t0 -87.97 -62.32 1.52 Allowed 'General case' 0 N--CA 1.448 -0.536 0 N-CA-C 107.224 -1.398 . . . . 0.0 107.224 171.6 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -161.84 156.07 22.16 Favored 'General case' 0 N--CA 1.45 -0.449 0 C-N-CA 123.918 0.887 . . . . 0.0 108.679 -176.064 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 52.8 t -84.39 113.7 21.36 Favored 'General case' 0 N--CA 1.455 -0.204 0 N-CA-C 105.554 -2.017 . . . . 0.0 105.554 146.715 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 2.5 m -159.33 147.14 17.44 Favored 'General case' 0 N--CA 1.449 -0.504 0 N-CA-C 108.665 -0.865 . . . . 0.0 108.665 -171.964 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 10.1 t80 55.48 30.06 14.44 Favored 'General case' 0 CA--C 1.54 0.57 0 C-N-CA 123.217 0.607 . . . . 0.0 111.837 -176.922 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 71.9 6.73 64.43 Favored Glycine 0 CA--C 1.536 1.396 0 CA-C-O 119.296 -0.724 . . . . 0.0 114.034 -178.558 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 23.3 m -120.54 139.03 53.52 Favored 'General case' 0 N--CA 1.454 -0.228 0 C-N-CA 126.596 1.959 . . . . 0.0 109.335 -176.676 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -81.94 92.14 6.69 Favored 'General case' 0 CA--C 1.532 0.267 0 N-CA-C 106.728 -1.582 . . . . 0.0 106.728 168.744 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 41.6 m-85 -69.85 124.68 24.63 Favored 'General case' 0 N--CA 1.449 -0.487 0 N-CA-C 106.908 -1.515 . . . . 0.0 106.908 175.767 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 27' ' ' CYS . . . . . 0.526 ' HA ' ' HA ' ' A' ' 17' ' ' PRO . 57.4 m . . . . . 0 C--N 1.34 0.174 0 CA-C-N 118.717 0.69 . . . . 0.0 110.031 172.681 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 82.8 mt-30 . . . . . 0 N--CA 1.464 0.231 0 N-CA-C 108.966 -0.753 . . . . 0.0 108.966 . . . . . . . . . 0 0 . 1 . 023 nuclear build core ' A' A ' 4' ' ' CYS . . . . . 0.433 ' HB2' ' HB2' ' A' ' 9' ' ' ASP . 13.5 p -138.32 166.47 24.14 Favored 'General case' 0 N--CA 1.446 -0.645 0 C-N-CA 126.907 2.083 . . . . 0.0 108.72 -177.164 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 6.8 tt0 -103.81 -38.76 6.91 Favored 'General case' 0 N--CA 1.451 -0.383 0 C-N-CA 126.955 2.102 . . . . 0.0 109.178 166.884 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 2.6 p -155.78 177.92 10.85 Favored 'General case' 0 CA--C 1.513 -0.458 0 CA-C-O 122.269 1.033 . . . . 0.0 110.685 179.441 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 8.8 p -54.12 -35.58 29.68 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.768 0 CA-C-N 115.419 -0.81 . . . . 0.0 112.051 -176.177 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -41.56 -45.66 3.37 Favored 'General case' 0 CA--C 1.536 0.405 0 C-N-CA 125.353 1.461 . . . . 0.0 112.796 170.204 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 9' ' ' ASP . . . . . 0.433 ' HB2' ' HB2' ' A' ' 4' ' ' CYS . 32.3 m-20 -61.24 -55.89 26.84 Favored 'General case' 0 N--CA 1.448 -0.568 0 N-CA-C 108.241 -1.022 . . . . 0.0 108.241 179.398 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 10' ' ' CYS . . . . . 0.5 ' SG ' ' HB3' ' A' ' 17' ' ' PRO . 0.1 OUTLIER -57.68 -35.76 71.03 Favored 'General case' 0 C--O 1.22 -0.489 0 C-N-CA 119.223 -0.991 . . . . 0.0 112.175 179.195 . . . . . . . . 3 3 . 1 . 023 nuclear build core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 39.8 mt-30 -56.67 -25.22 53.27 Favored 'General case' 0 CA--C 1.536 0.434 0 CA-C-N 119.512 1.051 . . . . 0.0 111.696 179.223 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 34.2 mt-30 -83.52 -44.17 14.97 Favored 'General case' 0 CA--C 1.532 0.273 0 C-N-CA 122.826 0.45 . . . . 0.0 109.918 174.675 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 83.5 m-85 -68.67 -25.28 64.73 Favored 'General case' 0 CA--C 1.544 0.744 0 N-CA-C 113.113 0.782 . . . . 0.0 113.113 -179.563 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 26.5 m -150.74 139.18 20.45 Favored 'General case' 0 N--CA 1.461 0.124 0 C-N-CA 125.89 1.676 . . . . 0.0 109.209 -165.283 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -63.82 -47.38 81.05 Favored 'General case' 0 CA--C 1.535 0.38 0 N-CA-C 109.635 -0.506 . . . . 0.0 109.635 177.088 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 7.2 m -125.64 76.52 69.9 Favored Pre-proline 0 CA--C 1.534 0.328 0 C-N-CA 123.385 0.674 . . . . 0.0 112.169 -174.977 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 17' ' ' PRO . . . . . 0.5 ' HB3' ' SG ' ' A' ' 10' ' ' CYS . 1.7 Cg_endo -65.0 153.68 77.12 Favored 'Trans proline' 0 N--CA 1.435 -1.937 0 C-N-CA 121.328 1.352 . . . . 0.0 113.449 177.757 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 14.0 t0 -88.38 -60.54 1.94 Allowed 'General case' 0 N--CA 1.451 -0.39 0 N-CA-C 106.905 -1.517 . . . . 0.0 106.905 174.594 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 1.9 ptt-85 -158.95 149.89 20.08 Favored 'General case' 0 N--CA 1.45 -0.443 0 C-N-CA 122.99 0.516 . . . . 0.0 109.874 176.613 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 46.5 t -82.1 113.05 19.7 Favored 'General case' 0 C--N 1.332 -0.194 0 N-CA-C 105.633 -1.988 . . . . 0.0 105.633 148.734 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 2.5 m -160.61 143.1 12.9 Favored 'General case' 0 N--CA 1.452 -0.357 0 N-CA-C 108.495 -0.928 . . . . 0.0 108.495 -170.425 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 88.7 m-85 49.72 43.15 24.41 Favored 'General case' 0 CA--C 1.538 0.496 0 C-N-CA 123.46 0.704 . . . . 0.0 111.118 -173.108 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 56.91 16.7 18.96 Favored Glycine 0 CA--C 1.536 1.362 0 C-N-CA 123.954 0.788 . . . . 0.0 113.978 -178.743 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 56.1 m -123.18 133.36 54.25 Favored 'General case' 0 N--CA 1.448 -0.557 0 C-N-CA 126.18 1.792 . . . . 0.0 107.1 -172.818 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 25' ' ' CYS . . . . . . . . . . . . 0.282 0.0 OUTLIER -90.96 88.05 6.86 Favored 'General case' 0 CA--C 1.535 0.39 0 CA-C-O 123.12 1.438 . . . . 0.0 107.67 175.407 . . . . . . . . 3 3 . 1 . 023 nuclear build core ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 56.3 m-85 -65.9 131.87 47.28 Favored 'General case' 0 N--CA 1.453 -0.31 0 C-N-CA 124.893 1.277 . . . . 0.0 108.044 176.677 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 27' ' ' CYS . . . . . 0.481 ' HA ' ' HA ' ' A' ' 17' ' ' PRO . 36.8 m . . . . . 0 CA--C 1.519 -0.239 0 C-N-CA 123.219 0.608 . . . . 0.0 111.085 178.334 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 81.7 mt-30 . . . . . 0 N--CA 1.462 0.146 0 N-CA-C 108.984 -0.747 . . . . 0.0 108.984 . . . . . . . . . 0 0 . 1 . 024 nuclear build core ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 12.5 p -140.89 165.24 28.06 Favored 'General case' 0 N--CA 1.445 -0.713 0 C-N-CA 126.203 1.801 . . . . 0.0 108.575 -176.277 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -104.11 -36.98 7.51 Favored 'General case' 0 N--CA 1.448 -0.567 0 C-N-CA 126.738 2.015 . . . . 0.0 109.227 170.383 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 6.1 m -162.66 162.84 27.17 Favored 'General case' 0 C--O 1.222 -0.368 0 C-N-CA 124.044 0.937 . . . . 0.0 109.062 -174.149 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 9.1 p -47.56 -35.44 4.18 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.521 0 N-CA-C 113.692 0.997 . . . . 0.0 113.692 -172.01 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 8.5 mmp_? -36.92 -52.64 0.94 Allowed 'General case' 0 CA--C 1.535 0.367 0 C-N-CA 125.394 1.477 . . . . 0.0 112.793 168.896 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 33.6 m-20 -51.95 -55.77 18.32 Favored 'General case' 0 N--CA 1.447 -0.589 0 C-N-CA 124.858 1.263 . . . . 0.0 108.975 178.704 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 10' ' ' CYS . . . . . 0.462 ' SG ' ' HB3' ' A' ' 17' ' ' PRO . 0.1 OUTLIER -61.36 -37.77 84.56 Favored 'General case' 0 C--O 1.218 -0.587 0 C-N-CA 118.964 -1.094 . . . . 0.0 111.584 177.771 . . . . . . . . 3 3 . 1 . 024 nuclear build core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 87.5 mt-30 -60.53 -33.22 72.33 Favored 'General case' 0 CA--C 1.53 0.196 0 CA-C-N 119.466 1.03 . . . . 0.0 110.441 -178.09 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 27.4 mt-30 -64.38 -43.56 94.11 Favored 'General case' 0 CA--C 1.536 0.433 0 O-C-N 122.072 -0.392 . . . . 0.0 110.428 170.334 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 27.9 m-85 -81.4 -20.91 39.48 Favored 'General case' 0 CA--C 1.542 0.662 0 N-CA-C 115.435 1.643 . . . . 0.0 115.435 -174.942 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 16.8 m -148.15 137.48 22.13 Favored 'General case' 0 C--O 1.225 -0.192 0 C-N-CA 125.547 1.539 . . . . 0.0 108.474 -166.759 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -61.63 -49.36 76.89 Favored 'General case' 0 CA--C 1.533 0.325 0 N-CA-C 109.717 -0.475 . . . . 0.0 109.717 178.756 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 21.8 m -125.36 81.81 63.47 Favored Pre-proline 0 C--O 1.237 0.403 0 C-N-CA 123.482 0.713 . . . . 0.0 111.534 -178.979 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 17' ' ' PRO . . . . . 0.526 ' HA ' ' HA ' ' A' ' 27' ' ' CYS . 3.8 Cg_endo -65.99 157.49 59.1 Favored 'Trans proline' 0 N--CA 1.433 -2.066 0 C-N-CA 121.012 1.142 . . . . 0.0 112.451 173.691 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 31.1 t0 -83.62 -61.4 1.84 Allowed 'General case' 0 N--CA 1.448 -0.538 0 N-CA-C 107.048 -1.464 . . . . 0.0 107.048 167.806 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 1.2 ptt85 -162.1 154.53 19.58 Favored 'General case' 0 N--CA 1.449 -0.496 0 N-CA-C 109.313 -0.625 . . . . 0.0 109.313 -176.306 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 50.4 t -81.28 112.7 18.83 Favored 'General case' 0 N--CA 1.454 -0.272 0 N-CA-C 105.613 -1.995 . . . . 0.0 105.613 145.159 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 2.3 m -156.62 144.13 19.12 Favored 'General case' 0 N--CA 1.45 -0.447 0 O-C-N 121.353 -0.842 . . . . 0.0 109.062 -173.866 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 96.2 m-85 49.33 42.53 22.19 Favored 'General case' 0 CA--C 1.538 0.489 0 C-N-CA 123.44 0.696 . . . . 0.0 110.815 -171.176 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 55.62 17.93 15.05 Favored Glycine 0 CA--C 1.535 1.309 0 C-N-CA 124.109 0.861 . . . . 0.0 114.013 -178.27 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 57.2 m -121.93 133.87 54.85 Favored 'General case' 0 N--CA 1.449 -0.5 0 C-N-CA 126.416 1.886 . . . . 0.0 106.936 -173.572 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 25' ' ' CYS . . . . . . . . . . . . 0.263 0.0 OUTLIER -87.39 92.33 9.04 Favored 'General case' 0 CA--C 1.535 0.396 0 CA-C-O 122.836 1.303 . . . . 0.0 107.623 174.152 . . . . . . . . 3 3 . 1 . 024 nuclear build core ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 50.7 m-85 -70.45 130.02 40.8 Favored 'General case' 0 N--CA 1.452 -0.37 0 C-N-CA 124.713 1.205 . . . . 0.0 108.249 176.876 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 27' ' ' CYS . . . . . 0.526 ' HA ' ' HA ' ' A' ' 17' ' ' PRO . 33.2 m . . . . . 0 C--N 1.343 0.285 0 C-N-CA 123.275 0.63 . . . . 0.0 111.743 174.477 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 80.9 mt-30 . . . . . 0 CA--C 1.53 0.197 0 N-CA-C 110.305 -0.257 . . . . 0.0 110.305 . . . . . . . . . 0 0 . 1 . 025 nuclear build core ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 4.6 p -137.29 153.55 50.28 Favored 'General case' 0 N--CA 1.449 -0.494 0 C-N-CA 125.71 1.604 . . . . 0.0 108.642 178.529 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 8.5 tt0 -78.9 -42.68 26.59 Favored 'General case' 0 N--CA 1.451 -0.404 0 C-N-CA 124.614 1.166 . . . . 0.0 109.611 166.671 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 5.8 m -170.18 174.33 5.43 Favored 'General case' 0 CA--C 1.53 0.187 0 C-N-CA 125.93 1.692 . . . . 0.0 107.109 -172.457 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 9.4 p -51.01 -33.13 12.72 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.53 0 C-N-CA 124.115 0.966 . . . . 0.0 113.092 -176.748 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 81.3 mtt-85 -46.99 -44.03 19.84 Favored 'General case' 0 CA--C 1.533 0.309 0 C-N-CA 123.622 0.769 . . . . 0.0 112.262 171.12 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -62.02 -49.7 75.0 Favored 'General case' 0 N--CA 1.451 -0.395 0 N-CA-C 109.253 -0.647 . . . . 0.0 109.253 -179.856 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 10' ' ' CYS . . . . . 0.474 ' SG ' ' HB3' ' A' ' 17' ' ' PRO . 0.1 OUTLIER -61.15 -34.95 75.84 Favored 'General case' 0 C--O 1.218 -0.573 0 C-N-CA 117.157 -1.817 . . . . 0.0 111.172 176.25 . . . . . . . . 3 3 . 1 . 025 nuclear build core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 40.7 mt-30 -59.98 -39.26 85.09 Favored 'General case' 0 CA--C 1.532 0.288 0 CA-C-N 119.841 1.201 . . . . 0.0 111.306 -178.126 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 18.1 pt20 -68.94 -28.19 66.42 Favored 'General case' 0 N--CA 1.444 -0.748 0 CA-C-N 119.184 0.902 . . . . 0.0 112.071 171.961 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 10.1 t80 -77.59 -36.72 51.65 Favored 'General case' 0 CA--C 1.539 0.539 0 N-CA-C 113.971 1.1 . . . . 0.0 113.971 -179.433 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 7.6 m -141.59 136.48 31.08 Favored 'General case' 0 N--CA 1.462 0.161 0 C-N-CA 127.054 2.141 . . . . 0.0 108.673 -163.271 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -66.61 -23.34 66.16 Favored 'General case' 0 CA--C 1.538 0.484 0 O-C-N 122.25 -0.281 . . . . 0.0 111.502 178.776 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 8.2 m -149.03 80.12 8.12 Favored Pre-proline 0 C--O 1.238 0.477 0 O-C-N 120.991 -1.068 . . . . 0.0 111.507 176.644 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 17' ' ' PRO . . . . . 0.514 ' HA ' ' HA ' ' A' ' 27' ' ' CYS . 6.8 Cg_endo -63.5 162.35 27.94 Favored 'Trans proline' 0 N--CA 1.432 -2.141 0 C-N-CA 122.139 1.892 . . . . 0.0 112.682 174.988 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 25.4 t0 -92.05 -60.69 1.79 Allowed 'General case' 0 N--CA 1.448 -0.566 0 N-CA-C 105.834 -1.913 . . . . 0.0 105.834 172.476 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 1.6 ptt85 -163.53 154.12 15.95 Favored 'General case' 0 N--CA 1.448 -0.552 0 N-CA-C 108.91 -0.774 . . . . 0.0 108.91 -177.999 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 53.3 t -82.23 111.69 18.55 Favored 'General case' 0 N--CA 1.454 -0.247 0 N-CA-C 105.381 -2.081 . . . . 0.0 105.381 146.629 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 2.4 m -156.56 144.32 19.34 Favored 'General case' 0 N--CA 1.449 -0.502 0 N-CA-C 108.686 -0.857 . . . . 0.0 108.686 -172.993 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 35.8 t80 51.22 42.41 28.85 Favored 'General case' 0 CA--C 1.538 0.512 0 CA-C-O 121.572 0.701 . . . . 0.0 110.963 -174.889 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 56.02 17.64 16.9 Favored Glycine 0 CA--C 1.536 1.402 0 C-N-CA 124.317 0.96 . . . . 0.0 114.231 -177.848 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 52.8 m -123.74 131.56 53.62 Favored 'General case' 0 N--CA 1.45 -0.452 0 C-N-CA 126.708 2.003 . . . . 0.0 107.237 -172.764 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 25' ' ' CYS . . . . . . . . . . . . 0.252 0.0 OUTLIER -85.05 90.87 7.95 Favored 'General case' 0 CA--C 1.535 0.385 0 N-CA-C 107.392 -1.336 . . . . 0.0 107.392 172.141 . . . . . . . . 3 3 . 1 . 025 nuclear build core ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 56.7 m-85 -70.6 135.84 48.74 Favored 'General case' 0 N--CA 1.452 -0.336 0 C-N-CA 124.866 1.267 . . . . 0.0 108.344 177.041 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 27' ' ' CYS . . . . . 0.514 ' HA ' ' HA ' ' A' ' 17' ' ' PRO . 13.0 m . . . . . 0 C--N 1.342 0.265 0 C-N-CA 123.88 0.872 . . . . 0.0 111.545 173.793 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 1' ' ' PCA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.462 0 N-CA-C 108.406 -0.961 . . . . 0.0 108.406 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 2.7 p -122.38 99.49 6.44 Favored 'General case' 0 N--CA 1.447 -0.6 0 C-N-CA 125.295 1.438 . . . . 0.0 108.177 -176.622 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 85.3 mt-30 -55.84 -30.53 61.6 Favored 'General case' 0 CA--C 1.533 0.312 0 N-CA-C 111.972 0.36 . . . . 0.0 111.972 175.184 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 22.0 p -136.57 159.37 42.0 Favored 'General case' 0 CA--C 1.514 -0.416 0 C-N-CA 124.684 1.194 . . . . 0.0 109.591 -176.285 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 91.0 mt-30 -99.08 -37.19 9.44 Favored 'General case' 0 N--CA 1.448 -0.528 0 C-N-CA 125.696 1.599 . . . . 0.0 109.043 171.668 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 23.0 m -160.22 164.69 32.56 Favored 'General case' 0 C--O 1.225 -0.232 0 N-CA-C 109.151 -0.685 . . . . 0.0 109.151 -171.224 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 9.8 p -47.69 -37.83 6.01 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.468 0 C-N-CA 123.748 0.819 . . . . 0.0 112.443 -178.433 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 8.6 tmm_? -29.14 -54.03 0.12 Allowed 'General case' 0 CA--C 1.534 0.36 0 C-N-CA 127.826 2.451 . . . . 0.0 113.345 165.207 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 66.8 m-20 -61.46 -47.77 84.19 Favored 'General case' 0 N--CA 1.445 -0.712 0 C-N-CA 125.125 1.37 . . . . 0.0 108.941 -177.708 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 10' ' ' CYS . . . . . 0.503 ' HB3' ' CB ' ' A' ' 17' ' ' PRO . 0.1 OUTLIER -66.82 -32.71 74.16 Favored 'General case' 0 N--CA 1.447 -0.61 0 C-N-CA 118.325 -1.35 . . . . 0.0 112.099 174.954 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 89.1 mt-30 -61.04 -38.14 85.11 Favored 'General case' 0 CA--C 1.53 0.204 0 CA-C-N 120.08 1.309 . . . . 0.0 110.788 -175.516 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 6.7 pt20 -71.24 -35.36 71.42 Favored 'General case' 0 N--CA 1.441 -0.881 0 O-C-N 121.612 -0.68 . . . . 0.0 111.546 171.043 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 17.3 t80 -67.69 -38.71 84.05 Favored 'General case' 0 CA--C 1.54 0.558 0 N-CA-C 114.063 1.134 . . . . 0.0 114.063 -179.593 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 19.2 m -143.28 138.47 29.58 Favored 'General case' 0 CA--C 1.52 -0.177 0 C-N-CA 127.289 2.235 . . . . 0.0 108.618 -162.176 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 3.9 mm? -63.73 -41.85 98.0 Favored 'General case' 0 CA--C 1.532 0.265 0 O-C-N 122.309 -0.244 . . . . 0.0 110.652 177.576 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 18.9 m -129.31 78.84 75.23 Favored Pre-proline 0 C--O 1.236 0.387 0 C-N-CA 123.138 0.575 . . . . 0.0 111.682 -178.831 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 17' ' ' PRO . . . . . 0.523 ' HA ' ' HA ' ' A' ' 27' ' ' CYS . 4.8 Cg_endo -65.38 159.4 47.67 Favored 'Trans proline' 0 N--CA 1.434 -1.997 0 C-N-CA 121.133 1.222 . . . . 0.0 112.668 175.382 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 17.3 t70 -92.41 -61.77 1.54 Allowed 'General case' 0 N--CA 1.448 -0.561 0 N-CA-C 107.677 -1.231 . . . . 0.0 107.677 172.316 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 2.4 ptt180 -158.04 148.7 20.69 Favored 'General case' 0 N--CA 1.445 -0.705 0 C-N-CA 122.674 0.39 . . . . 0.0 110.503 179.065 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 42.0 t -79.67 109.69 14.31 Favored 'General case' 0 N--CA 1.455 -0.178 0 N-CA-C 105.896 -1.89 . . . . 0.0 105.896 149.772 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 2.9 m -161.07 157.43 26.08 Favored 'General case' 0 N--CA 1.449 -0.519 0 N-CA-C 107.319 -1.363 . . . . 0.0 107.319 -173.717 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 16.1 t80 51.61 32.92 9.81 Favored 'General case' 0 CA--C 1.541 0.604 0 C-N-CA 123.128 0.571 . . . . 0.0 112.187 179.376 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 52.67 28.44 30.17 Favored Glycine 0 CA--C 1.533 1.172 0 C-N-CA 124.426 1.012 . . . . 0.0 113.901 -177.591 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 12.0 m -152.94 114.97 4.36 Favored 'General case' 0 C--O 1.226 -0.176 0 N-CA-C 107.315 -1.365 . . . . 0.0 107.315 -175.116 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 25' ' ' CYS . . . . . . . . . . . . 0.254 0.5 OUTLIER -72.94 103.47 3.76 Favored 'General case' 0 CA--C 1.536 0.413 0 CA-C-O 122.591 1.186 . . . . 0.0 110.024 -171.305 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 68.0 m-85 -69.58 132.74 46.7 Favored 'General case' 0 N--CA 1.448 -0.548 0 C-N-CA 125.993 1.717 . . . . 0.0 108.115 179.686 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 27' ' ' CYS . . . . . 0.523 ' HA ' ' HA ' ' A' ' 17' ' ' PRO . 36.8 m -112.55 140.42 47.31 Favored 'General case' 0 C--N 1.343 0.285 0 O-C-N 123.623 0.577 . . . . 0.0 111.264 173.869 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 19.3 ttmm -74.85 -34.42 62.28 Favored 'General case' 0 N--CA 1.448 -0.561 0 C-N-CA 122.66 0.384 . . . . 0.0 110.889 -166.44 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 21.7 m -153.26 88.21 1.29 Allowed 'General case' 0 N--CA 1.454 -0.234 0 N-CA-C 107.89 -1.152 . . . . 0.0 107.89 176.244 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 7.9 m -155.39 149.97 26.22 Favored 'General case' 0 CA--C 1.53 0.186 0 N-CA-C 106.71 -1.589 . . . . 0.0 106.71 176.971 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 31' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.333 -0.126 0 CA-C-N 118.214 0.461 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 1' ' ' PCA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.365 0 N-CA-C 110.005 -0.369 . . . . 0.0 110.005 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 13.8 m -145.07 -117.43 0.09 Allowed 'General case' 0 C--N 1.33 -0.256 0 N-CA-C 107.788 -1.19 . . . . 0.0 107.788 172.943 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 81.0 mt-30 -60.44 -30.46 69.66 Favored 'General case' 0 CA--C 1.531 0.223 0 CA-C-N 119.023 0.829 . . . . 0.0 110.251 170.003 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 4.5 p -136.41 152.92 51.13 Favored 'General case' 0 N--CA 1.449 -0.48 0 C-N-CA 125.606 1.562 . . . . 0.0 108.774 178.846 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 8.3 tt0 -78.58 -42.08 30.09 Favored 'General case' 0 N--CA 1.452 -0.343 0 C-N-CA 124.733 1.213 . . . . 0.0 109.687 166.414 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 9.7 m -168.57 175.37 6.23 Favored 'General case' 0 CA--C 1.529 0.166 0 C-N-CA 126.419 1.888 . . . . 0.0 106.838 -174.782 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 7.9 p -49.03 -37.93 10.26 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.392 0 C-N-CA 123.683 0.793 . . . . 0.0 112.346 -177.988 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 48.0 ttt85 -47.18 -40.03 15.08 Favored 'General case' 0 CA--C 1.533 0.317 0 C-N-CA 125.117 1.367 . . . . 0.0 112.493 174.63 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -63.83 -47.92 78.89 Favored 'General case' 0 N--CA 1.454 -0.238 0 N-CA-C 109.126 -0.694 . . . . 0.0 109.126 176.771 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 10' ' ' CYS . . . . . 0.472 ' HB3' ' CB ' ' A' ' 17' ' ' PRO . 0.1 OUTLIER -60.25 -33.53 72.42 Favored 'General case' 0 N--CA 1.448 -0.569 0 C-N-CA 117.536 -1.666 . . . . 0.0 111.072 175.372 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 40.9 mt-30 -57.33 -35.89 70.46 Favored 'General case' 0 CA--C 1.536 0.41 0 CA-C-N 120.105 1.321 . . . . 0.0 111.795 -179.075 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 16.2 pt20 -75.6 -29.16 59.17 Favored 'General case' 0 N--CA 1.446 -0.672 0 CA-C-N 119.246 0.93 . . . . 0.0 111.644 172.356 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 4.3 t80 -73.97 -35.89 64.52 Favored 'General case' 0 CA--C 1.542 0.672 0 C-N-CA 124.246 1.018 . . . . 0.0 113.51 -179.734 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 10.3 m -145.89 139.07 26.02 Favored 'General case' 0 N--CA 1.462 0.132 0 C-N-CA 127.19 2.196 . . . . 0.0 107.965 -163.282 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 3.9 mm? -63.17 -41.95 99.32 Favored 'General case' 0 CA--C 1.532 0.287 0 CA-C-O 119.636 -0.221 . . . . 0.0 110.485 176.548 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 14.2 m -130.54 77.64 75.49 Favored Pre-proline 0 CA--C 1.537 0.467 0 C-N-CA 123.075 0.55 . . . . 0.0 111.991 -177.607 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 17' ' ' PRO . . . . . 0.507 ' HA ' ' HA ' ' A' ' 27' ' ' CYS . 5.3 Cg_endo -65.04 160.22 42.72 Favored 'Trans proline' 0 N--CA 1.436 -1.903 0 C-N-CA 121.467 1.445 . . . . 0.0 112.814 176.052 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 27.9 t70 -96.58 -61.36 1.43 Allowed 'General case' 0 N--CA 1.449 -0.49 0 C-N-CA 125.525 1.53 . . . . 0.0 107.401 175.269 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 11.1 ptt180 -158.31 150.95 22.23 Favored 'General case' 0 N--CA 1.44 -0.944 0 C-N-CA 122.623 0.369 . . . . 0.0 110.132 -179.613 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 47.7 t -87.37 110.58 20.35 Favored 'General case' 0 C--N 1.333 -0.144 0 N-CA-C 105.552 -2.018 . . . . 0.0 105.552 151.872 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 3.3 m -160.73 145.08 13.93 Favored 'General case' 0 N--CA 1.45 -0.468 0 N-CA-C 108.097 -1.075 . . . . 0.0 108.097 -169.206 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 79.6 m-85 50.24 41.31 23.98 Favored 'General case' 0 CA--C 1.536 0.41 0 C-N-CA 123.186 0.595 . . . . 0.0 110.767 -172.013 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 55.05 19.43 15.44 Favored Glycine 0 CA--C 1.536 1.354 0 C-N-CA 124.258 0.932 . . . . 0.0 114.069 -178.015 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 62.5 m -124.2 136.19 53.99 Favored 'General case' 0 N--CA 1.45 -0.428 0 C-N-CA 126.595 1.958 . . . . 0.0 107.057 -173.36 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 25' ' ' CYS . . . . . . . . . . . . 0.271 0.1 OUTLIER -92.17 87.87 6.27 Favored 'General case' 0 CA--C 1.537 0.462 0 CA-C-O 122.961 1.362 . . . . 0.0 107.932 175.013 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 39.1 m-85 -64.88 137.49 57.79 Favored 'General case' 0 N--CA 1.454 -0.24 0 C-N-CA 125.081 1.352 . . . . 0.0 108.399 175.984 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 27' ' ' CYS . . . . . 0.507 ' HA ' ' HA ' ' A' ' 17' ' ' PRO . 18.0 m -122.52 151.08 41.71 Favored 'General case' 0 C--N 1.343 0.296 0 C-N-CA 123.749 0.82 . . . . 0.0 111.663 174.758 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 61.8 mttm -77.34 66.79 3.17 Favored 'General case' 0 CA--C 1.53 0.19 0 N-CA-C 108.654 -0.869 . . . . 0.0 108.654 178.904 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 6.2 m -152.23 54.08 0.81 Allowed 'General case' 0 C--N 1.33 -0.263 0 N-CA-C 107.789 -1.189 . . . . 0.0 107.789 -178.734 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 2.1 m -73.79 63.92 0.91 Allowed 'General case' 0 CA--C 1.536 0.407 0 C-N-CA 125.324 1.45 . . . . 0.0 111.4 -172.595 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 31' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.331 -0.228 0 O-C-N 121.484 -0.76 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 1' ' ' PCA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.321 0 N-CA-C 107.806 -1.183 . . . . 0.0 107.806 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 19.2 p -157.04 159.01 37.54 Favored 'General case' 0 N--CA 1.44 -0.97 0 N-CA-C 103.764 -2.68 . . . . 0.0 103.764 -176.345 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 85.5 mt-30 -67.05 -40.42 87.11 Favored 'General case' 0 C--N 1.325 -0.457 0 C-N-CA 122.909 0.484 . . . . 0.0 110.067 170.17 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 24.7 p -145.1 160.06 42.0 Favored 'General case' 0 N--CA 1.449 -0.49 0 C-N-CA 124.838 1.255 . . . . 0.0 109.949 -168.226 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 34.7 mt-30 -108.85 -25.21 10.9 Favored 'General case' 0 N--CA 1.45 -0.428 0 C-N-CA 125.558 1.543 . . . . 0.0 110.47 173.814 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 11.0 m -162.39 156.67 21.55 Favored 'General case' 0 C--O 1.222 -0.391 0 N-CA-C 108.467 -0.938 . . . . 0.0 108.467 -175.558 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 7.8 p -49.61 -32.6 7.06 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.511 0 N-CA-C 113.179 0.807 . . . . 0.0 113.179 -175.008 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 82.7 mtt85 -46.19 -42.44 14.08 Favored 'General case' 0 CA--C 1.535 0.393 0 C-N-CA 124.668 1.187 . . . . 0.0 112.81 172.894 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 64.2 m-20 -55.0 -52.56 62.73 Favored 'General case' 0 N--CA 1.447 -0.602 0 N-CA-C 108.17 -1.048 . . . . 0.0 108.17 174.665 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 10' ' ' CYS . . . . . 0.449 ' HB3' ' CB ' ' A' ' 17' ' ' PRO . 0.1 OUTLIER -61.11 -36.38 79.57 Favored 'General case' 0 C--O 1.219 -0.514 0 C-N-CA 118.709 -1.196 . . . . 0.0 112.277 174.746 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 39.3 mt-30 -57.42 -37.94 73.57 Favored 'General case' 0 CA--C 1.531 0.239 0 CA-C-N 120.153 1.342 . . . . 0.0 110.815 179.742 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -69.97 -28.44 65.54 Favored 'General case' 0 N--CA 1.446 -0.658 0 O-C-N 121.487 -0.758 . . . . 0.0 110.992 174.163 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 5.8 t80 -80.25 -34.63 36.95 Favored 'General case' 0 CA--C 1.539 0.553 0 C-N-CA 124.443 1.097 . . . . 0.0 113.48 -177.156 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 8.1 m -145.89 139.62 26.42 Favored 'General case' 0 CA--C 1.52 -0.197 0 C-N-CA 126.414 1.886 . . . . 0.0 108.899 -162.614 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 4.0 mm? -61.76 -42.75 99.39 Favored 'General case' 0 CA--C 1.531 0.221 0 N-CA-C 110.187 -0.301 . . . . 0.0 110.187 173.699 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 5.9 m -129.13 72.0 81.99 Favored Pre-proline 0 C--O 1.237 0.442 0 N-CA-C 112.115 0.413 . . . . 0.0 112.115 -172.064 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 17' ' ' PRO . . . . . 0.533 ' HA ' ' HA ' ' A' ' 27' ' ' CYS . 2.1 Cg_endo -66.46 173.85 7.11 Favored 'Trans proline' 0 N--CA 1.431 -2.155 0 CA-C-O 122.765 1.069 . . . . 0.0 113.287 -179.29 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 9.7 t70 -104.84 -61.96 1.4 Allowed 'General case' 0 N--CA 1.44 -0.959 0 CA-C-N 114.558 -1.201 . . . . 0.0 108.175 170.229 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -162.34 152.0 16.06 Favored 'General case' 0 N--CA 1.445 -0.684 0 N-CA-C 108.126 -1.064 . . . . 0.0 108.126 -175.932 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 52.4 t -77.58 110.92 12.8 Favored 'General case' 0 N--CA 1.448 -0.555 0 N-CA-C 105.711 -1.959 . . . . 0.0 105.711 146.009 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 2.1 m -152.62 142.4 22.0 Favored 'General case' 0 N--CA 1.449 -0.521 0 N-CA-C 108.8 -0.815 . . . . 0.0 108.8 -174.182 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 72.8 m-85 50.43 42.16 25.89 Favored 'General case' 0 CA--C 1.537 0.456 0 C-N-CA 123.773 0.829 . . . . 0.0 110.87 -170.346 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 55.48 18.34 15.11 Favored Glycine 0 CA--C 1.534 1.227 0 C-N-CA 124.145 0.879 . . . . 0.0 113.883 -178.288 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 56.6 m -123.46 136.44 54.59 Favored 'General case' 0 N--CA 1.45 -0.466 0 C-N-CA 126.589 1.956 . . . . 0.0 106.29 -174.13 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 25' ' ' CYS . . . . . . . . . . . . 0.261 0.0 OUTLIER -85.82 91.78 8.43 Favored 'General case' 0 CA--C 1.534 0.338 0 N-CA-C 107.338 -1.356 . . . . 0.0 107.338 174.342 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 13.5 m-85 -64.19 130.03 42.31 Favored 'General case' 0 N--CA 1.451 -0.375 0 N-CA-C 106.988 -1.486 . . . . 0.0 106.988 172.889 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 27' ' ' CYS . . . . . 0.533 ' HA ' ' HA ' ' A' ' 17' ' ' PRO . 11.1 m -112.47 155.35 24.41 Favored 'General case' 0 CA--C 1.514 -0.419 0 CA-C-N 118.202 0.455 . . . . 0.0 110.462 166.264 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 19.4 pttm -117.15 29.96 7.59 Favored 'General case' 0 CA--C 1.536 0.431 0 O-C-N 123.856 0.723 . . . . 0.0 109.86 165.81 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 5.3 m -72.07 69.93 0.77 Allowed 'General case' 0 CA--C 1.535 0.367 0 C-N-CA 124.531 1.132 . . . . 0.0 109.674 177.902 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 30' ' ' THR . . . . . 0.607 ' HG1' ' N ' ' A' ' 31' ' ' NH2 . 9.8 t -159.2 -171.62 3.43 Favored 'General case' 0 N--CA 1.454 -0.248 0 C-N-CA 124.23 1.012 . . . . 0.0 108.551 178.659 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 31' ' ' NH2 . . . . . 0.607 ' N ' ' HG1' ' A' ' 30' ' ' THR . . . . . . . . 0 C--N 1.33 -0.265 0 O-C-N 122.282 -0.261 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 1' ' ' PCA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.532 0.275 0 N-CA-C 109.979 -0.378 . . . . 0.0 109.979 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 1.5 m 81.77 139.6 0.07 Allowed 'General case' 0 CA--C 1.529 0.165 0 C-N-CA 125.925 1.69 . . . . 0.0 107.896 -160.932 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 77.0 mt-30 -59.18 -33.91 71.5 Favored 'General case' 0 CA--C 1.53 0.204 0 C-N-CA 122.366 0.267 . . . . 0.0 111.628 178.257 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 12.5 p -146.24 157.0 43.78 Favored 'General case' 0 N--CA 1.45 -0.432 0 C-N-CA 124.892 1.277 . . . . 0.0 108.664 -178.315 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 20.8 tt0 -90.59 -40.99 11.61 Favored 'General case' 0 N--CA 1.446 -0.648 0 C-N-CA 125.965 1.706 . . . . 0.0 108.098 171.733 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 13.1 m -162.97 170.29 18.32 Favored 'General case' 0 C--O 1.224 -0.289 0 N-CA-C 108.819 -0.808 . . . . 0.0 108.819 -170.299 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 7.6 p -50.64 -34.14 12.26 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.583 0 O-C-N 121.313 -0.867 . . . . 0.0 112.455 179.739 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 17.6 mtm105 -39.95 -45.12 1.82 Allowed 'General case' 0 N--CA 1.467 0.388 0 C-N-CA 125.627 1.571 . . . . 0.0 113.08 170.432 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 40.3 m-20 -61.74 -55.77 26.71 Favored 'General case' 0 N--CA 1.449 -0.52 0 C-N-CA 124.238 1.015 . . . . 0.0 108.655 178.965 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 10' ' ' CYS . . . . . 0.476 ' HB3' ' CB ' ' A' ' 17' ' ' PRO . 0.1 OUTLIER -59.9 -33.16 71.48 Favored 'General case' 0 C--O 1.218 -0.564 0 C-N-CA 118.898 -1.121 . . . . 0.0 111.809 178.737 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 40.9 mt-30 -59.71 -26.26 65.47 Favored 'General case' 0 CA--C 1.533 0.305 0 CA-C-N 120.147 1.339 . . . . 0.0 111.323 -179.226 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 33.9 mt-30 -78.79 -42.45 27.83 Favored 'General case' 0 CA--C 1.532 0.272 0 N-CA-C 109.43 -0.582 . . . . 0.0 109.43 173.071 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 27.3 t80 -65.15 -40.97 95.1 Favored 'General case' 0 CA--C 1.536 0.433 0 N-CA-C 113.722 1.008 . . . . 0.0 113.722 -177.576 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 14.0 m -136.64 139.73 42.25 Favored 'General case' 0 C--N 1.332 -0.189 0 C-N-CA 127.499 2.32 . . . . 0.0 108.791 -164.929 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -61.66 -47.77 83.85 Favored 'General case' 0 CA--C 1.534 0.34 0 N-CA-C 109.476 -0.565 . . . . 0.0 109.476 175.095 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 24.2 m -125.2 84.45 59.5 Favored Pre-proline 0 C--O 1.24 0.58 0 C-N-CA 123.553 0.741 . . . . 0.0 110.923 -178.958 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 17' ' ' PRO . . . . . 0.558 ' HA ' ' HA ' ' A' ' 27' ' ' CYS . 6.7 Cg_endo -69.22 161.36 46.17 Favored 'Trans proline' 0 N--CA 1.436 -1.899 0 C-N-CA 121.749 1.633 . . . . 0.0 113.045 172.245 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 25.7 t0 -93.84 -62.28 1.38 Allowed 'General case' 0 N--CA 1.45 -0.455 0 C-N-CA 125.205 1.402 . . . . 0.0 107.422 173.976 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 3.9 ptt180 -158.65 154.4 26.39 Favored 'General case' 0 N--CA 1.444 -0.767 0 C-N-CA 123.592 0.757 . . . . 0.0 110.058 -179.655 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 43.6 t -88.13 111.5 21.65 Favored 'General case' 0 C--N 1.332 -0.165 0 N-CA-C 105.528 -2.027 . . . . 0.0 105.528 150.787 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 3.0 m -163.08 153.44 16.21 Favored 'General case' 0 N--CA 1.45 -0.441 0 C-N-CA 123.536 0.734 . . . . 0.0 109.175 -168.965 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 8.9 t80 51.0 37.61 18.21 Favored 'General case' 0 CA--C 1.539 0.538 0 C-N-CA 123.407 0.683 . . . . 0.0 111.46 -179.839 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 53.58 40.38 62.55 Favored Glycine 0 CA--C 1.531 1.069 0 C-N-CA 124.054 0.835 . . . . 0.0 112.84 -175.785 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 17.1 m -152.36 146.84 25.66 Favored 'General case' 0 N--CA 1.455 -0.183 0 N-CA-C 107.803 -1.184 . . . . 0.0 107.803 -179.727 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 25' ' ' CYS . . . . . . . . . . . . 0.267 0.1 OUTLIER -94.75 92.88 7.2 Favored 'General case' 0 CA--C 1.534 0.336 0 CA-C-O 122.903 1.335 . . . . 0.0 108.023 173.209 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 7.6 m-85 -67.64 134.78 51.75 Favored 'General case' 0 N--CA 1.453 -0.314 0 C-N-CA 125.695 1.598 . . . . 0.0 107.641 177.367 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 27' ' ' CYS . . . . . 0.558 ' HA ' ' HA ' ' A' ' 17' ' ' PRO . 26.7 m -110.33 144.67 38.72 Favored 'General case' 0 C--N 1.343 0.311 0 CA-C-N 118.89 0.768 . . . . 0.0 112.188 172.32 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 8.9 tttp -82.1 -56.45 3.93 Favored 'General case' 0 C--N 1.339 0.126 0 CA-C-O 121.088 0.47 . . . . 0.0 109.987 -163.261 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 12.9 t -154.61 30.75 0.42 Allowed 'General case' 0 CA--C 1.533 0.311 0 CA-C-O 121.897 0.856 . . . . 0.0 109.477 177.687 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 32.8 m -76.03 73.21 2.9 Favored 'General case' 0 CA--C 1.535 0.388 0 N-CA-C 108.268 -1.012 . . . . 0.0 108.268 174.255 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 31' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.332 -0.193 0 O-C-N 122.01 -0.431 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 1' ' ' PCA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.416 0 N-CA-C 108.832 -0.803 . . . . 0.0 108.832 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 10.8 m -113.16 -116.32 0.32 Allowed 'General case' 0 CA--C 1.531 0.223 0 N-CA-C 106.477 -1.675 . . . . 0.0 106.477 169.029 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 82.2 mt-30 -53.12 -41.42 65.01 Favored 'General case' 0 CA--C 1.531 0.243 0 CA-C-N 118.527 0.603 . . . . 0.0 110.0 162.714 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 9.0 p -139.83 164.2 30.6 Favored 'General case' 0 N--CA 1.449 -0.486 0 C-N-CA 126.396 1.878 . . . . 0.0 108.729 -174.938 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 24.9 tt0 -101.44 -37.16 8.56 Favored 'General case' 0 N--CA 1.451 -0.398 0 C-N-CA 125.838 1.655 . . . . 0.0 109.452 169.591 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 1.8 p -154.19 172.87 16.91 Favored 'General case' 0 CA--C 1.511 -0.525 0 CA-C-O 122.057 0.932 . . . . 0.0 110.759 179.368 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 9.9 p -51.47 -35.38 16.52 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.691 0 CA-C-N 115.263 -0.88 . . . . 0.0 111.767 -176.65 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 99.2 mtt180 -51.12 -41.19 59.88 Favored 'General case' 0 CA--C 1.533 0.298 0 C-N-CA 125.436 1.495 . . . . 0.0 112.81 176.758 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 35.2 m-20 -56.06 -52.63 63.59 Favored 'General case' 0 N--CA 1.45 -0.452 0 N-CA-C 108.191 -1.04 . . . . 0.0 108.191 173.908 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 10' ' ' CYS . . . . . 0.462 ' HB3' ' CB ' ' A' ' 17' ' ' PRO . 0.1 OUTLIER -62.36 -33.13 74.12 Favored 'General case' 0 C--O 1.216 -0.684 0 C-N-CA 118.709 -1.197 . . . . 0.0 111.75 177.15 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 40.7 mt-30 -59.71 -28.28 67.19 Favored 'General case' 0 CA--C 1.534 0.347 0 CA-C-N 120.34 1.427 . . . . 0.0 110.798 -179.097 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 34.2 mt-30 -73.2 -44.93 58.97 Favored 'General case' 0 CA--C 1.533 0.32 0 O-C-N 122.011 -0.431 . . . . 0.0 110.027 170.719 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 23.1 t80 -64.2 -37.72 88.49 Favored 'General case' 0 CA--C 1.537 0.455 0 N-CA-C 114.023 1.12 . . . . 0.0 114.023 -176.714 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 19.8 m -141.62 138.86 32.87 Favored 'General case' 0 C--N 1.332 -0.182 0 C-N-CA 127.889 2.476 . . . . 0.0 108.075 -164.126 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -63.4 -44.8 93.61 Favored 'General case' 0 CA--C 1.535 0.397 0 N-CA-C 109.903 -0.406 . . . . 0.0 109.903 176.999 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 23.4 m -127.03 79.96 72.21 Favored Pre-proline 0 CA--C 1.536 0.425 0 C-N-CA 123.413 0.685 . . . . 0.0 111.902 -178.979 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 17' ' ' PRO . . . . . 0.505 ' HA ' ' HA ' ' A' ' 27' ' ' CYS . 6.9 Cg_endo -64.0 158.83 45.45 Favored 'Trans proline' 0 N--CA 1.434 -1.992 0 C-N-CA 122.117 1.878 . . . . 0.0 112.448 173.286 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 29.7 t0 -87.37 -61.43 1.72 Allowed 'General case' 0 N--CA 1.446 -0.636 0 N-CA-C 106.227 -1.768 . . . . 0.0 106.227 171.79 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -162.51 153.12 17.02 Favored 'General case' 0 N--CA 1.449 -0.484 0 N-CA-C 109.151 -0.685 . . . . 0.0 109.151 -177.007 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 52.6 t -83.76 111.46 19.19 Favored 'General case' 0 N--CA 1.454 -0.238 0 N-CA-C 105.498 -2.038 . . . . 0.0 105.498 146.359 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 3.1 m -159.56 153.57 23.34 Favored 'General case' 0 N--CA 1.45 -0.472 0 N-CA-C 108.256 -1.016 . . . . 0.0 108.256 -171.977 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 16.3 t80 50.83 37.73 17.9 Favored 'General case' 0 CA--C 1.539 0.538 0 CA-C-O 121.488 0.661 . . . . 0.0 111.487 -178.026 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 51.92 41.75 52.56 Favored Glycine 0 CA--C 1.532 1.103 0 C-N-CA 123.638 0.637 . . . . 0.0 112.238 -174.695 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 4.5 m -152.78 139.63 19.03 Favored 'General case' 0 N--CA 1.453 -0.276 0 O-C-N 121.484 -1.01 . . . . 0.0 108.468 -174.49 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 25' ' ' CYS . . . . . . . . . . . . 0.28 0.0 OUTLIER -92.48 90.75 7.31 Favored 'General case' 0 CA--C 1.535 0.403 0 CA-C-O 122.99 1.376 . . . . 0.0 108.305 176.318 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 66.5 m-85 -72.61 139.79 47.62 Favored 'General case' 0 N--CA 1.452 -0.347 0 C-N-CA 125.931 1.692 . . . . 0.0 108.972 178.852 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 27' ' ' CYS . . . . . 0.505 ' HA ' ' HA ' ' A' ' 17' ' ' PRO . 20.6 m -126.55 149.37 49.45 Favored 'General case' 0 C--N 1.344 0.341 0 C-N-CA 123.748 0.819 . . . . 0.0 112.501 177.596 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 85.7 mttt -81.71 40.12 0.58 Allowed 'General case' 0 CA--C 1.536 0.419 0 CA-C-O 120.924 0.392 . . . . 0.0 110.557 -179.695 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 11.3 p -81.3 69.82 8.01 Favored 'General case' 0 N--CA 1.45 -0.437 0 N-CA-C 108.394 -0.965 . . . . 0.0 108.394 -176.568 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 30' ' ' THR . . . . . 0.596 ' HG1' ' N ' ' A' ' 31' ' ' NH2 . 8.8 t -164.17 -171.28 2.36 Favored 'General case' 0 N--CA 1.453 -0.305 0 C-N-CA 124.802 1.241 . . . . 0.0 108.1 179.111 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 31' ' ' NH2 . . . . . 0.596 ' N ' ' HG1' ' A' ' 30' ' ' THR . . . . . . . . 0 C--N 1.328 -0.344 0 O-C-N 122.299 -0.251 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 1' ' ' PCA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.533 0.312 0 N-CA-C 110.031 -0.359 . . . . 0.0 110.031 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 26.8 p -144.14 103.56 4.02 Favored 'General case' 0 N--CA 1.453 -0.275 0 C-N-CA 123.82 0.848 . . . . 0.0 109.081 -173.308 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 86.6 mt-30 -57.85 -37.55 74.1 Favored 'General case' 0 CA--C 1.529 0.135 0 CA-C-O 121.098 0.475 . . . . 0.0 109.926 163.072 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 4' ' ' CYS . . . . . 0.471 ' HB2' ' HB2' ' A' ' 9' ' ' ASP . 19.2 p -139.5 153.89 47.59 Favored 'General case' 0 N--CA 1.448 -0.568 0 C-N-CA 125.649 1.58 . . . . 0.0 109.156 -172.837 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 76.5 mt-30 -98.77 -31.67 11.76 Favored 'General case' 0 N--CA 1.449 -0.485 0 C-N-CA 125.404 1.482 . . . . 0.0 109.118 171.717 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 1.9 p -157.69 174.52 15.21 Favored 'General case' 0 CA--C 1.509 -0.616 0 CA-C-O 122.172 0.987 . . . . 0.0 110.435 179.085 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 9.3 p -51.55 -35.13 16.51 Favored 'Isoleucine or valine' 0 N--CA 1.443 -0.805 0 CA-C-N 114.881 -1.054 . . . . 0.0 111.422 -179.173 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 99.5 mtt180 -42.06 -50.16 4.7 Favored 'General case' 0 CA--C 1.534 0.343 0 C-N-CA 126.121 1.769 . . . . 0.0 112.574 172.256 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 9' ' ' ASP . . . . . 0.471 ' HB2' ' HB2' ' A' ' 4' ' ' CYS . 33.1 m-20 -58.27 -51.32 70.28 Favored 'General case' 0 N--CA 1.447 -0.621 0 C-N-CA 124.092 0.957 . . . . 0.0 108.493 -179.692 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 10' ' ' CYS . . . . . 0.492 ' SG ' ' HB3' ' A' ' 17' ' ' PRO . 0.3 OUTLIER -60.67 -38.7 85.79 Favored 'General case' 0 C--O 1.22 -0.478 0 C-N-CA 118.604 -1.239 . . . . 0.0 111.087 176.015 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 41.3 mt-30 -58.1 -38.39 76.34 Favored 'General case' 0 N--CA 1.463 0.184 0 CA-C-N 119.663 1.12 . . . . 0.0 110.004 -179.074 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -60.08 -43.24 95.63 Favored 'General case' 0 CA--C 1.534 0.352 0 O-C-N 121.96 -0.462 . . . . 0.0 110.638 172.877 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 26.0 m-85 -80.14 -22.13 42.39 Favored 'General case' 0 CA--C 1.543 0.71 0 N-CA-C 114.782 1.401 . . . . 0.0 114.782 -176.695 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 24.4 m -150.06 135.85 18.48 Favored 'General case' 0 N--CA 1.463 0.199 0 C-N-CA 125.486 1.514 . . . . 0.0 109.205 -165.436 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 4.0 mm? -63.36 -42.03 98.87 Favored 'General case' 0 CA--C 1.533 0.307 0 CA-C-O 119.563 -0.256 . . . . 0.0 110.749 177.372 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 19.1 m -128.53 78.77 75.33 Favored Pre-proline 0 CA--C 1.535 0.403 0 C-N-CA 123.091 0.556 . . . . 0.0 111.91 -177.64 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 17' ' ' PRO . . . . . 0.492 ' HB3' ' SG ' ' A' ' 10' ' ' CYS . 1.5 Cg_endo -64.46 153.22 78.2 Favored 'Trans proline' 0 N--CA 1.433 -2.041 0 C-N-CA 120.849 1.032 . . . . 0.0 113.372 176.619 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 30.7 t0 -78.69 -60.67 2.28 Favored 'General case' 0 N--CA 1.447 -0.58 0 N-CA-C 106.314 -1.735 . . . . 0.0 106.314 169.526 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 1.2 ptt85 -162.21 160.75 27.39 Favored 'General case' 0 N--CA 1.451 -0.382 0 N-CA-C 108.553 -0.906 . . . . 0.0 108.553 -177.756 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 43.3 t -89.0 118.15 28.52 Favored 'General case' 0 N--CA 1.454 -0.263 0 N-CA-C 105.25 -2.13 . . . . 0.0 105.25 143.453 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 2.1 m -158.64 144.99 17.08 Favored 'General case' 0 N--CA 1.45 -0.451 0 CA-C-N 118.837 0.744 . . . . 0.0 108.998 -171.601 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 94.8 m-85 49.29 43.77 23.15 Favored 'General case' 0 CA--C 1.537 0.452 0 C-N-CA 123.501 0.72 . . . . 0.0 111.309 -173.857 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 53.95 22.46 19.94 Favored Glycine 0 CA--C 1.532 1.142 0 C-N-CA 123.97 0.795 . . . . 0.0 113.538 -177.991 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 60.9 m -128.08 136.47 51.25 Favored 'General case' 0 N--CA 1.451 -0.415 0 C-N-CA 126.154 1.782 . . . . 0.0 107.035 -173.592 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -88.31 116.5 26.56 Favored 'General case' 0 CA--C 1.534 0.339 0 N-CA-C 107.033 -1.469 . . . . 0.0 107.033 170.758 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 48.9 m-85 -103.05 138.49 39.83 Favored 'General case' 0 N--CA 1.452 -0.355 0 C-N-CA 126.938 2.095 . . . . 0.0 107.321 -177.98 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 27' ' ' CYS . . . . . 0.474 ' HA ' ' HA ' ' A' ' 17' ' ' PRO . 27.3 m -122.84 139.23 54.24 Favored 'General case' 0 C--N 1.343 0.293 0 CA-C-N 118.851 0.75 . . . . 0.0 112.649 -178.478 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 9.9 mmtp -76.67 69.33 3.05 Favored 'General case' 0 N--CA 1.455 -0.195 0 N-CA-C 107.18 -1.415 . . . . 0.0 107.18 171.957 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 7.2 m -153.27 58.62 0.77 Allowed 'General case' 0 N--CA 1.454 -0.229 0 N-CA-C 107.532 -1.285 . . . . 0.0 107.532 -176.765 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 1.3 m -72.27 63.63 0.54 Allowed 'General case' 0 CA--C 1.536 0.412 0 C-N-CA 125.779 1.632 . . . . 0.0 112.133 -170.169 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 31' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.332 -0.181 0 O-C-N 121.23 -0.919 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 1' ' ' PCA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.533 0.309 0 N-CA-C 110.142 -0.318 . . . . 0.0 110.142 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 7.6 m -113.28 -118.7 0.31 Allowed 'General case' 0 CA--C 1.529 0.137 0 N-CA-C 107.722 -1.214 . . . . 0.0 107.722 -178.807 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 81.3 mt-30 -57.94 -32.43 67.8 Favored 'General case' 0 CA--C 1.531 0.238 0 CA-C-N 119.149 0.886 . . . . 0.0 109.994 163.604 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 9.5 p -154.81 170.11 22.39 Favored 'General case' 0 N--CA 1.445 -0.694 0 C-N-CA 126.46 1.904 . . . . 0.0 107.556 -174.8 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 6.8 tt0 -107.26 -34.92 6.96 Favored 'General case' 0 N--CA 1.451 -0.391 0 C-N-CA 127.098 2.159 . . . . 0.0 109.81 169.333 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 25.3 m -157.48 161.13 38.86 Favored 'General case' 0 C--O 1.224 -0.269 0 O-C-N 121.476 -0.765 . . . . 0.0 109.397 -175.491 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 9.2 p -52.24 -33.3 16.85 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.558 0 O-C-N 121.204 -0.935 . . . . 0.0 112.528 -174.447 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -27.18 -51.31 0.06 Allowed 'General case' 0 CA--C 1.536 0.424 0 C-N-CA 127.932 2.493 . . . . 0.0 112.912 162.197 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 69.3 m-20 -71.85 -49.97 33.64 Favored 'General case' 0 N--CA 1.445 -0.691 0 C-N-CA 126.85 2.06 . . . . 0.0 108.962 -173.744 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 10' ' ' CYS . . . . . 0.464 ' HB3' ' CB ' ' A' ' 17' ' ' PRO . 0.2 OUTLIER -58.7 -31.19 68.02 Favored 'General case' 0 C--O 1.219 -0.539 0 C-N-CA 118.156 -1.417 . . . . 0.0 110.781 173.667 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 41.4 mt-30 -63.54 -15.36 57.76 Favored 'General case' 0 CA--C 1.54 0.572 0 CA-C-N 120.34 1.427 . . . . 0.0 112.05 179.87 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 33.9 mt-30 -80.14 -49.1 12.17 Favored 'General case' 0 C--N 1.342 0.28 0 CA-C-N 119.233 0.924 . . . . 0.0 110.007 162.776 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 23.7 t80 -62.42 -37.8 87.23 Favored 'General case' 0 CA--C 1.538 0.493 0 N-CA-C 113.783 1.031 . . . . 0.0 113.783 -170.249 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 16.8 m -136.52 143.83 43.94 Favored 'General case' 0 C--N 1.331 -0.209 0 C-N-CA 127.653 2.381 . . . . 0.0 108.303 -168.341 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -63.16 -47.89 80.73 Favored 'General case' 0 CA--C 1.535 0.372 0 N-CA-C 109.186 -0.672 . . . . 0.0 109.186 174.677 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 6.8 m -126.93 78.13 74.21 Favored Pre-proline 0 CA--C 1.533 0.321 0 C-N-CA 123.412 0.685 . . . . 0.0 111.691 -175.728 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 17' ' ' PRO . . . . . 0.48 ' HA ' ' HA ' ' A' ' 27' ' ' CYS . 5.3 Cg_endo -64.81 158.95 48.09 Favored 'Trans proline' 0 N--CA 1.434 -1.975 0 C-N-CA 121.667 1.578 . . . . 0.0 112.821 176.244 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 28.5 t0 -89.32 -61.89 1.6 Allowed 'General case' 0 N--CA 1.447 -0.586 0 N-CA-C 106.13 -1.804 . . . . 0.0 106.13 172.445 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 1.3 ptt85 -163.44 152.93 14.88 Favored 'General case' 0 N--CA 1.45 -0.463 0 N-CA-C 108.77 -0.826 . . . . 0.0 108.77 -177.862 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 45.3 t -80.78 110.93 16.76 Favored 'General case' 0 N--CA 1.454 -0.268 0 N-CA-C 105.657 -1.979 . . . . 0.0 105.657 147.12 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 2.8 m -158.51 145.5 17.6 Favored 'General case' 0 N--CA 1.448 -0.547 0 N-CA-C 108.323 -0.991 . . . . 0.0 108.323 -173.261 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 23.5 t80 54.77 40.23 31.82 Favored 'General case' 0 CA--C 1.539 0.524 0 CA-C-O 121.349 0.595 . . . . 0.0 110.948 -178.849 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 59.73 10.93 14.4 Favored Glycine 0 CA--C 1.537 1.458 0 C-N-CA 124.364 0.983 . . . . 0.0 114.294 -177.231 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 39.7 m -120.81 134.91 55.28 Favored 'General case' 0 N--CA 1.45 -0.452 0 C-N-CA 126.194 1.798 . . . . 0.0 107.572 -170.876 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 25' ' ' CYS . . . . . . . . . . . . 0.296 0.1 OUTLIER -88.68 85.37 6.78 Favored 'General case' 0 CA--C 1.534 0.358 0 CA-C-O 123.165 1.459 . . . . 0.0 107.313 171.402 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 58.2 m-85 -65.21 141.31 58.69 Favored 'General case' 0 N--CA 1.454 -0.246 0 C-N-CA 125.614 1.565 . . . . 0.0 108.637 179.388 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 27' ' ' CYS . . . . . 0.48 ' HA ' ' HA ' ' A' ' 17' ' ' PRO . 28.2 m -128.43 137.1 51.69 Favored 'General case' 0 C--N 1.345 0.371 0 N-CA-C 113.517 0.932 . . . . 0.0 113.517 -179.659 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 10.2 mmtp -69.93 -7.62 42.01 Favored 'General case' 0 CA--C 1.532 0.286 0 C-N-CA 123.183 0.593 . . . . 0.0 111.701 179.277 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 3.3 p -62.47 -13.52 31.13 Favored 'General case' 0 N--CA 1.452 -0.33 0 C-N-CA 123.38 0.672 . . . . 0.0 112.767 165.683 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 15.9 m -70.06 70.36 0.36 Allowed 'General case' 0 CA--C 1.536 0.41 0 C-N-CA 123.736 0.814 . . . . 0.0 109.328 169.704 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 31' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.331 -0.205 0 O-C-N 121.566 -0.709 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 1' ' ' PCA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.327 0 N-CA-C 108.008 -1.108 . . . . 0.0 108.008 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 24.8 p -153.23 142.55 21.58 Favored 'General case' 0 N--CA 1.444 -0.755 0 N-CA-C 104.714 -2.328 . . . . 0.0 104.714 179.791 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 87.4 mt-30 -64.23 -44.3 92.29 Favored 'General case' 0 C--N 1.327 -0.401 0 C-N-CA 123.535 0.734 . . . . 0.0 109.946 169.906 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 6.6 p -131.03 142.78 50.35 Favored 'General case' 0 CA--C 1.514 -0.419 0 C-N-CA 125.201 1.4 . . . . 0.0 109.892 -169.781 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 31.9 mt-30 -75.95 -32.44 59.55 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.056 -0.974 . . . . 0.0 110.041 175.8 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 4.4 m -173.9 170.68 3.84 Favored 'General case' 0 N--CA 1.457 -0.11 0 C-N-CA 126.287 1.835 . . . . 0.0 106.721 -173.308 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 8.5 p -48.57 -37.92 8.81 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.373 0 C-N-CA 123.744 0.818 . . . . 0.0 112.382 -177.476 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 2.1 mpt_? -43.76 -44.32 6.61 Favored 'General case' 0 CA--C 1.533 0.289 0 C-N-CA 124.761 1.224 . . . . 0.0 112.112 173.66 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -64.19 -45.55 87.85 Favored 'General case' 0 N--CA 1.45 -0.437 0 O-C-N 121.835 -0.541 . . . . 0.0 109.84 -179.663 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 10' ' ' CYS . . . . . 0.453 ' SG ' ' HB3' ' A' ' 17' ' ' PRO . 0.5 OUTLIER -60.73 -35.18 75.71 Favored 'General case' 0 C--O 1.219 -0.517 0 C-N-CA 117.745 -1.582 . . . . 0.0 110.64 172.049 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 40.8 mt-30 -60.17 -35.01 74.39 Favored 'General case' 0 CA--C 1.534 0.334 0 CA-C-N 120.016 1.28 . . . . 0.0 110.35 178.72 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 31.5 mt-30 -57.61 -44.84 85.77 Favored 'General case' 0 CA--C 1.537 0.448 0 O-C-N 121.797 -0.564 . . . . 0.0 110.017 169.325 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 2.8 t80 -73.98 -33.2 63.75 Favored 'General case' 0 CA--C 1.54 0.563 0 C-N-CA 124.857 1.263 . . . . 0.0 114.121 -173.382 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 23.2 m -147.75 139.43 23.91 Favored 'General case' 0 C--O 1.225 -0.196 0 C-N-CA 126.001 1.72 . . . . 0.0 109.178 -159.716 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -59.66 -49.58 77.2 Favored 'General case' 0 CA--C 1.535 0.391 0 N-CA-C 109.771 -0.455 . . . . 0.0 109.771 176.251 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 5.7 m -128.75 77.48 77.53 Favored Pre-proline 0 CA--C 1.534 0.363 0 C-N-CA 123.271 0.628 . . . . 0.0 112.057 -174.498 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 17' ' ' PRO . . . . . 0.461 ' HA ' ' HA ' ' A' ' 27' ' ' CYS . 1.0 OUTLIER -62.56 147.84 94.22 Favored 'Trans proline' 0 N--CA 1.436 -1.854 0 C-N-CA 121.884 1.723 . . . . 0.0 112.353 176.651 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 25.1 t0 -71.79 -57.91 3.93 Favored 'General case' 0 N--CA 1.449 -0.494 0 N-CA-C 106.505 -1.665 . . . . 0.0 106.505 169.493 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -161.96 162.0 28.84 Favored 'General case' 0 N--CA 1.452 -0.36 0 N-CA-C 109.15 -0.685 . . . . 0.0 109.15 -177.368 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 54.0 t -92.99 120.05 32.89 Favored 'General case' 0 N--CA 1.456 -0.171 0 N-CA-C 104.886 -2.265 . . . . 0.0 104.886 141.589 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 2.2 m -161.12 143.81 12.53 Favored 'General case' 0 N--CA 1.451 -0.396 0 N-CA-C 108.271 -1.011 . . . . 0.0 108.271 -170.439 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 48.4 t80 51.17 43.09 29.33 Favored 'General case' 0 CA--C 1.538 0.502 0 CA-C-O 121.476 0.655 . . . . 0.0 110.921 -175.875 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 54.24 21.78 19.98 Favored Glycine 0 CA--C 1.534 1.23 0 C-N-CA 124.152 0.882 . . . . 0.0 113.85 -177.731 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 63.8 m -128.39 136.4 50.84 Favored 'General case' 0 N--CA 1.452 -0.357 0 C-N-CA 125.962 1.705 . . . . 0.0 107.133 -172.737 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -92.21 117.43 29.87 Favored 'General case' 0 CA--C 1.53 0.194 0 N-CA-C 107.151 -1.426 . . . . 0.0 107.151 172.86 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 50.5 m-85 -109.13 138.86 44.82 Favored 'General case' 0 N--CA 1.452 -0.338 0 C-N-CA 127.016 2.126 . . . . 0.0 107.583 -172.914 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 27' ' ' CYS . . . . . 0.461 ' HA ' ' HA ' ' A' ' 17' ' ' PRO . 22.3 m -128.78 145.34 51.21 Favored 'General case' 0 C--N 1.343 0.286 0 C-N-CA 123.731 0.813 . . . . 0.0 112.333 -176.566 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 2.9 mmpt? -73.82 56.66 0.57 Allowed 'General case' 0 CA--C 1.535 0.366 0 C-N-CA 126.067 1.747 . . . . 0.0 110.758 -175.724 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 2.6 p -83.36 45.83 1.08 Allowed 'General case' 0 N--CA 1.45 -0.454 0 C-N-CA 126.328 1.851 . . . . 0.0 110.013 -173.661 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 4.7 m -79.9 63.74 4.53 Favored 'General case' 0 CA--C 1.533 0.327 0 C-N-CA 124.172 0.989 . . . . 0.0 110.197 -172.175 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 31' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.331 -0.22 0 O-C-N 121.813 -0.555 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 1' ' ' PCA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.404 0 N-CA-C 110.203 -0.295 . . . . 0.0 110.203 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 25.3 m -103.21 -113.63 0.22 Allowed 'General case' 0 CA--C 1.528 0.105 0 N-CA-C 106.709 -1.589 . . . . 0.0 106.709 167.091 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 80.4 mt-30 -58.21 -40.77 82.46 Favored 'General case' 0 CA--C 1.529 0.16 0 CA-C-N 118.949 0.795 . . . . 0.0 109.32 162.992 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 4.6 p -132.72 154.44 50.19 Favored 'General case' 0 N--CA 1.448 -0.541 0 C-N-CA 126.198 1.799 . . . . 0.0 109.73 -173.664 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 7.4 tt0 -79.26 -42.78 25.09 Favored 'General case' 0 CA--C 1.532 0.271 0 C-N-CA 124.976 1.31 . . . . 0.0 110.323 165.717 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 20.7 m -166.61 175.11 8.2 Favored 'General case' 0 CA--C 1.53 0.209 0 C-N-CA 126.023 1.729 . . . . 0.0 107.147 -173.523 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 8.5 p -54.84 -35.83 35.14 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.498 0 CA-C-N 118.998 0.817 . . . . 0.0 112.312 -177.274 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 3.7 mpt_? -51.51 -34.79 37.63 Favored 'General case' 0 CA--C 1.533 0.306 0 C-N-CA 123.842 0.857 . . . . 0.0 112.025 172.876 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -63.37 -53.57 50.35 Favored 'General case' 0 N--CA 1.453 -0.284 0 N-CA-C 108.384 -0.969 . . . . 0.0 108.384 173.987 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 10' ' ' CYS . . . . . 0.486 ' SG ' ' HB3' ' A' ' 17' ' ' PRO . 0.5 OUTLIER -55.67 -33.28 63.97 Favored 'General case' 0 C--O 1.221 -0.431 0 C-N-CA 117.924 -1.511 . . . . 0.0 111.478 178.455 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 38.1 mt-30 -56.38 -31.48 63.88 Favored 'General case' 0 CA--C 1.539 0.547 0 CA-C-N 119.189 0.904 . . . . 0.0 112.133 178.778 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 11.2 pt20 -79.04 -34.72 43.58 Favored 'General case' 0 N--CA 1.445 -0.719 0 CA-C-N 120.046 1.294 . . . . 0.0 111.249 172.318 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 77.5 m-85 -69.58 -30.69 68.53 Favored 'General case' 0 CA--C 1.543 0.681 0 N-CA-C 113.816 1.043 . . . . 0.0 113.816 176.76 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 18.4 m -147.46 138.34 23.53 Favored 'General case' 0 N--CA 1.463 0.176 0 C-N-CA 125.197 1.399 . . . . 0.0 109.607 -161.383 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 5.6 mp -69.72 -23.96 63.49 Favored 'General case' 0 CA--C 1.533 0.326 0 C-N-CA 122.753 0.421 . . . . 0.0 111.958 177.815 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 11.7 m -148.09 75.83 10.57 Favored Pre-proline 0 C--O 1.236 0.35 0 O-C-N 121.242 -0.911 . . . . 0.0 111.482 178.353 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 17' ' ' PRO . . . . . 0.486 ' HB3' ' SG ' ' A' ' 10' ' ' CYS . 4.8 Cg_endo -64.06 153.15 77.73 Favored 'Trans proline' 0 N--CA 1.432 -2.116 0 C-N-CA 122.148 1.899 . . . . 0.0 112.17 177.082 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 28.8 t0 -83.08 -61.45 1.85 Allowed 'General case' 0 N--CA 1.445 -0.709 0 N-CA-C 106.677 -1.601 . . . . 0.0 106.677 169.946 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 1.4 ptt85 -163.06 153.1 15.89 Favored 'General case' 0 N--CA 1.45 -0.472 0 N-CA-C 109.272 -0.64 . . . . 0.0 109.272 -176.867 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 43.2 t -81.29 109.46 15.82 Favored 'General case' 0 N--CA 1.453 -0.282 0 N-CA-C 105.591 -2.003 . . . . 0.0 105.591 147.335 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 2.8 m -155.75 141.93 18.36 Favored 'General case' 0 N--CA 1.447 -0.586 0 N-CA-C 108.894 -0.78 . . . . 0.0 108.894 -172.975 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 16.7 t80 52.04 43.13 30.66 Favored 'General case' 0 CA--C 1.538 0.516 0 CA-C-O 121.549 0.69 . . . . 0.0 110.787 -175.428 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 59.5 9.62 9.52 Favored Glycine 0 CA--C 1.536 1.356 0 C-N-CA 124.465 1.031 . . . . 0.0 114.483 -178.005 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 33.3 m -116.36 132.14 56.75 Favored 'General case' 0 N--CA 1.448 -0.534 0 C-N-CA 126.031 1.732 . . . . 0.0 107.322 -172.316 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 25' ' ' CYS . . . . . . . . . . . . 0.282 0.0 OUTLIER -87.16 85.49 7.21 Favored 'General case' 0 CA--C 1.533 0.313 0 CA-C-O 123.245 1.498 . . . . 0.0 107.107 172.506 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 56.2 m-85 -64.84 136.63 57.09 Favored 'General case' 0 N--CA 1.451 -0.401 0 C-N-CA 125.124 1.37 . . . . 0.0 108.652 178.48 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 27' ' ' CYS . . . . . 0.475 ' HA ' ' HA ' ' A' ' 17' ' ' PRO . 11.6 m -129.39 146.06 51.31 Favored 'General case' 0 CA--C 1.518 -0.286 0 C-N-CA 124.361 1.064 . . . . 0.0 110.476 175.887 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 91.4 mttt -80.42 48.19 1.01 Allowed 'General case' 0 CA--C 1.534 0.332 0 CA-C-O 121.041 0.448 . . . . 0.0 111.072 -176.636 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 13.2 t -83.79 57.98 4.4 Favored 'General case' 0 CA--C 1.535 0.395 0 N-CA-C 108.384 -0.969 . . . . 0.0 108.384 177.034 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 30' ' ' THR . . . . . 0.661 ' HG1' ' N ' ' A' ' 31' ' ' NH2 . 10.1 t -170.83 -172.47 1.17 Allowed 'General case' 0 CA--C 1.532 0.255 0 C-N-CA 124.766 1.227 . . . . 0.0 107.724 -175.714 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 31' ' ' NH2 . . . . . 0.661 ' N ' ' HG1' ' A' ' 30' ' ' THR . . . . . . . . 0 C--N 1.33 -0.278 0 O-C-N 122.141 -0.35 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 1' ' ' PCA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.29 0 CA-C-O 119.775 -0.155 . . . . 0.0 111.359 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 2.4 m -110.49 -133.05 0.33 Allowed 'General case' 0 CA--C 1.533 0.3 0 N-CA-C 107.023 -1.473 . . . . 0.0 107.023 175.153 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 79.4 mt-30 -66.14 -34.62 78.47 Favored 'General case' 0 N--CA 1.463 0.175 0 CA-C-N 120.123 1.329 . . . . 0.0 110.264 171.093 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 23.4 p -157.18 167.01 31.63 Favored 'General case' 0 N--CA 1.449 -0.487 0 C-N-CA 124.776 1.23 . . . . 0.0 108.684 -172.502 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 38.8 mt-30 -115.01 -26.59 7.67 Favored 'General case' 0 N--CA 1.451 -0.376 0 C-N-CA 126.051 1.74 . . . . 0.0 110.983 169.694 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 14.2 m -160.64 156.42 25.55 Favored 'General case' 0 C--O 1.224 -0.239 0 CA-C-N 119.522 1.055 . . . . 0.0 108.684 -175.748 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 8.5 p -46.18 -37.86 3.02 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.419 0 N-CA-C 113.639 0.977 . . . . 0.0 113.639 -171.512 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 94.6 mtt-85 -45.14 -43.34 9.8 Favored 'General case' 0 CA--C 1.533 0.32 0 C-N-CA 125.049 1.339 . . . . 0.0 113.105 175.232 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 69.2 m-20 -54.25 -53.88 47.69 Favored 'General case' 0 N--CA 1.447 -0.608 0 C-N-CA 124.213 1.005 . . . . 0.0 108.449 175.545 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 10' ' ' CYS . . . . . 0.486 ' HB3' ' CB ' ' A' ' 17' ' ' PRO . 0.5 OUTLIER -64.32 -32.9 74.68 Favored 'General case' 0 C--O 1.216 -0.66 0 C-N-CA 118.629 -1.228 . . . . 0.0 111.66 176.563 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 43.7 mt-30 -59.13 -33.52 70.97 Favored 'General case' 0 N--CA 1.465 0.313 0 CA-C-N 120.705 1.593 . . . . 0.0 110.204 -179.785 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -65.87 -42.66 90.06 Favored 'General case' 0 CA--C 1.536 0.405 0 O-C-N 121.988 -0.445 . . . . 0.0 110.289 170.459 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 7.1 t80 -71.41 -35.21 70.91 Favored 'General case' 0 CA--C 1.542 0.652 0 N-CA-C 114.921 1.452 . . . . 0.0 114.921 -174.494 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 6.6 m -143.61 146.48 33.32 Favored 'General case' 0 N--CA 1.465 0.321 0 C-N-CA 126.718 2.007 . . . . 0.0 109.761 -161.236 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -64.1 -54.0 40.83 Favored 'General case' 0 CA--C 1.533 0.32 0 N-CA-C 109.878 -0.416 . . . . 0.0 109.878 178.885 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 20.2 m -127.41 82.98 67.23 Favored Pre-proline 0 C--N 1.342 0.251 0 CA-C-N 117.944 0.338 . . . . 0.0 110.842 179.803 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 17' ' ' PRO . . . . . 0.486 ' CB ' ' HB3' ' A' ' 10' ' ' CYS . 2.2 Cg_endo -60.93 143.03 99.26 Favored 'Trans proline' 0 N--CA 1.434 -1.998 0 C-N-CA 121.372 1.382 . . . . 0.0 112.462 175.949 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 18' ' ' ASP . . . . . 0.424 ' H ' ' HA ' ' A' ' 27' ' ' CYS . 22.7 t0 -70.27 -58.64 3.54 Favored 'General case' 0 N--CA 1.449 -0.5 0 N-CA-C 106.358 -1.719 . . . . 0.0 106.358 170.286 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -163.84 154.69 15.85 Favored 'General case' 0 N--CA 1.45 -0.475 0 N-CA-C 108.867 -0.79 . . . . 0.0 108.867 -177.193 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 51.0 t -83.0 116.37 22.24 Favored 'General case' 0 N--CA 1.454 -0.26 0 N-CA-C 105.58 -2.007 . . . . 0.0 105.58 143.774 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 2.2 m -160.35 144.18 13.96 Favored 'General case' 0 N--CA 1.45 -0.466 0 N-CA-C 107.73 -1.211 . . . . 0.0 107.73 -174.054 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 29.9 t80 55.76 36.87 28.08 Favored 'General case' 0 CA--C 1.539 0.557 0 CA-C-N 118.481 0.582 . . . . 0.0 110.854 -176.125 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 54.38 19.42 12.56 Favored Glycine 0 CA--C 1.535 1.298 0 C-N-CA 124.467 1.032 . . . . 0.0 113.759 -175.159 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 60.8 m -122.23 134.75 54.69 Favored 'General case' 0 N--CA 1.45 -0.472 0 C-N-CA 126.817 2.047 . . . . 0.0 106.709 -173.456 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 25' ' ' CYS . . . . . . . . . . . . 0.256 0.0 OUTLIER -92.78 91.78 7.64 Favored 'General case' 0 CA--C 1.535 0.392 0 N-CA-C 107.351 -1.351 . . . . 0.0 107.351 176.625 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 52.0 m-85 -78.47 140.54 38.61 Favored 'General case' 0 N--CA 1.454 -0.255 0 C-N-CA 126.003 1.721 . . . . 0.0 108.843 -177.289 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 27' ' ' CYS . . . . . 0.467 ' HA ' ' HA ' ' A' ' 17' ' ' PRO . 33.7 m -127.17 126.52 42.99 Favored 'General case' 0 C--N 1.346 0.415 0 N-CA-C 115.342 1.608 . . . . 0.0 115.342 -173.557 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 19.3 mmtp -81.72 59.69 4.32 Favored 'General case' 0 CA--C 1.532 0.269 0 N-CA-C 106.657 -1.609 . . . . 0.0 106.657 162.794 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 17.7 m -150.04 56.1 0.95 Allowed 'General case' 0 CA--C 1.53 0.192 0 N-CA-C 107.404 -1.332 . . . . 0.0 107.404 -179.302 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 30' ' ' THR . . . . . 0.532 ' HG1' ' N ' ' A' ' 31' ' ' NH2 . 12.6 p -92.4 -67.96 0.83 Allowed 'General case' 0 N--CA 1.451 -0.381 0 C-N-CA 125.113 1.365 . . . . 0.0 108.733 179.928 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 31' ' ' NH2 . . . . . 0.532 ' N ' ' HG1' ' A' ' 30' ' ' THR . . . . . . . . 0 C--N 1.332 -0.16 0 CA-C-N 116.278 -0.419 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 1' ' ' PCA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 0.243 0 CA-C-O 119.701 -0.19 . . . . 0.0 110.688 . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 1.7 m 81.62 143.3 0.07 Allowed 'General case' 0 CA--C 1.532 0.251 0 C-N-CA 126.088 1.755 . . . . 0.0 107.203 -161.844 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 74.0 mt-30 -52.97 -41.24 64.37 Favored 'General case' 0 N--CA 1.464 0.268 0 CA-C-O 121.379 0.609 . . . . 0.0 110.625 175.087 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 4' ' ' CYS . . . . . 0.43 ' HB2' ' HB2' ' A' ' 9' ' ' ASP . 25.2 p -149.94 158.5 44.23 Favored 'General case' 0 N--CA 1.444 -0.763 0 C-N-CA 125.639 1.576 . . . . 0.0 107.519 -176.676 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 77.0 mt-30 -121.83 -5.57 9.1 Favored 'General case' 0 C--N 1.325 -0.478 0 C-N-CA 124.732 1.213 . . . . 0.0 110.86 173.286 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 12.8 m -162.86 156.54 20.22 Favored 'General case' 0 C--O 1.224 -0.277 0 N-CA-C 107.819 -1.178 . . . . 0.0 107.819 176.818 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 10.9 p -52.22 -29.74 12.63 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.661 0 O-C-N 121.029 -1.044 . . . . 0.0 112.025 175.904 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 99.2 mtt180 -38.07 -53.5 1.39 Allowed 'General case' 0 CA--C 1.534 0.335 0 C-N-CA 125.873 1.669 . . . . 0.0 112.159 167.013 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 9' ' ' ASP . . . . . 0.43 ' HB2' ' HB2' ' A' ' 4' ' ' CYS . 48.3 m-20 -57.39 -57.15 13.91 Favored 'General case' 0 N--CA 1.448 -0.562 0 C-N-CA 124.983 1.313 . . . . 0.0 108.686 -177.712 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 10' ' ' CYS . . . . . 0.471 ' SG ' ' HB3' ' A' ' 17' ' ' PRO . 0.5 OUTLIER -59.63 -34.9 73.38 Favored 'General case' 0 C--O 1.219 -0.522 0 C-N-CA 118.66 -1.216 . . . . 0.0 111.337 -179.644 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 69.3 mt-30 -60.8 -22.64 64.35 Favored 'General case' 0 CA--C 1.535 0.402 0 CA-C-N 119.486 1.039 . . . . 0.0 111.392 -179.206 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 31.3 mt-30 -78.1 -44.72 25.36 Favored 'General case' 0 CA--C 1.532 0.267 0 CA-C-N 118.492 0.587 . . . . 0.0 110.158 169.196 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 53.4 m-85 -73.27 -20.76 60.76 Favored 'General case' 0 CA--C 1.542 0.639 0 N-CA-C 114.374 1.25 . . . . 0.0 114.374 -176.045 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 19.7 m -149.94 140.09 22.13 Favored 'General case' 0 C--O 1.226 -0.177 0 C-N-CA 125.732 1.613 . . . . 0.0 108.301 -168.792 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -64.09 -47.97 77.99 Favored 'General case' 0 CA--C 1.533 0.319 0 N-CA-C 109.662 -0.496 . . . . 0.0 109.662 177.591 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 20.4 m -126.61 79.93 70.75 Favored Pre-proline 0 CA--C 1.536 0.406 0 C-N-CA 123.363 0.665 . . . . 0.0 111.736 -178.653 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 17' ' ' PRO . . . . . 0.487 ' HA ' ' HA ' ' A' ' 27' ' ' CYS . 4.1 Cg_endo -62.35 150.78 85.94 Favored 'Trans proline' 0 N--CA 1.434 -2.025 0 C-N-CA 122.194 1.929 . . . . 0.0 112.639 174.495 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 18' ' ' ASP . . . . . 0.402 ' H ' ' HA ' ' A' ' 27' ' ' CYS . 24.2 t0 -79.34 -58.42 3.22 Favored 'General case' 0 N--CA 1.444 -0.737 0 N-CA-C 106.6 -1.629 . . . . 0.0 106.6 172.35 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -163.76 153.96 15.27 Favored 'General case' 0 N--CA 1.447 -0.622 0 N-CA-C 108.469 -0.937 . . . . 0.0 108.469 -178.237 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 52.9 t -84.64 112.33 20.36 Favored 'General case' 0 N--CA 1.452 -0.37 0 N-CA-C 105.449 -2.056 . . . . 0.0 105.449 146.363 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 2.9 m -160.28 147.76 16.26 Favored 'General case' 0 N--CA 1.452 -0.336 0 N-CA-C 108.65 -0.87 . . . . 0.0 108.65 -171.547 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 42.4 t80 52.68 39.96 29.39 Favored 'General case' 0 CA--C 1.538 0.51 0 CA-C-O 121.518 0.675 . . . . 0.0 110.915 -176.245 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 53.24 23.12 16.46 Favored Glycine 0 CA--C 1.535 1.315 0 C-N-CA 124.333 0.968 . . . . 0.0 114.016 -176.247 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 63.1 m -128.04 137.04 52.03 Favored 'General case' 0 N--CA 1.45 -0.446 0 C-N-CA 126.523 1.929 . . . . 0.0 107.199 -172.945 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -91.87 93.37 8.79 Favored 'General case' 0 CA--C 1.535 0.392 0 N-CA-C 107.404 -1.332 . . . . 0.0 107.404 173.23 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 56.4 m-85 -78.84 142.21 37.06 Favored 'General case' 0 C--O 1.233 0.198 0 C-N-CA 125.561 1.544 . . . . 0.0 108.642 -178.818 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 27' ' ' CYS . . . . . 0.487 ' HA ' ' HA ' ' A' ' 17' ' ' PRO . 23.3 m -127.49 144.98 50.99 Favored 'General case' 0 C--N 1.344 0.367 0 C-N-CA 123.934 0.894 . . . . 0.0 112.907 -177.873 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 58.9 mttm -80.15 60.76 3.76 Favored 'General case' 0 CA--C 1.532 0.256 0 N-CA-C 109.216 -0.661 . . . . 0.0 109.216 -179.26 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 6.4 t -167.26 135.49 2.56 Favored 'General case' 0 N--CA 1.444 -0.728 0 N-CA-C 105.859 -1.904 . . . . 0.0 105.859 179.897 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 30' ' ' THR . . . . . 0.626 ' HG1' ' N ' ' A' ' 31' ' ' NH2 . 10.1 t -166.95 -173.31 2.32 Favored 'General case' 0 C--N 1.327 -0.408 0 C-N-CA 126.069 1.748 . . . . 0.0 107.23 179.539 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 31' ' ' NH2 . . . . . 0.626 ' N ' ' HG1' ' A' ' 30' ' ' THR . . . . . . . . 0 C--N 1.329 -0.292 0 O-C-N 122.344 -0.222 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 1' ' ' PCA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.439 0 N-CA-C 108.683 -0.858 . . . . 0.0 108.683 . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 7.1 m -148.44 -117.93 0.06 Allowed 'General case' 0 C--N 1.329 -0.287 0 N-CA-C 107.143 -1.428 . . . . 0.0 107.143 175.059 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 83.8 mt-30 -49.77 -38.56 34.54 Favored 'General case' 0 CA--C 1.531 0.232 0 C-N-CA 123.072 0.549 . . . . 0.0 110.606 165.783 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 4' ' ' CYS . . . . . 0.421 ' HB2' ' HB2' ' A' ' 9' ' ' ASP . 15.1 p -143.18 168.43 19.77 Favored 'General case' 0 N--CA 1.451 -0.393 0 C-N-CA 126.27 1.828 . . . . 0.0 109.243 -175.359 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 38.1 mt-30 -105.8 -36.66 6.96 Favored 'General case' 0 CA--C 1.534 0.35 0 C-N-CA 126.659 1.984 . . . . 0.0 109.828 166.271 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 1.2 p -152.72 172.59 16.44 Favored 'General case' 0 CA--C 1.514 -0.436 0 CA-C-O 122.019 0.914 . . . . 0.0 111.382 -177.306 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 6.2 p -54.86 -37.98 42.97 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.603 0 CA-C-N 115.641 -0.708 . . . . 0.0 111.295 -176.12 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 3.5 tmt_? -35.59 -44.76 0.33 Allowed 'General case' 0 N--CA 1.452 -0.374 0 C-N-CA 128.272 2.629 . . . . 0.0 113.525 167.168 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 9' ' ' ASP . . . . . 0.421 ' HB2' ' HB2' ' A' ' 4' ' ' CYS . 74.1 m-20 -70.28 -52.55 22.06 Favored 'General case' 0 N--CA 1.445 -0.71 0 N-CA-C 107.969 -1.123 . . . . 0.0 107.969 -178.21 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 10' ' ' CYS . . . . . 0.472 ' HB3' ' CB ' ' A' ' 17' ' ' PRO . 0.3 OUTLIER -57.08 -34.68 68.53 Favored 'General case' 0 C--O 1.219 -0.548 0 C-N-CA 118.794 -1.162 . . . . 0.0 111.815 176.933 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 84.6 mt-30 -58.56 -19.57 39.12 Favored 'General case' 0 CA--C 1.537 0.481 0 CA-C-N 119.195 0.907 . . . . 0.0 111.857 179.705 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 31.4 mt-30 -87.36 -43.84 11.82 Favored 'General case' 0 CA--C 1.535 0.367 0 C-N-CA 123.278 0.631 . . . . 0.0 110.071 171.236 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 89.2 m-85 -66.8 -28.22 68.2 Favored 'General case' 0 CA--C 1.543 0.705 0 N-CA-C 113.558 0.947 . . . . 0.0 113.558 179.994 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 19.1 m -146.42 140.86 26.61 Favored 'General case' 0 CA--C 1.52 -0.19 0 C-N-CA 126.245 1.818 . . . . 0.0 108.767 -165.647 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -63.49 -46.79 84.51 Favored 'General case' 0 CA--C 1.534 0.363 0 N-CA-C 109.395 -0.594 . . . . 0.0 109.395 175.355 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 6.9 m -127.4 74.64 77.61 Favored Pre-proline 0 CA--C 1.536 0.421 0 C-N-CA 123.143 0.577 . . . . 0.0 112.367 -173.295 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 17' ' ' PRO . . . . . 0.515 ' HA ' ' HA ' ' A' ' 27' ' ' CYS . 2.8 Cg_endo -64.39 153.57 76.16 Favored 'Trans proline' 0 N--CA 1.435 -1.959 0 C-N-CA 121.554 1.503 . . . . 0.0 113.491 179.706 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 18' ' ' ASP . . . . . 0.429 ' H ' ' HA ' ' A' ' 27' ' ' CYS . 38.2 t0 -80.61 -65.3 1.03 Allowed 'General case' 0 N--CA 1.445 -0.715 0 N-CA-C 106.06 -1.83 . . . . 0.0 106.06 171.156 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -161.01 153.06 19.93 Favored 'General case' 0 N--CA 1.449 -0.522 0 C-N-CA 124.401 1.08 . . . . 0.0 108.581 -176.502 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 52.7 t -83.49 111.01 18.68 Favored 'General case' 0 N--CA 1.453 -0.299 0 N-CA-C 105.662 -1.977 . . . . 0.0 105.662 147.805 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 3.1 m -159.65 153.02 22.3 Favored 'General case' 0 N--CA 1.45 -0.446 0 C-N-CA 123.915 0.886 . . . . 0.0 108.741 -171.595 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 27.6 t80 49.0 40.73 17.7 Favored 'General case' 0 CA--C 1.539 0.552 0 C-N-CA 123.712 0.805 . . . . 0.0 111.964 179.949 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 52.41 42.33 56.78 Favored Glycine 0 CA--C 1.532 1.11 0 C-N-CA 123.232 0.444 . . . . 0.0 112.103 -175.992 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 7.2 m -153.24 138.4 17.39 Favored 'General case' 0 N--CA 1.453 -0.308 0 N-CA-C 107.996 -1.113 . . . . 0.0 107.996 -176.789 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 25' ' ' CYS . . . . . . . . . . . . 0.264 0.0 OUTLIER -90.68 88.14 6.98 Favored 'General case' 0 CA--C 1.533 0.315 0 CA-C-O 123.24 1.495 . . . . 0.0 107.093 172.566 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 61.7 m-85 -69.65 139.99 53.6 Favored 'General case' 0 N--CA 1.451 -0.387 0 C-N-CA 125.287 1.435 . . . . 0.0 108.332 178.998 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 27' ' ' CYS . . . . . 0.515 ' HA ' ' HA ' ' A' ' 17' ' ' PRO . 21.9 m -123.6 141.93 51.53 Favored 'General case' 0 C--N 1.342 0.269 0 C-N-CA 123.657 0.783 . . . . 0.0 112.421 -179.523 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 52.0 mttp -73.39 -35.28 65.86 Favored 'General case' 0 C--N 1.342 0.26 0 N-CA-C 109.325 -0.62 . . . . 0.0 109.325 178.893 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 9.7 t -159.31 -174.68 4.81 Favored 'General case' 0 N--CA 1.438 -1.027 0 N-CA-C 105.027 -2.212 . . . . 0.0 105.027 164.562 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 6.6 m -157.28 -51.57 0.07 Allowed 'General case' 0 C--N 1.322 -0.622 0 C-N-CA 125.267 1.427 . . . . 0.0 109.364 -178.031 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 31' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.333 -0.142 0 O-C-N 121.999 -0.438 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 1' ' ' PCA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.449 -0.477 0 N-CA-C 109.09 -0.707 . . . . 0.0 109.09 . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 25.6 m -101.12 -114.28 0.19 Allowed 'General case' 0 CA--C 1.53 0.181 0 N-CA-C 106.93 -1.507 . . . . 0.0 106.93 170.661 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 75.0 mt-30 -63.07 -35.17 79.36 Favored 'General case' 0 CA--C 1.531 0.24 0 N-CA-C 109.031 -0.729 . . . . 0.0 109.031 164.542 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 13.7 p -143.23 166.35 24.94 Favored 'General case' 0 N--CA 1.45 -0.462 0 C-N-CA 126.367 1.867 . . . . 0.0 108.326 179.796 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 4.3 tt0 -100.99 -41.68 6.7 Favored 'General case' 0 N--CA 1.45 -0.464 0 C-N-CA 125.815 1.646 . . . . 0.0 109.319 165.983 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -148.86 161.28 42.15 Favored 'General case' 0 C--O 1.223 -0.335 0 C-N-CA 123.602 0.761 . . . . 0.0 109.04 -165.931 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 10.0 p -52.89 -34.12 19.99 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.566 0 O-C-N 121.087 -1.008 . . . . 0.0 112.164 -178.514 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 72.0 mtt85 -49.5 -39.08 32.68 Favored 'General case' 0 CA--C 1.532 0.282 0 C-N-CA 124.444 1.097 . . . . 0.0 113.139 174.105 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 45.4 m-20 -57.21 -51.47 69.21 Favored 'General case' 0 N--CA 1.449 -0.495 0 N-CA-C 108.097 -1.075 . . . . 0.0 108.097 174.229 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 10' ' ' CYS . . . . . 0.439 ' HB3' ' CB ' ' A' ' 17' ' ' PRO . 0.1 OUTLIER -60.71 -34.8 74.93 Favored 'General case' 0 C--O 1.217 -0.644 0 C-N-CA 119.294 -0.962 . . . . 0.0 112.209 175.66 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 38.4 mt-30 -58.64 -24.33 60.92 Favored 'General case' 0 CA--C 1.537 0.448 0 CA-C-N 120.283 1.402 . . . . 0.0 111.551 179.678 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 32.2 mt-30 -77.31 -46.66 22.25 Favored 'General case' 0 CA--C 1.534 0.33 0 CA-C-N 118.281 0.492 . . . . 0.0 109.765 170.144 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 27.8 t80 -64.53 -39.07 93.09 Favored 'General case' 0 CA--C 1.536 0.405 0 N-CA-C 113.776 1.028 . . . . 0.0 113.776 -173.868 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 15.6 m -135.44 142.1 45.52 Favored 'General case' 0 CA--C 1.521 -0.17 0 C-N-CA 127.231 2.212 . . . . 0.0 108.542 -166.369 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 3.8 mm? -77.09 -15.72 59.47 Favored 'General case' 0 CA--C 1.532 0.275 0 C-N-CA 123.205 0.602 . . . . 0.0 110.648 175.468 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 6.3 m -148.29 72.16 10.98 Favored Pre-proline 0 CA--C 1.537 0.464 0 O-C-N 121.157 -0.964 . . . . 0.0 112.384 178.626 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 17' ' ' PRO . . . . . 0.523 ' HA ' ' HA ' ' A' ' 27' ' ' CYS . 5.9 Cg_endo -67.65 172.99 9.63 Favored 'Trans proline' 0 N--CA 1.436 -1.88 0 C-N-CA 121.258 1.305 . . . . 0.0 114.488 -178.772 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 7.5 t70 -111.74 -67.38 1.0 Allowed 'General case' 0 N--CA 1.445 -0.724 0 CA-C-N 113.947 -1.479 . . . . 0.0 109.66 173.2 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 5.2 ptt180 -155.36 144.18 20.63 Favored 'General case' 0 N--CA 1.436 -1.138 0 N-CA-C 109.555 -0.535 . . . . 0.0 109.555 -177.051 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 54.1 t -80.26 108.22 13.69 Favored 'General case' 0 N--CA 1.45 -0.457 0 N-CA-C 105.686 -1.968 . . . . 0.0 105.686 152.019 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 3.1 m -157.92 142.48 16.28 Favored 'General case' 0 N--CA 1.451 -0.393 0 N-CA-C 108.963 -0.755 . . . . 0.0 108.963 -170.528 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 98.1 m-85 50.32 33.53 7.62 Favored 'General case' 0 CA--C 1.537 0.475 0 C-N-CA 123.792 0.837 . . . . 0.0 111.355 -168.465 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 66.63 11.78 57.81 Favored Glycine 0 CA--C 1.536 1.372 0 CA-C-O 119.447 -0.64 . . . . 0.0 113.992 -179.712 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 53.0 m -116.22 135.9 53.49 Favored 'General case' 0 N--CA 1.453 -0.302 0 C-N-CA 126.315 1.846 . . . . 0.0 108.056 179.33 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 25' ' ' CYS . . . . . . . . . . . . 0.283 0.1 OUTLIER -88.6 86.61 7.04 Favored 'General case' 0 CA--C 1.534 0.355 0 CA-C-O 123.399 1.571 . . . . 0.0 108.344 174.114 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 63.4 m-85 -61.33 138.04 58.24 Favored 'General case' 0 N--CA 1.453 -0.292 0 C-N-CA 125.373 1.469 . . . . 0.0 109.135 174.421 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 27' ' ' CYS . . . . . 0.523 ' HA ' ' HA ' ' A' ' 17' ' ' PRO . 14.3 m -124.05 148.62 46.91 Favored 'General case' 0 CA--C 1.518 -0.269 0 C-N-CA 123.703 0.801 . . . . 0.0 111.691 174.997 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 48.3 mttp -72.82 -46.98 50.21 Favored 'General case' 0 C--N 1.339 0.124 0 N-CA-C 108.552 -0.907 . . . . 0.0 108.552 172.663 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 8.9 t -165.29 -176.02 3.87 Favored 'General case' 0 N--CA 1.44 -0.974 0 N-CA-C 106.009 -1.849 . . . . 0.0 106.009 175.348 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 2.4 m 171.0 -51.43 0.01 OUTLIER 'General case' 0 C--N 1.327 -0.386 0 C-N-CA 131.672 3.989 . . . . 0.0 106.902 177.13 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 31' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.333 -0.128 0 O-C-N 121.862 -0.524 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 1' ' ' PCA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.315 0 CA-C-O 121.328 0.585 . . . . 0.0 110.446 . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 30.0 m -143.92 -109.54 0.11 Allowed 'General case' 0 C--N 1.33 -0.245 0 N-CA-C 107.668 -1.234 . . . . 0.0 107.668 173.922 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 81.6 mt-30 -59.46 -33.09 70.86 Favored 'General case' 0 N--CA 1.463 0.201 0 CA-C-N 118.876 0.762 . . . . 0.0 109.75 164.348 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 12.1 p -150.9 168.29 24.95 Favored 'General case' 0 N--CA 1.449 -0.494 0 C-N-CA 125.1 1.36 . . . . 0.0 108.852 -174.958 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 7.5 tt0 -104.34 -39.51 6.44 Favored 'General case' 0 N--CA 1.45 -0.462 0 C-N-CA 127.062 2.145 . . . . 0.0 109.223 166.402 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 1.5 p -153.08 175.14 13.33 Favored 'General case' 0 CA--C 1.514 -0.433 0 CA-C-O 121.852 0.834 . . . . 0.0 110.506 179.113 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 9.8 p -51.84 -36.41 19.28 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.568 0 CA-C-N 115.633 -0.712 . . . . 0.0 111.892 -177.324 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 99.9 mtt180 -45.26 -44.46 11.3 Favored 'General case' 0 CA--C 1.531 0.228 0 C-N-CA 125.497 1.519 . . . . 0.0 112.471 174.312 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 28.3 m-20 -57.68 -53.74 54.78 Favored 'General case' 0 C--O 1.241 0.627 0 CA-C-O 122.109 0.957 . . . . 0.0 108.805 178.145 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 10' ' ' CYS . . . . . 0.476 ' HB3' ' CB ' ' A' ' 17' ' ' PRO . 0.3 OUTLIER -63.02 -31.24 72.34 Favored 'General case' 0 N--CA 1.446 -0.63 0 CA-C-N 114.958 -1.019 . . . . 0.0 111.042 179.724 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 40.7 mt-30 -59.55 -26.61 65.51 Favored 'General case' 0 CA--C 1.536 0.425 0 CA-C-N 120.182 1.356 . . . . 0.0 111.004 179.529 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 15.2 mt-30 -71.62 -48.53 47.34 Favored 'General case' 0 CA--C 1.531 0.218 0 N-CA-C 108.776 -0.824 . . . . 0.0 108.776 168.763 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 5.6 t80 -63.62 -32.16 73.55 Favored 'General case' 0 CA--C 1.538 0.516 0 N-CA-C 113.903 1.075 . . . . 0.0 113.903 -172.951 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 21.7 m -150.1 142.05 23.87 Favored 'General case' 0 C--N 1.331 -0.219 0 C-N-CA 126.527 1.931 . . . . 0.0 109.307 -161.819 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -62.73 -49.17 76.09 Favored 'General case' 0 CA--C 1.535 0.376 0 N-CA-C 109.56 -0.533 . . . . 0.0 109.56 176.479 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 8.7 m -127.09 77.26 75.54 Favored Pre-proline 0 CA--C 1.534 0.361 0 C-N-CA 123.414 0.686 . . . . 0.0 111.791 -175.637 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 17' ' ' PRO . . . . . 0.494 ' HA ' ' HA ' ' A' ' 27' ' ' CYS . 3.3 Cg_endo -63.7 147.28 92.7 Favored 'Trans proline' 0 N--CA 1.433 -2.072 0 C-N-CA 121.653 1.569 . . . . 0.0 112.293 176.161 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 10.8 t0 -83.73 -56.88 3.47 Favored 'General case' 0 N--CA 1.451 -0.376 0 N-CA-C 106.995 -1.483 . . . . 0.0 106.995 178.218 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 6.3 ptt-85 -160.94 151.28 17.87 Favored 'General case' 0 N--CA 1.45 -0.456 0 O-C-N 121.869 -0.519 . . . . 0.0 109.716 175.397 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 40.8 t -85.0 112.94 21.05 Favored 'General case' 0 C--N 1.333 -0.136 0 N-CA-C 105.634 -1.988 . . . . 0.0 105.634 150.316 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 2.6 m -161.8 142.09 10.45 Favored 'General case' 0 N--CA 1.452 -0.357 0 N-CA-C 108.716 -0.846 . . . . 0.0 108.716 -168.873 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 79.0 m-85 49.76 45.0 25.0 Favored 'General case' 0 CA--C 1.535 0.385 0 C-N-CA 123.619 0.768 . . . . 0.0 110.99 -175.273 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 57.77 14.7 16.49 Favored Glycine 0 CA--C 1.536 1.351 0 C-N-CA 124.304 0.954 . . . . 0.0 114.223 -179.213 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 39.8 m -121.61 133.47 54.99 Favored 'General case' 0 N--CA 1.449 -0.478 0 C-N-CA 125.811 1.645 . . . . 0.0 107.279 -172.931 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 25' ' ' CYS . . . . . . . . . . . . 0.282 0.1 OUTLIER -91.3 85.18 5.75 Favored 'General case' 0 CA--C 1.535 0.402 0 CA-C-O 123.142 1.448 . . . . 0.0 107.316 174.074 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 51.4 m-85 -63.23 133.42 54.23 Favored 'General case' 0 N--CA 1.453 -0.29 0 C-N-CA 124.818 1.247 . . . . 0.0 108.069 177.472 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 27' ' ' CYS . . . . . 0.494 ' HA ' ' HA ' ' A' ' 17' ' ' PRO . 35.5 m -117.9 140.1 50.2 Favored 'General case' 0 CA--C 1.513 -0.463 0 C-N-CA 123.209 0.604 . . . . 0.0 111.254 175.597 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 6.2 tmtt? -79.67 36.59 0.32 Allowed 'General case' 0 CA--C 1.541 0.605 0 CA-C-O 121.21 0.528 . . . . 0.0 110.962 -175.44 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 2.1 m -83.8 47.67 1.33 Allowed 'General case' 0 CA--C 1.534 0.33 0 O-C-N 120.909 -1.119 . . . . 0.0 108.852 -178.375 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 72.4 p -80.29 71.68 7.09 Favored 'General case' 0 N--CA 1.453 -0.287 0 N-CA-C 109.022 -0.732 . . . . 0.0 109.022 -171.825 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 31' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.331 -0.232 0 O-C-N 122.907 0.129 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 1' ' ' PCA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.305 0 N-CA-C 108.717 -0.846 . . . . 0.0 108.717 . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 10.9 p -153.26 170.17 21.26 Favored 'General case' 0 N--CA 1.437 -1.117 0 N-CA-C 103.65 -2.722 . . . . 0.0 103.65 -178.603 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 79.7 mt-30 -73.45 -35.17 65.72 Favored 'General case' 0 C--N 1.324 -0.525 0 C-N-CA 123.597 0.759 . . . . 0.0 109.647 178.88 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 20.9 p -140.19 160.35 40.15 Favored 'General case' 0 N--CA 1.454 -0.249 0 C-N-CA 126.12 1.768 . . . . 0.0 109.294 172.875 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 7.4 tt0 -100.49 -35.65 9.47 Favored 'General case' 0 N--CA 1.45 -0.457 0 C-N-CA 126.095 1.758 . . . . 0.0 109.62 171.332 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 15.2 m -161.23 161.81 30.93 Favored 'General case' 0 C--O 1.222 -0.392 0 C-N-CA 123.433 0.693 . . . . 0.0 109.33 -172.634 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 8.5 p -47.95 -36.42 5.7 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.427 0 N-CA-C 113.517 0.932 . . . . 0.0 113.517 -172.422 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 46.4 mtp85 -49.69 -39.52 36.98 Favored 'General case' 0 CA--C 1.531 0.223 0 C-N-CA 124.109 0.963 . . . . 0.0 112.963 175.74 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 45.5 m-20 -55.64 -53.94 50.32 Favored 'General case' 0 N--CA 1.448 -0.572 0 N-CA-C 108.538 -0.912 . . . . 0.0 108.538 173.837 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 10' ' ' CYS . . . . . 0.508 ' SG ' ' HB3' ' A' ' 17' ' ' PRO . 0.1 OUTLIER -58.28 -36.58 73.51 Favored 'General case' 0 N--CA 1.45 -0.439 0 CA-C-O 118.282 -0.866 . . . . 0.0 111.987 175.997 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 45.8 mt-30 -57.18 -25.49 59.06 Favored 'General case' 0 CA--C 1.537 0.468 0 CA-C-N 119.965 1.257 . . . . 0.0 111.393 178.617 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 27.1 mt-30 -76.96 -48.81 17.02 Favored 'General case' 0 CA--C 1.533 0.31 0 CA-C-N 118.415 0.552 . . . . 0.0 109.864 171.789 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 76.0 m-85 -70.52 -23.01 62.57 Favored 'General case' 0 CA--C 1.544 0.713 0 N-CA-C 113.283 0.845 . . . . 0.0 113.283 -174.292 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 20.8 m -149.35 141.99 24.48 Favored 'General case' 0 N--CA 1.463 0.197 0 C-N-CA 125.731 1.612 . . . . 0.0 109.682 -166.575 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -64.89 -50.35 66.89 Favored 'General case' 0 CA--C 1.534 0.363 0 C-N-CA 122.882 0.473 . . . . 0.0 109.795 177.425 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 20.7 m -125.33 81.38 63.95 Favored Pre-proline 0 CA--C 1.534 0.362 0 C-N-CA 123.409 0.684 . . . . 0.0 111.445 -178.1 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 17' ' ' PRO . . . . . 0.508 ' HB3' ' SG ' ' A' ' 10' ' ' CYS . 1.1 Cg_endo -63.88 162.01 30.55 Favored 'Trans proline' 0 N--CA 1.435 -1.953 0 C-N-CA 121.545 1.497 . . . . 0.0 114.164 176.357 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 28.4 t70 -96.67 -62.9 1.19 Allowed 'General case' 0 N--CA 1.453 -0.293 0 C-N-CA 127.014 2.126 . . . . 0.0 106.978 175.65 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -155.32 159.41 39.95 Favored 'General case' 0 N--CA 1.447 -0.612 0 N-CA-C 108.906 -0.776 . . . . 0.0 108.906 176.728 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 44.1 t -90.65 116.54 28.61 Favored 'General case' 0 N--CA 1.455 -0.196 0 N-CA-C 105.39 -2.078 . . . . 0.0 105.39 145.308 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 2.1 m -159.32 143.72 15.28 Favored 'General case' 0 N--CA 1.448 -0.563 0 N-CA-C 108.887 -0.782 . . . . 0.0 108.887 -172.019 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 91.1 m-85 51.34 35.25 13.41 Favored 'General case' 0 CA--C 1.538 0.505 0 C-N-CA 123.782 0.833 . . . . 0.0 111.485 -172.144 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 68.05 8.48 54.13 Favored Glycine 0 CA--C 1.535 1.333 0 CA-C-O 119.157 -0.802 . . . . 0.0 114.188 179.953 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 4.8 m -117.4 138.14 52.01 Favored 'General case' 0 N--CA 1.453 -0.286 0 C-N-CA 126.363 1.865 . . . . 0.0 109.014 -178.899 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -89.3 102.13 14.8 Favored 'General case' 0 CA--C 1.536 0.413 0 N-CA-C 107.361 -1.348 . . . . 0.0 107.361 173.091 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 71.5 m-85 -83.5 141.98 31.25 Favored 'General case' 0 N--CA 1.453 -0.291 0 C-N-CA 126.847 2.059 . . . . 0.0 108.162 178.022 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 27' ' ' CYS . . . . . 0.468 ' HA ' ' HA ' ' A' ' 17' ' ' PRO . 21.7 m -127.15 146.68 50.31 Favored 'General case' 0 C--N 1.345 0.404 0 N-CA-C 113.005 0.743 . . . . 0.0 113.005 -177.956 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -80.57 65.44 5.71 Favored 'General case' 0 N--CA 1.454 -0.258 0 N-CA-C 108.531 -0.914 . . . . 0.0 108.531 -177.838 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 2.2 m -148.18 -138.96 0.09 Allowed 'General case' 0 N--CA 1.451 -0.393 0 N-CA-C 106.63 -1.619 . . . . 0.0 106.63 175.757 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 21.7 p -78.14 69.53 4.37 Favored 'General case' 0 N--CA 1.452 -0.338 0 C-N-CA 124.004 0.922 . . . . 0.0 109.306 -177.567 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 31' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.332 -0.153 0 O-C-N 122.41 -0.182 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 1' ' ' PCA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.328 0 N-CA-C 108.885 -0.783 . . . . 0.0 108.885 . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 8.6 m -138.14 -116.63 0.15 Allowed 'General case' 0 CA--C 1.53 0.176 0 N-CA-C 108.869 -0.789 . . . . 0.0 108.869 -161.484 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 82.5 mt-30 -57.0 -37.41 71.64 Favored 'General case' 0 N--CA 1.465 0.311 0 CA-C-N 119.122 0.873 . . . . 0.0 109.769 167.86 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 8.5 p -142.96 167.84 21.11 Favored 'General case' 0 N--CA 1.443 -0.784 0 C-N-CA 126.474 1.91 . . . . 0.0 107.948 -174.711 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 30.1 mt-30 -107.08 -34.35 7.18 Favored 'General case' 0 N--CA 1.451 -0.412 0 C-N-CA 126.315 1.846 . . . . 0.0 109.782 168.856 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 1.4 p -156.08 172.54 18.25 Favored 'General case' 0 CA--C 1.513 -0.455 0 CA-C-O 121.992 0.901 . . . . 0.0 110.5 178.131 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 8.4 p -51.64 -34.57 16.24 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.646 0 CA-C-N 115.284 -0.871 . . . . 0.0 111.866 -176.398 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 99.5 mtt180 -46.26 -45.96 17.53 Favored 'General case' 0 CA--C 1.532 0.28 0 C-N-CA 124.993 1.317 . . . . 0.0 112.419 173.561 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 46.0 m-20 -56.46 -51.85 66.91 Favored 'General case' 0 N--CA 1.449 -0.52 0 N-CA-C 108.617 -0.883 . . . . 0.0 108.617 178.356 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 10' ' ' CYS . . . . . 0.461 ' SG ' ' HB3' ' A' ' 17' ' ' PRO . 0.1 OUTLIER -58.64 -41.04 85.11 Favored 'General case' 0 C--O 1.215 -0.73 0 C-N-CA 117.968 -1.493 . . . . 0.0 110.976 174.633 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 41.6 mt-30 -58.99 -26.91 64.9 Favored 'General case' 0 CA--C 1.534 0.358 0 CA-C-N 120.784 1.629 . . . . 0.0 112.13 179.635 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 32.0 mt-30 -66.31 -43.17 87.01 Favored 'General case' 0 CA--C 1.534 0.346 0 CA-C-N 118.734 0.697 . . . . 0.0 110.489 169.575 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 65.2 m-85 -77.21 -60.18 2.47 Favored 'General case' 0 CA--C 1.543 0.679 0 N-CA-C 114.084 1.142 . . . . 0.0 114.084 -176.663 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 31.0 m -101.93 152.06 21.38 Favored 'General case' 0 C--N 1.333 -0.148 0 C-N-CA 128.151 2.58 . . . . 0.0 109.689 -171.129 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -74.72 -45.35 44.74 Favored 'General case' 0 N--CA 1.455 -0.199 0 N-CA-C 107.76 -1.2 . . . . 0.0 107.76 178.397 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 4.6 m -126.19 76.96 72.23 Favored Pre-proline 0 C--O 1.239 0.526 0 C-N-CA 123.533 0.733 . . . . 0.0 111.123 -176.685 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 17' ' ' PRO . . . . . 0.529 ' HA ' ' HA ' ' A' ' 27' ' ' CYS . 1.0 OUTLIER -66.21 158.66 53.65 Favored 'Trans proline' 0 N--CA 1.436 -1.888 0 C-N-CA 121.085 1.19 . . . . 0.0 113.219 177.421 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 29.4 t0 -88.91 -64.38 1.15 Allowed 'General case' 0 N--CA 1.452 -0.34 0 N-CA-C 106.007 -1.849 . . . . 0.0 106.007 173.215 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 1.6 ptt85 -162.55 153.02 16.82 Favored 'General case' 0 N--CA 1.448 -0.534 0 N-CA-C 109.073 -0.714 . . . . 0.0 109.073 -177.503 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 54.1 t -80.85 108.6 14.65 Favored 'General case' 0 N--CA 1.452 -0.368 0 N-CA-C 105.885 -1.895 . . . . 0.0 105.885 147.448 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 3.1 m -157.09 147.37 21.08 Favored 'General case' 0 N--CA 1.451 -0.384 0 N-CA-C 108.741 -0.836 . . . . 0.0 108.741 -173.165 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 73.1 m-85 49.26 41.66 20.5 Favored 'General case' 0 CA--C 1.538 0.494 0 C-N-CA 123.18 0.592 . . . . 0.0 110.461 -170.466 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 54.72 20.91 20.29 Favored Glycine 0 CA--C 1.535 1.32 0 C-N-CA 124.063 0.839 . . . . 0.0 113.996 -177.91 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 62.3 m -125.72 132.95 52.27 Favored 'General case' 0 N--CA 1.449 -0.493 0 C-N-CA 126.062 1.745 . . . . 0.0 107.324 -172.847 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 25' ' ' CYS . . . . . . . . . . . . 0.284 0.0 OUTLIER -84.92 86.42 7.37 Favored 'General case' 0 CA--C 1.535 0.366 0 CA-C-O 123.153 1.454 . . . . 0.0 107.574 172.932 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 68.5 m-85 -65.64 136.93 56.96 Favored 'General case' 0 N--CA 1.451 -0.378 0 C-N-CA 124.736 1.214 . . . . 0.0 108.371 176.073 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 27' ' ' CYS . . . . . 0.529 ' HA ' ' HA ' ' A' ' 17' ' ' PRO . 37.7 m -114.91 134.3 55.28 Favored 'General case' 0 C--N 1.343 0.308 0 O-C-N 123.527 0.517 . . . . 0.0 112.224 177.46 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -82.44 -50.14 9.18 Favored 'General case' 0 N--CA 1.443 -0.795 0 C-N-CA 124.451 1.101 . . . . 0.0 108.165 -173.734 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 32.2 m -151.14 74.29 1.14 Allowed 'General case' 0 CA--C 1.53 0.205 0 CA-C-O 121.501 0.667 . . . . 0.0 109.915 175.524 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 9.5 m -151.24 149.49 29.47 Favored 'General case' 0 CA--C 1.53 0.18 0 N-CA-C 105.443 -2.058 . . . . 0.0 105.443 157.17 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 31' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.332 -0.178 0 CA-C-N 118.522 0.601 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 1' ' ' PCA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.448 -0.561 0 N-CA-C 109.325 -0.62 . . . . 0.0 109.325 . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 32.4 m -89.46 -109.52 0.08 Allowed 'General case' 0 CA--C 1.526 0.056 0 N-CA-C 106.092 -1.818 . . . . 0.0 106.092 160.514 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 80.6 mt-30 -62.7 -38.46 90.52 Favored 'General case' 0 CA--C 1.53 0.2 0 C-N-CA 119.457 -0.897 . . . . 0.0 108.826 155.085 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 12.0 p -145.13 157.41 44.1 Favored 'General case' 0 N--CA 1.447 -0.577 0 C-N-CA 125.83 1.652 . . . . 0.0 108.469 -174.128 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 32.2 tt0 -94.72 -34.18 12.64 Favored 'General case' 0 N--CA 1.455 -0.224 0 C-N-CA 125.095 1.358 . . . . 0.0 109.644 168.251 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 13.9 m -162.69 167.46 23.05 Favored 'General case' 0 C--O 1.225 -0.213 0 C-N-CA 124.01 0.924 . . . . 0.0 108.633 -173.399 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 9.8 p -47.23 -38.26 4.85 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.392 0 C-N-CA 124.024 0.93 . . . . 0.0 112.842 -175.357 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 81.3 mtt85 -49.18 -40.65 34.0 Favored 'General case' 0 CA--C 1.534 0.338 0 C-N-CA 124.219 1.007 . . . . 0.0 112.406 176.449 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 6.9 m-20 -62.87 -43.39 98.92 Favored 'General case' 0 N--CA 1.447 -0.58 0 N-CA-C 109.911 -0.403 . . . . 0.0 109.911 177.231 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 10' ' ' CYS . . . . . 0.471 ' HB3' ' CB ' ' A' ' 17' ' ' PRO . 0.5 OUTLIER -63.69 -35.71 81.44 Favored 'General case' 0 C--O 1.217 -0.619 0 C-N-CA 117.015 -1.874 . . . . 0.0 111.04 170.769 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 40.4 mt-30 -60.47 -38.84 85.5 Favored 'General case' 0 CA--C 1.534 0.347 0 CA-C-N 120.447 1.476 . . . . 0.0 110.158 -179.564 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 4.1 mt-30 -56.4 -40.05 74.03 Favored 'General case' 0 CA--C 1.54 0.581 0 O-C-N 122.126 -0.359 . . . . 0.0 110.257 170.221 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 4.1 t80 -77.15 -37.4 54.01 Favored 'General case' 0 CA--C 1.543 0.683 0 N-CA-C 114.792 1.404 . . . . 0.0 114.792 -176.789 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 7.5 m -142.9 139.3 30.73 Favored 'General case' 0 N--CA 1.463 0.222 0 C-N-CA 127.113 2.165 . . . . 0.0 108.491 -160.053 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -60.15 -48.99 79.39 Favored 'General case' 0 CA--C 1.534 0.362 0 N-CA-C 109.86 -0.422 . . . . 0.0 109.86 177.471 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 12.9 m -127.36 82.15 68.74 Favored Pre-proline 0 CA--C 1.535 0.379 0 C-N-CA 123.336 0.654 . . . . 0.0 111.803 -177.837 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 17' ' ' PRO . . . . . 0.527 ' HA ' ' HA ' ' A' ' 27' ' ' CYS . 2.4 Cg_endo -65.87 162.49 34.74 Favored 'Trans proline' 0 N--CA 1.436 -1.905 0 C-N-CA 121.533 1.489 . . . . 0.0 113.107 174.637 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 9.1 t0 -97.11 -57.23 2.32 Favored 'General case' 0 N--CA 1.452 -0.329 0 C-N-CA 125.877 1.671 . . . . 0.0 107.37 176.222 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 5.8 ptt-85 -158.13 155.25 28.81 Favored 'General case' 0 N--CA 1.452 -0.331 0 N-CA-C 109.695 -0.483 . . . . 0.0 109.695 175.586 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 41.6 t -87.93 117.89 27.09 Favored 'General case' 0 C--O 1.232 0.168 0 N-CA-C 105.217 -2.142 . . . . 0.0 105.217 147.524 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 2.0 m -162.03 141.33 9.67 Favored 'General case' 0 N--CA 1.451 -0.414 0 N-CA-C 108.483 -0.932 . . . . 0.0 108.483 -169.639 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 70.8 m-85 51.54 40.25 26.56 Favored 'General case' 0 CA--C 1.536 0.412 0 C-N-CA 123.384 0.674 . . . . 0.0 110.764 -171.484 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 54.75 18.73 11.7 Favored Glycine 0 CA--C 1.535 1.288 0 C-N-CA 124.28 0.943 . . . . 0.0 113.905 -176.889 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 55.1 m -120.9 137.05 54.78 Favored 'General case' 0 N--CA 1.45 -0.458 0 C-N-CA 126.538 1.935 . . . . 0.0 106.747 -174.421 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -93.99 98.84 11.29 Favored 'General case' 0 CA--C 1.537 0.443 0 CA-C-O 122.593 1.187 . . . . 0.0 108.018 177.238 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 50.2 m-85 -78.23 134.17 37.62 Favored 'General case' 0 N--CA 1.455 -0.207 0 C-N-CA 125.752 1.621 . . . . 0.0 108.065 177.308 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 27' ' ' CYS . . . . . 0.527 ' HA ' ' HA ' ' A' ' 17' ' ' PRO . 11.4 m -117.93 149.44 40.9 Favored 'General case' 0 C--N 1.343 0.305 0 C-N-CA 123.736 0.814 . . . . 0.0 111.348 173.458 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 24.8 mtpp -70.18 -38.8 75.48 Favored 'General case' 0 C--N 1.34 0.185 0 CA-C-O 121.0 0.429 . . . . 0.0 110.405 -174.054 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 24.5 m -157.88 136.52 11.27 Favored 'General case' 0 N--CA 1.446 -0.66 0 N-CA-C 104.352 -2.462 . . . . 0.0 104.352 175.61 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 1.2 m -50.25 -44.84 53.69 Favored 'General case' 0 CA--C 1.533 0.323 0 C-N-CA 125.67 1.588 . . . . 0.0 112.318 -174.265 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 31' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.334 -0.08 0 O-C-N 121.833 -0.542 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 1' ' ' PCA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.4 0 N-CA-C 109.07 -0.715 . . . . 0.0 109.07 . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 20.8 m -94.45 -113.78 0.11 Allowed 'General case' 0 CA--C 1.529 0.163 0 N-CA-C 106.937 -1.505 . . . . 0.0 106.937 174.013 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 81.3 mt-30 -58.9 -41.03 86.23 Favored 'General case' 0 N--CA 1.463 0.196 0 O-C-N 121.276 -0.89 . . . . 0.0 109.032 160.378 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 17.9 p -143.43 168.59 19.46 Favored 'General case' 0 N--CA 1.446 -0.657 0 C-N-CA 127.246 2.218 . . . . 0.0 108.764 -174.641 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 3.2 tt0 -112.27 -30.54 7.15 Favored 'General case' 0 N--CA 1.448 -0.542 0 C-N-CA 127.24 2.216 . . . . 0.0 110.476 171.455 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 33.4 m -160.92 160.58 31.05 Favored 'General case' 0 C--O 1.222 -0.37 0 C-N-CA 124.343 1.057 . . . . 0.0 108.359 -175.29 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 10.0 p -48.62 -34.8 5.88 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.54 0 O-C-N 121.349 -0.845 . . . . 0.0 113.024 -175.344 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 99.8 mtt180 -42.5 -46.41 4.81 Favored 'General case' 0 CA--C 1.533 0.291 0 C-N-CA 125.714 1.605 . . . . 0.0 112.543 172.301 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 29.9 m-20 -55.02 -55.52 30.07 Favored 'General case' 0 N--CA 1.449 -0.523 0 C-N-CA 124.059 0.944 . . . . 0.0 108.834 175.988 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 10' ' ' CYS . . . . . 0.49 ' HB3' ' CB ' ' A' ' 17' ' ' PRO . 0.1 OUTLIER -58.03 -35.63 71.57 Favored 'General case' 0 C--O 1.219 -0.537 0 CA-C-O 118.412 -0.804 . . . . 0.0 111.852 177.38 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 40.7 mt-30 -58.91 -22.78 60.32 Favored 'General case' 0 CA--C 1.539 0.533 0 CA-C-N 119.748 1.158 . . . . 0.0 111.283 179.407 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 33.2 mt-30 -80.55 -47.03 14.8 Favored 'General case' 0 CA--C 1.533 0.296 0 CA-C-N 118.353 0.524 . . . . 0.0 110.346 170.6 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 85.0 m-85 -69.57 -24.94 63.77 Favored 'General case' 0 CA--C 1.546 0.789 0 N-CA-C 113.349 0.87 . . . . 0.0 113.349 -175.957 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 19.5 m -148.87 139.45 22.63 Favored 'General case' 0 N--CA 1.463 0.213 0 C-N-CA 126.358 1.863 . . . . 0.0 108.449 -167.124 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 3.9 mm? -67.26 -41.51 85.43 Favored 'General case' 0 CA--C 1.53 0.207 0 N-CA-C 110.428 -0.212 . . . . 0.0 110.428 178.345 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 17.8 m -127.68 80.78 71.4 Favored Pre-proline 0 C--O 1.234 0.269 0 C-N-CA 122.982 0.513 . . . . 0.0 111.469 -179.221 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 17' ' ' PRO . . . . . 0.507 ' HA ' ' HA ' ' A' ' 27' ' ' CYS . 2.4 Cg_endo -68.19 157.95 59.59 Favored 'Trans proline' 0 N--CA 1.439 -1.719 0 C-N-CA 121.333 1.355 . . . . 0.0 114.607 176.662 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 17.8 t70 -86.17 -62.76 1.44 Allowed 'General case' 0 N--CA 1.453 -0.302 0 N-CA-C 106.28 -1.748 . . . . 0.0 106.28 171.33 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -162.47 154.49 18.71 Favored 'General case' 0 N--CA 1.451 -0.378 0 C-N-CA 123.858 0.863 . . . . 0.0 109.148 -177.757 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 53.9 t -82.34 113.84 20.4 Favored 'General case' 0 N--CA 1.455 -0.188 0 N-CA-C 105.735 -1.95 . . . . 0.0 105.735 146.588 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 2.4 m -159.77 144.6 15.14 Favored 'General case' 0 N--CA 1.45 -0.427 0 N-CA-C 108.075 -1.084 . . . . 0.0 108.075 -172.819 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER 55.83 38.48 30.1 Favored 'General case' 0 CA--C 1.543 0.679 0 CA-C-O 121.402 0.62 . . . . 0.0 110.399 -177.404 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 56.67 15.92 14.44 Favored Glycine 0 CA--C 1.536 1.386 0 C-N-CA 124.28 0.943 . . . . 0.0 114.064 -176.506 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 59.0 m -122.31 134.0 54.66 Favored 'General case' 0 N--CA 1.449 -0.481 0 C-N-CA 126.224 1.81 . . . . 0.0 107.122 -172.259 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 25' ' ' CYS . . . . . . . . . . . . 0.257 0.0 OUTLIER -86.22 89.51 7.87 Favored 'General case' 0 CA--C 1.534 0.365 0 N-CA-C 106.766 -1.568 . . . . 0.0 106.766 171.412 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 44.7 m-85 -68.79 131.75 45.67 Favored 'General case' 0 N--CA 1.451 -0.405 0 N-CA-C 107.733 -1.21 . . . . 0.0 107.733 177.114 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 27' ' ' CYS . . . . . 0.507 ' HA ' ' HA ' ' A' ' 17' ' ' PRO . 44.7 m -107.18 139.99 40.75 Favored 'General case' 0 C--N 1.341 0.201 0 CA-C-N 118.28 0.491 . . . . 0.0 111.251 178.804 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -70.34 -33.72 71.8 Favored 'General case' 0 C--O 1.235 0.301 0 N-CA-C 109.072 -0.714 . . . . 0.0 109.072 -170.805 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 3.4 m -144.55 -137.71 0.1 Allowed 'General case' 0 N--CA 1.451 -0.404 0 N-CA-C 105.003 -2.221 . . . . 0.0 105.003 163.965 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 30' ' ' THR . . . . . 0.629 ' HG1' ' N ' ' A' ' 31' ' ' NH2 . 15.1 t -72.79 -179.44 3.13 Favored 'General case' 0 CA--C 1.538 0.513 0 CA-C-N 119.753 1.16 . . . . 0.0 111.31 177.993 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 31' ' ' NH2 . . . . . 0.629 ' N ' ' HG1' ' A' ' 30' ' ' THR . . . . . . . . 0 C--N 1.33 -0.254 0 O-C-N 121.885 -0.509 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 1' ' ' PCA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.316 0 CA-C-O 120.982 0.42 . . . . 0.0 110.086 . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 20.8 m -141.29 -115.71 0.12 Allowed 'General case' 0 C--N 1.33 -0.242 0 N-CA-C 107.295 -1.372 . . . . 0.0 107.295 169.022 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 82.8 mt-30 -59.0 -37.5 77.02 Favored 'General case' 0 CA--C 1.531 0.245 0 CA-C-N 119.345 0.975 . . . . 0.0 109.703 166.531 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 13.5 p -145.16 175.15 10.47 Favored 'General case' 0 N--CA 1.449 -0.489 0 C-N-CA 126.504 1.921 . . . . 0.0 108.844 -174.007 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 35.4 mt-30 -113.55 -33.46 5.87 Favored 'General case' 0 CA--C 1.535 0.372 0 C-N-CA 127.624 2.37 . . . . 0.0 110.507 166.19 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 26.3 m -159.74 164.1 34.13 Favored 'General case' 0 C--O 1.222 -0.353 0 CA-C-N 119.426 1.012 . . . . 0.0 108.815 -175.507 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 10.0 p -49.81 -35.23 10.1 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.568 0 O-C-N 121.237 -0.915 . . . . 0.0 113.054 -174.097 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 62.6 ttt180 -46.92 -37.61 9.24 Favored 'General case' 0 CA--C 1.536 0.435 0 C-N-CA 125.811 1.644 . . . . 0.0 113.018 174.548 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 56.6 m-20 -61.43 -57.65 11.34 Favored 'General case' 0 N--CA 1.448 -0.568 0 C-N-CA 124.147 0.979 . . . . 0.0 108.398 173.991 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 10' ' ' CYS . . . . . 0.476 ' HB3' ' CB ' ' A' ' 17' ' ' PRO . 0.1 OUTLIER -57.15 -34.37 68.35 Favored 'General case' 0 N--CA 1.449 -0.485 0 C-N-CA 119.578 -0.849 . . . . 0.0 112.007 179.449 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 39.7 mt-30 -58.13 -22.49 51.27 Favored 'General case' 0 CA--C 1.539 0.534 0 CA-C-N 119.258 0.935 . . . . 0.0 111.329 180.0 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 36.1 mt-30 -84.9 -44.78 12.87 Favored 'General case' 0 CA--C 1.534 0.364 0 C-N-CA 123.269 0.628 . . . . 0.0 109.805 173.206 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 90.2 m-85 -66.21 -28.03 68.43 Favored 'General case' 0 CA--C 1.542 0.667 0 N-CA-C 113.412 0.893 . . . . 0.0 113.412 179.984 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 15.5 m -145.22 136.49 25.01 Favored 'General case' 0 CA--C 1.522 -0.13 0 C-N-CA 125.916 1.686 . . . . 0.0 108.702 -165.164 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -68.16 -24.25 64.96 Favored 'General case' 0 CA--C 1.536 0.422 0 C-N-CA 122.53 0.332 . . . . 0.0 111.024 177.228 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 6.7 m -147.83 80.4 8.88 Favored Pre-proline 0 C--O 1.235 0.319 0 O-C-N 120.935 -1.103 . . . . 0.0 111.463 177.936 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 17' ' ' PRO . . . . . 0.537 ' HA ' ' HA ' ' A' ' 27' ' ' CYS . 8.9 Cg_endo -64.62 162.8 29.79 Favored 'Trans proline' 0 N--CA 1.435 -1.919 0 C-N-CA 122.529 2.152 . . . . 0.0 113.088 174.831 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 24.8 t70 -96.12 -60.85 1.54 Allowed 'General case' 0 N--CA 1.449 -0.497 0 C-N-CA 125.932 1.693 . . . . 0.0 107.249 169.804 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 7.7 ptt-85 -159.15 149.72 19.59 Favored 'General case' 0 N--CA 1.443 -0.823 0 N-CA-C 110.163 -0.31 . . . . 0.0 110.163 -176.104 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 41.6 t -86.7 111.95 21.18 Favored 'General case' 0 C--N 1.333 -0.152 0 N-CA-C 105.543 -2.021 . . . . 0.0 105.543 151.989 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 3.2 m -162.11 143.29 10.66 Favored 'General case' 0 N--CA 1.45 -0.427 0 N-CA-C 108.257 -1.016 . . . . 0.0 108.257 -169.355 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 45.4 t80 52.96 41.96 32.12 Favored 'General case' 0 CA--C 1.539 0.542 0 CA-C-O 121.525 0.679 . . . . 0.0 110.78 -176.828 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 57.6 12.88 10.45 Favored Glycine 0 CA--C 1.536 1.386 0 C-N-CA 124.379 0.99 . . . . 0.0 114.317 -177.548 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 41.2 m -119.36 134.66 55.1 Favored 'General case' 0 N--CA 1.45 -0.455 0 C-N-CA 126.051 1.74 . . . . 0.0 107.275 -172.524 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 25' ' ' CYS . . . . . . . . . . . . 0.28 0.1 OUTLIER -91.91 87.6 6.29 Favored 'General case' 0 CA--C 1.536 0.439 0 CA-C-O 123.291 1.519 . . . . 0.0 107.387 172.531 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 58.5 m-85 -65.85 139.41 58.3 Favored 'General case' 0 N--CA 1.453 -0.32 0 C-N-CA 125.537 1.535 . . . . 0.0 109.02 177.699 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 27' ' ' CYS . . . . . 0.537 ' HA ' ' HA ' ' A' ' 17' ' ' PRO . 7.6 m -129.34 147.31 51.16 Favored 'General case' 0 C--N 1.343 0.311 0 C-N-CA 124.551 1.14 . . . . 0.0 111.92 176.979 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 73.7 mmtt -52.65 -40.81 63.19 Favored 'General case' 0 C--N 1.342 0.255 0 O-C-N 123.718 0.636 . . . . 0.0 111.298 -173.189 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 14.9 t -120.82 52.43 1.18 Allowed 'General case' 0 CA--C 1.535 0.389 0 C-N-CA 123.935 0.894 . . . . 0.0 109.035 174.011 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 9.7 t -56.48 -38.73 72.11 Favored 'General case' 0 CA--C 1.536 0.438 0 O-C-N 121.509 -0.744 . . . . 0.0 111.466 174.564 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 31' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.335 -0.057 0 O-C-N 121.639 -0.663 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 1' ' ' PCA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.433 0 N-CA-C 108.808 -0.812 . . . . 0.0 108.808 . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 28.0 m -99.11 -110.95 0.18 Allowed 'General case' 0 CA--C 1.529 0.152 0 N-CA-C 107.015 -1.476 . . . . 0.0 107.015 175.022 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 82.0 mt-30 -61.17 -35.44 77.15 Favored 'General case' 0 N--CA 1.464 0.228 0 O-C-N 121.41 -0.806 . . . . 0.0 109.187 159.791 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 4' ' ' CYS . . . . . 0.428 ' HB2' ' HB2' ' A' ' 9' ' ' ASP . 12.1 p -148.28 162.18 40.03 Favored 'General case' 0 N--CA 1.443 -0.806 0 C-N-CA 125.915 1.686 . . . . 0.0 108.638 -175.178 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 7.0 tt0 -99.46 -39.4 8.37 Favored 'General case' 0 N--CA 1.447 -0.593 0 C-N-CA 126.713 2.005 . . . . 0.0 108.747 166.665 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 1.8 p -155.29 174.08 15.72 Favored 'General case' 0 C--O 1.221 -0.445 0 CA-C-O 122.015 0.912 . . . . 0.0 111.333 179.889 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 7.9 p -50.27 -36.78 13.42 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.549 0 CA-C-N 115.537 -0.756 . . . . 0.0 112.636 -173.75 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 3.8 mpt_? -49.03 -45.18 42.3 Favored 'General case' 0 CA--C 1.534 0.327 0 C-N-CA 124.605 1.162 . . . . 0.0 112.025 175.438 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 9' ' ' ASP . . . . . 0.428 ' HB2' ' HB2' ' A' ' 4' ' ' CYS . 49.1 m-20 -54.94 -52.0 64.36 Favored 'General case' 0 N--CA 1.447 -0.603 0 N-CA-C 108.436 -0.95 . . . . 0.0 108.436 176.818 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 10' ' ' CYS . . . . . 0.476 ' SG ' ' HB3' ' A' ' 17' ' ' PRO . 0.1 OUTLIER -61.27 -39.58 90.94 Favored 'General case' 0 C--O 1.215 -0.744 0 C-N-CA 117.108 -1.837 . . . . 0.0 111.442 175.485 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 41.3 mt-30 -56.52 -35.2 67.79 Favored 'General case' 0 CA--C 1.534 0.357 0 CA-C-N 120.946 1.703 . . . . 0.0 110.789 179.287 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 5.7 mt-30 -63.54 -38.49 91.31 Favored 'General case' 0 CA--C 1.539 0.527 0 O-C-N 122.237 -0.29 . . . . 0.0 110.941 173.959 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 5.9 m-85 -73.68 -62.57 1.45 Allowed 'General case' 0 CA--C 1.545 0.772 0 CA-C-N 118.589 0.631 . . . . 0.0 112.605 178.036 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 21.9 m -111.86 141.58 45.32 Favored 'General case' 0 C--O 1.226 -0.135 0 C-N-CA 129.626 3.17 . . . . 0.0 109.292 -162.785 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 3.7 mm? -59.7 -46.15 89.94 Favored 'General case' 0 CA--C 1.531 0.238 0 C-N-CA 122.498 0.319 . . . . 0.0 110.266 175.405 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 11.9 m -129.25 79.64 73.88 Favored Pre-proline 0 C--O 1.235 0.342 0 C-N-CA 123.28 0.632 . . . . 0.0 111.312 -174.345 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 17' ' ' PRO . . . . . 0.539 ' HA ' ' HA ' ' A' ' 27' ' ' CYS . 1.0 OUTLIER -66.66 154.98 72.5 Favored 'Trans proline' 0 N--CA 1.436 -1.887 0 C-N-CA 121.013 1.142 . . . . 0.0 113.111 177.009 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 28.7 t70 -81.89 -61.76 1.83 Allowed 'General case' 0 N--CA 1.454 -0.264 0 N-CA-C 106.038 -1.838 . . . . 0.0 106.038 170.693 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 1.9 ptt85 -163.66 155.02 16.62 Favored 'General case' 0 N--CA 1.448 -0.547 0 N-CA-C 108.902 -0.777 . . . . 0.0 108.902 -178.412 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 52.9 t -82.12 112.6 19.31 Favored 'General case' 0 N--CA 1.453 -0.287 0 N-CA-C 105.531 -2.025 . . . . 0.0 105.531 145.767 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 2.4 m -155.75 141.42 17.92 Favored 'General case' 0 N--CA 1.45 -0.456 0 N-CA-C 108.792 -0.818 . . . . 0.0 108.792 -174.375 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 89.3 m-85 47.69 46.63 18.14 Favored 'General case' 0 CA--C 1.537 0.454 0 C-N-CA 123.702 0.801 . . . . 0.0 110.935 -172.107 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 57.33 14.42 12.67 Favored Glycine 0 CA--C 1.536 1.378 0 C-N-CA 124.421 1.01 . . . . 0.0 114.25 -179.868 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 35.4 m -117.51 129.31 55.72 Favored 'General case' 0 N--CA 1.448 -0.549 0 C-N-CA 125.91 1.684 . . . . 0.0 106.948 -174.118 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 25' ' ' CYS . . . . . . . . . . . . 0.254 0.0 OUTLIER -85.03 86.96 7.34 Favored 'General case' 0 CA--C 1.534 0.337 0 N-CA-C 106.636 -1.616 . . . . 0.0 106.636 172.016 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 69.2 m-85 -68.03 132.6 47.57 Favored 'General case' 0 N--CA 1.45 -0.443 0 CA-C-N 114.455 -1.248 . . . . 0.0 107.811 177.165 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 27' ' ' CYS . . . . . 0.539 ' HA ' ' HA ' ' A' ' 17' ' ' PRO . 36.1 m -109.28 140.44 42.92 Favored 'General case' 0 C--N 1.341 0.234 0 CA-C-N 118.477 0.58 . . . . 0.0 111.123 175.745 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 4.8 tmtt? -73.6 -39.79 64.33 Favored 'General case' 0 C--N 1.341 0.208 0 N-CA-C 110.148 -0.315 . . . . 0.0 110.148 -168.819 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 71.0 p -126.82 -135.51 0.25 Allowed 'General case' 0 CA--C 1.537 0.449 0 N-CA-C 107.094 -1.447 . . . . 0.0 107.094 170.271 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 1.6 m -73.35 67.43 1.01 Allowed 'General case' 0 CA--C 1.536 0.408 0 C-N-CA 125.074 1.349 . . . . 0.0 111.227 -174.386 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 31' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.33 -0.262 0 O-C-N 121.328 -0.858 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 021 nuclear build full ' A' A ' 1' ' ' PCA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.34 0 N-CA-C 108.766 -0.828 . . . . 0.0 108.766 . . . . . . . . . 0 0 . 1 . 021 nuclear build full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 37.1 p -154.78 164.85 38.2 Favored 'General case' 0 N--CA 1.437 -1.095 0 N-CA-C 103.975 -2.602 . . . . 0.0 103.975 -178.18 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 86.4 mt-30 -62.93 -42.53 99.83 Favored 'General case' 0 C--N 1.324 -0.543 0 C-N-CA 123.236 0.614 . . . . 0.0 110.199 168.239 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 7.1 p -133.3 142.01 48.27 Favored 'General case' 0 CA--C 1.513 -0.443 0 C-N-CA 125.04 1.336 . . . . 0.0 110.02 -170.852 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 32.7 mt-30 -73.05 -34.91 66.58 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.139 -0.937 . . . . 0.0 109.594 174.024 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 4.4 m -173.1 171.82 4.05 Favored 'General case' 0 CA--C 1.53 0.182 0 C-N-CA 126.311 1.845 . . . . 0.0 106.76 -174.338 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 9.6 p -45.97 -39.52 3.27 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.405 0 C-N-CA 124.481 1.112 . . . . 0.0 113.01 -177.464 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 3.9 mpt_? -44.53 -45.14 9.16 Favored 'General case' 0 N--CA 1.464 0.245 0 C-N-CA 124.353 1.061 . . . . 0.0 112.152 174.804 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 3.2 m-20 -62.5 -43.69 98.19 Favored 'General case' 0 N--CA 1.45 -0.472 0 N-CA-C 109.87 -0.419 . . . . 0.0 109.87 -179.381 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 10' ' ' CYS . . . . . 0.475 ' SG ' ' HB3' ' A' ' 17' ' ' PRO . 0.2 OUTLIER -64.81 -35.56 81.48 Favored 'General case' 0 C--O 1.217 -0.642 0 C-N-CA 117.27 -1.772 . . . . 0.0 111.378 171.586 . . . . . . . . 3 3 . 1 . 021 nuclear build full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 43.1 mt-30 -61.13 -39.12 88.85 Favored 'General case' 0 CA--C 1.533 0.291 0 CA-C-N 120.401 1.455 . . . . 0.0 110.003 -178.688 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 5.0 mt-30 -56.03 -44.27 78.59 Favored 'General case' 0 CA--C 1.538 0.497 0 N-CA-C 110.092 -0.336 . . . . 0.0 110.092 170.93 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 17.9 t80 -73.39 -39.78 64.84 Favored 'General case' 0 CA--C 1.539 0.527 0 N-CA-C 114.509 1.3 . . . . 0.0 114.509 -175.017 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 9.1 m -137.45 137.39 38.69 Favored 'General case' 0 N--CA 1.464 0.228 0 C-N-CA 126.657 1.983 . . . . 0.0 109.851 -160.186 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 3.6 mm? -64.65 -25.92 68.16 Favored 'General case' 0 CA--C 1.534 0.334 0 C-N-CA 123.243 0.617 . . . . 0.0 111.585 179.059 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 12.5 m -150.16 81.25 6.87 Favored Pre-proline 0 C--O 1.235 0.315 0 O-C-N 121.294 -0.879 . . . . 0.0 111.285 177.643 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 17' ' ' PRO . . . . . 0.518 ' HA ' ' HA ' ' A' ' 27' ' ' CYS . 4.6 Cg_endo -63.01 150.95 87.14 Favored 'Trans proline' 0 N--CA 1.431 -2.188 0 C-N-CA 121.448 1.432 . . . . 0.0 112.541 175.546 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 8.3 t70 -80.47 -60.03 2.47 Favored 'General case' 0 N--CA 1.449 -0.476 0 N-CA-C 106.564 -1.643 . . . . 0.0 106.564 170.95 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 9.0 ptt-85 -160.62 154.55 22.75 Favored 'General case' 0 N--CA 1.442 -0.869 0 C-N-CA 122.371 0.268 . . . . 0.0 110.393 -177.783 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 54.0 t -91.98 108.96 20.31 Favored 'General case' 0 C--N 1.334 -0.101 0 N-CA-C 105.475 -2.046 . . . . 0.0 105.475 152.664 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 3.6 m -162.23 147.86 12.92 Favored 'General case' 0 N--CA 1.452 -0.331 0 N-CA-C 108.436 -0.95 . . . . 0.0 108.436 -167.108 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 75.1 m-85 51.17 39.83 24.5 Favored 'General case' 0 CA--C 1.539 0.521 0 C-N-CA 123.251 0.62 . . . . 0.0 110.346 -171.073 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 56.06 16.45 13.48 Favored Glycine 0 CA--C 1.533 1.172 0 C-N-CA 124.125 0.869 . . . . 0.0 114.224 -176.966 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 77.4 m -121.91 137.22 54.87 Favored 'General case' 0 N--CA 1.452 -0.352 0 C-N-CA 126.569 1.948 . . . . 0.0 107.41 -171.879 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -90.24 91.89 8.7 Favored 'General case' 0 CA--C 1.534 0.362 0 CA-C-O 123.119 1.438 . . . . 0.0 107.207 172.933 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 47.8 m-85 -71.77 129.48 38.75 Favored 'General case' 0 N--CA 1.451 -0.397 0 C-N-CA 124.937 1.295 . . . . 0.0 108.13 176.476 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 27' ' ' CYS . . . . . 0.518 ' HA ' ' HA ' ' A' ' 17' ' ' PRO . 34.4 m -106.61 141.45 37.87 Favored 'General case' 0 C--N 1.343 0.291 0 CA-C-N 118.606 0.639 . . . . 0.0 111.475 173.276 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 1.9 ttpm? -80.68 55.77 2.46 Favored 'General case' 0 N--CA 1.45 -0.445 0 C-N-CA 123.47 0.708 . . . . 0.0 110.747 -168.564 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 7.3 m -138.69 59.36 1.63 Allowed 'General case' 0 CA--C 1.531 0.224 0 C-N-CA 124.947 1.299 . . . . 0.0 107.701 -171.002 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 5.2 t -162.98 -52.25 0.04 OUTLIER 'General case' 0 CA--C 1.532 0.272 0 C-N-CA 123.497 0.719 . . . . 0.0 109.64 -178.132 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 31' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.333 -0.131 0 O-C-N 121.482 -0.762 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 022 nuclear build full ' A' A ' 1' ' ' PCA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.449 -0.486 0 N-CA-C 108.472 -0.936 . . . . 0.0 108.472 . . . . . . . . . 0 0 . 1 . 022 nuclear build full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 15.5 m -97.99 -120.42 0.13 Allowed 'General case' 0 CA--C 1.531 0.236 0 N-CA-C 106.486 -1.672 . . . . 0.0 106.486 169.079 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 78.2 mt-30 -66.45 -31.93 72.98 Favored 'General case' 0 CA--C 1.535 0.376 0 CA-C-N 118.861 0.755 . . . . 0.0 109.268 168.729 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 10.7 p -136.77 164.13 29.0 Favored 'General case' 0 N--CA 1.454 -0.241 0 C-N-CA 126.222 1.809 . . . . 0.0 107.845 168.28 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 2.9 tt0 -97.47 -41.19 8.31 Favored 'General case' 0 N--CA 1.45 -0.464 0 C-N-CA 125.656 1.583 . . . . 0.0 108.833 167.012 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 22.9 m -158.98 155.38 27.46 Favored 'General case' 0 C--O 1.223 -0.307 0 N-CA-C 108.634 -0.876 . . . . 0.0 108.634 -165.675 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 9.4 p -45.43 -36.63 1.93 Allowed 'Isoleucine or valine' 0 CA--C 1.536 0.406 0 N-CA-C 113.473 0.916 . . . . 0.0 113.473 -172.409 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 44.5 ttt85 -47.56 -41.44 21.46 Favored 'General case' 0 CA--C 1.537 0.45 0 C-N-CA 125.016 1.326 . . . . 0.0 113.306 175.586 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 52.1 m-20 -52.61 -52.93 53.05 Favored 'General case' 0 N--CA 1.45 -0.473 0 C-N-CA 124.16 0.984 . . . . 0.0 108.66 173.427 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 10' ' ' CYS . . . . . 0.486 ' HB3' ' CB ' ' A' ' 17' ' ' PRO . 0.1 OUTLIER -63.32 -36.39 83.55 Favored 'General case' 0 N--CA 1.445 -0.688 0 CA-C-O 117.94 -1.029 . . . . 0.0 111.851 175.157 . . . . . . . . 3 3 . 1 . 022 nuclear build full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 45.4 mt-30 -58.04 -34.15 69.75 Favored 'General case' 0 N--CA 1.466 0.345 0 CA-C-N 120.617 1.553 . . . . 0.0 110.728 -179.067 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 32.2 mt-30 -66.55 -45.72 78.44 Favored 'General case' 0 CA--C 1.535 0.399 0 O-C-N 122.155 -0.341 . . . . 0.0 110.364 171.786 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 22.9 t80 -67.24 -40.7 86.36 Favored 'General case' 0 CA--C 1.538 0.501 0 N-CA-C 114.263 1.208 . . . . 0.0 114.263 -174.665 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 13.0 m -137.08 138.89 40.87 Favored 'General case' 0 C--N 1.331 -0.221 0 C-N-CA 127.831 2.452 . . . . 0.0 108.685 -163.573 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -62.22 -46.84 87.06 Favored 'General case' 0 CA--C 1.534 0.352 0 N-CA-C 109.753 -0.462 . . . . 0.0 109.753 177.922 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 18.0 m -124.8 81.49 61.46 Favored Pre-proline 0 C--O 1.235 0.322 0 C-N-CA 123.427 0.691 . . . . 0.0 111.68 -178.457 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 17' ' ' PRO . . . . . 0.526 ' HA ' ' HA ' ' A' ' 27' ' ' CYS . 4.9 Cg_endo -68.05 161.2 45.31 Favored 'Trans proline' 0 N--CA 1.434 -2.022 0 C-N-CA 120.674 0.916 . . . . 0.0 113.356 174.573 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 14.3 t0 -87.97 -62.32 1.52 Allowed 'General case' 0 N--CA 1.448 -0.536 0 N-CA-C 107.224 -1.398 . . . . 0.0 107.224 171.6 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -161.84 156.07 22.16 Favored 'General case' 0 N--CA 1.45 -0.449 0 C-N-CA 123.918 0.887 . . . . 0.0 108.679 -176.064 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 52.8 t -84.39 113.7 21.36 Favored 'General case' 0 N--CA 1.455 -0.204 0 N-CA-C 105.554 -2.017 . . . . 0.0 105.554 146.715 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 2.5 m -159.33 147.14 17.44 Favored 'General case' 0 N--CA 1.449 -0.504 0 N-CA-C 108.665 -0.865 . . . . 0.0 108.665 -171.964 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 10.1 t80 55.48 30.06 14.44 Favored 'General case' 0 CA--C 1.54 0.57 0 C-N-CA 123.217 0.607 . . . . 0.0 111.837 -176.922 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 71.9 6.73 64.43 Favored Glycine 0 CA--C 1.536 1.396 0 CA-C-O 119.296 -0.724 . . . . 0.0 114.034 -178.558 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 23.3 m -120.54 139.03 53.52 Favored 'General case' 0 N--CA 1.454 -0.228 0 C-N-CA 126.596 1.959 . . . . 0.0 109.335 -176.676 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -81.94 92.14 6.69 Favored 'General case' 0 CA--C 1.532 0.267 0 N-CA-C 106.728 -1.582 . . . . 0.0 106.728 168.744 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 41.6 m-85 -69.85 124.68 24.63 Favored 'General case' 0 N--CA 1.449 -0.487 0 N-CA-C 106.908 -1.515 . . . . 0.0 106.908 175.767 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 27' ' ' CYS . . . . . 0.526 ' HA ' ' HA ' ' A' ' 17' ' ' PRO . 57.4 m -94.59 145.83 24.55 Favored 'General case' 0 C--N 1.34 0.174 0 CA-C-N 118.717 0.69 . . . . 0.0 110.031 172.681 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 11.5 ttmm -72.42 -50.67 24.7 Favored 'General case' 0 N--CA 1.448 -0.55 0 N-CA-C 107.086 -1.45 . . . . 0.0 107.086 178.668 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 1.2 m -75.86 48.7 0.49 Allowed 'General case' 0 CA--C 1.541 0.629 0 C-N-CA 124.248 1.019 . . . . 0.0 111.821 176.523 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 87.4 m -75.88 74.11 2.8 Favored 'General case' 0 CA--C 1.532 0.266 0 O-C-N 121.119 -0.988 . . . . 0.0 108.459 172.675 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 31' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.33 -0.239 0 O-C-N 122.013 -0.429 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 023 nuclear build full ' A' A ' 1' ' ' PCA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.428 0 N-CA-C 109.278 -0.638 . . . . 0.0 109.278 . . . . . . . . . 0 0 . 1 . 023 nuclear build full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 28.9 m -144.31 -111.7 0.11 Allowed 'General case' 0 C--N 1.331 -0.214 0 N-CA-C 107.445 -1.317 . . . . 0.0 107.445 174.794 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 82.8 mt-30 -59.06 -41.85 88.91 Favored 'General case' 0 N--CA 1.464 0.231 0 CA-C-N 119.207 0.912 . . . . 0.0 108.966 164.367 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 4' ' ' CYS . . . . . 0.433 ' HB2' ' HB2' ' A' ' 9' ' ' ASP . 13.5 p -138.32 166.47 24.14 Favored 'General case' 0 N--CA 1.446 -0.645 0 C-N-CA 126.907 2.083 . . . . 0.0 108.72 -177.164 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 6.8 tt0 -103.81 -38.76 6.91 Favored 'General case' 0 N--CA 1.451 -0.383 0 C-N-CA 126.955 2.102 . . . . 0.0 109.178 166.884 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 2.6 p -155.78 177.92 10.85 Favored 'General case' 0 CA--C 1.513 -0.458 0 CA-C-O 122.269 1.033 . . . . 0.0 110.685 179.441 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 8.8 p -54.12 -35.58 29.68 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.768 0 CA-C-N 115.419 -0.81 . . . . 0.0 112.051 -176.177 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -41.56 -45.66 3.37 Favored 'General case' 0 CA--C 1.536 0.405 0 C-N-CA 125.353 1.461 . . . . 0.0 112.796 170.204 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 9' ' ' ASP . . . . . 0.433 ' HB2' ' HB2' ' A' ' 4' ' ' CYS . 32.3 m-20 -61.24 -55.89 26.84 Favored 'General case' 0 N--CA 1.448 -0.568 0 N-CA-C 108.241 -1.022 . . . . 0.0 108.241 179.398 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 10' ' ' CYS . . . . . 0.5 ' SG ' ' HB3' ' A' ' 17' ' ' PRO . 0.1 OUTLIER -57.68 -35.76 71.03 Favored 'General case' 0 C--O 1.22 -0.489 0 C-N-CA 119.223 -0.991 . . . . 0.0 112.175 179.195 . . . . . . . . 3 3 . 1 . 023 nuclear build full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 39.8 mt-30 -56.67 -25.22 53.27 Favored 'General case' 0 CA--C 1.536 0.434 0 CA-C-N 119.512 1.051 . . . . 0.0 111.696 179.223 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 34.2 mt-30 -83.52 -44.17 14.97 Favored 'General case' 0 CA--C 1.532 0.273 0 C-N-CA 122.826 0.45 . . . . 0.0 109.918 174.675 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 83.5 m-85 -68.67 -25.28 64.73 Favored 'General case' 0 CA--C 1.544 0.744 0 N-CA-C 113.113 0.782 . . . . 0.0 113.113 -179.563 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 26.5 m -150.74 139.18 20.45 Favored 'General case' 0 N--CA 1.461 0.124 0 C-N-CA 125.89 1.676 . . . . 0.0 109.209 -165.283 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -63.82 -47.38 81.05 Favored 'General case' 0 CA--C 1.535 0.38 0 N-CA-C 109.635 -0.506 . . . . 0.0 109.635 177.088 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 7.2 m -125.64 76.52 69.9 Favored Pre-proline 0 CA--C 1.534 0.328 0 C-N-CA 123.385 0.674 . . . . 0.0 112.169 -174.977 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 17' ' ' PRO . . . . . 0.5 ' HB3' ' SG ' ' A' ' 10' ' ' CYS . 1.7 Cg_endo -65.0 153.68 77.12 Favored 'Trans proline' 0 N--CA 1.435 -1.937 0 C-N-CA 121.328 1.352 . . . . 0.0 113.449 177.757 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 14.0 t0 -88.38 -60.54 1.94 Allowed 'General case' 0 N--CA 1.451 -0.39 0 N-CA-C 106.905 -1.517 . . . . 0.0 106.905 174.594 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 1.9 ptt-85 -158.95 149.89 20.08 Favored 'General case' 0 N--CA 1.45 -0.443 0 C-N-CA 122.99 0.516 . . . . 0.0 109.874 176.613 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 46.5 t -82.1 113.05 19.7 Favored 'General case' 0 C--N 1.332 -0.194 0 N-CA-C 105.633 -1.988 . . . . 0.0 105.633 148.734 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 2.5 m -160.61 143.1 12.9 Favored 'General case' 0 N--CA 1.452 -0.357 0 N-CA-C 108.495 -0.928 . . . . 0.0 108.495 -170.425 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 88.7 m-85 49.72 43.15 24.41 Favored 'General case' 0 CA--C 1.538 0.496 0 C-N-CA 123.46 0.704 . . . . 0.0 111.118 -173.108 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 56.91 16.7 18.96 Favored Glycine 0 CA--C 1.536 1.362 0 C-N-CA 123.954 0.788 . . . . 0.0 113.978 -178.743 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 56.1 m -123.18 133.36 54.25 Favored 'General case' 0 N--CA 1.448 -0.557 0 C-N-CA 126.18 1.792 . . . . 0.0 107.1 -172.818 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 25' ' ' CYS . . . . . . . . . . . . 0.282 0.0 OUTLIER -90.96 88.05 6.86 Favored 'General case' 0 CA--C 1.535 0.39 0 CA-C-O 123.12 1.438 . . . . 0.0 107.67 175.407 . . . . . . . . 3 3 . 1 . 023 nuclear build full ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 56.3 m-85 -65.9 131.87 47.28 Favored 'General case' 0 N--CA 1.453 -0.31 0 C-N-CA 124.893 1.277 . . . . 0.0 108.044 176.677 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 27' ' ' CYS . . . . . 0.481 ' HA ' ' HA ' ' A' ' 17' ' ' PRO . 36.8 m -114.63 135.2 54.4 Favored 'General case' 0 CA--C 1.519 -0.239 0 C-N-CA 123.219 0.608 . . . . 0.0 111.085 178.334 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 7.0 tmtt? -79.05 64.95 4.1 Favored 'General case' 0 N--CA 1.453 -0.294 0 C-N-CA 124.848 1.259 . . . . 0.0 109.3 -167.04 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 37.2 p -124.45 -86.04 0.64 Allowed 'General case' 0 N--CA 1.449 -0.478 0 C-N-CA 125.634 1.574 . . . . 0.0 109.679 -165.151 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 30' ' ' THR . . . . . 0.637 ' HG1' ' N ' ' A' ' 31' ' ' NH2 . 8.9 t -162.76 -168.51 1.81 Allowed 'General case' 0 C--N 1.322 -0.588 0 C-N-CA 126.912 2.085 . . . . 0.0 108.111 178.133 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 31' ' ' NH2 . . . . . 0.637 ' N ' ' HG1' ' A' ' 30' ' ' THR . . . . . . . . 0 C--N 1.33 -0.276 0 O-C-N 122.16 -0.337 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 1' ' ' PCA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.454 0 N-CA-C 109.359 -0.608 . . . . 0.0 109.359 . . . . . . . . . 0 0 . 1 . 024 nuclear build full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 28.1 m -99.28 -113.25 0.17 Allowed 'General case' 0 CA--C 1.53 0.208 0 N-CA-C 106.691 -1.596 . . . . 0.0 106.691 168.921 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 81.7 mt-30 -60.59 -40.02 90.21 Favored 'General case' 0 N--CA 1.462 0.146 0 CA-C-N 119.153 0.888 . . . . 0.0 108.984 160.913 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 12.5 p -140.89 165.24 28.06 Favored 'General case' 0 N--CA 1.445 -0.713 0 C-N-CA 126.203 1.801 . . . . 0.0 108.575 -176.277 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -104.11 -36.98 7.51 Favored 'General case' 0 N--CA 1.448 -0.567 0 C-N-CA 126.738 2.015 . . . . 0.0 109.227 170.383 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 6.1 m -162.66 162.84 27.17 Favored 'General case' 0 C--O 1.222 -0.368 0 C-N-CA 124.044 0.937 . . . . 0.0 109.062 -174.149 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 9.1 p -47.56 -35.44 4.18 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.521 0 N-CA-C 113.692 0.997 . . . . 0.0 113.692 -172.01 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 8.5 mmp_? -36.92 -52.64 0.94 Allowed 'General case' 0 CA--C 1.535 0.367 0 C-N-CA 125.394 1.477 . . . . 0.0 112.793 168.896 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 33.6 m-20 -51.95 -55.77 18.32 Favored 'General case' 0 N--CA 1.447 -0.589 0 C-N-CA 124.858 1.263 . . . . 0.0 108.975 178.704 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 10' ' ' CYS . . . . . 0.462 ' SG ' ' HB3' ' A' ' 17' ' ' PRO . 0.1 OUTLIER -61.36 -37.77 84.56 Favored 'General case' 0 C--O 1.218 -0.587 0 C-N-CA 118.964 -1.094 . . . . 0.0 111.584 177.771 . . . . . . . . 3 3 . 1 . 024 nuclear build full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 87.5 mt-30 -60.53 -33.22 72.33 Favored 'General case' 0 CA--C 1.53 0.196 0 CA-C-N 119.466 1.03 . . . . 0.0 110.441 -178.09 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 27.4 mt-30 -64.38 -43.56 94.11 Favored 'General case' 0 CA--C 1.536 0.433 0 O-C-N 122.072 -0.392 . . . . 0.0 110.428 170.334 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 27.9 m-85 -81.4 -20.91 39.48 Favored 'General case' 0 CA--C 1.542 0.662 0 N-CA-C 115.435 1.643 . . . . 0.0 115.435 -174.942 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 16.8 m -148.15 137.48 22.13 Favored 'General case' 0 C--O 1.225 -0.192 0 C-N-CA 125.547 1.539 . . . . 0.0 108.474 -166.759 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -61.63 -49.36 76.89 Favored 'General case' 0 CA--C 1.533 0.325 0 N-CA-C 109.717 -0.475 . . . . 0.0 109.717 178.756 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 21.8 m -125.36 81.81 63.47 Favored Pre-proline 0 C--O 1.237 0.403 0 C-N-CA 123.482 0.713 . . . . 0.0 111.534 -178.979 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 17' ' ' PRO . . . . . 0.526 ' HA ' ' HA ' ' A' ' 27' ' ' CYS . 3.8 Cg_endo -65.99 157.49 59.1 Favored 'Trans proline' 0 N--CA 1.433 -2.066 0 C-N-CA 121.012 1.142 . . . . 0.0 112.451 173.691 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 31.1 t0 -83.62 -61.4 1.84 Allowed 'General case' 0 N--CA 1.448 -0.538 0 N-CA-C 107.048 -1.464 . . . . 0.0 107.048 167.806 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 1.2 ptt85 -162.1 154.53 19.58 Favored 'General case' 0 N--CA 1.449 -0.496 0 N-CA-C 109.313 -0.625 . . . . 0.0 109.313 -176.306 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 50.4 t -81.28 112.7 18.83 Favored 'General case' 0 N--CA 1.454 -0.272 0 N-CA-C 105.613 -1.995 . . . . 0.0 105.613 145.159 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 2.3 m -156.62 144.13 19.12 Favored 'General case' 0 N--CA 1.45 -0.447 0 O-C-N 121.353 -0.842 . . . . 0.0 109.062 -173.866 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 96.2 m-85 49.33 42.53 22.19 Favored 'General case' 0 CA--C 1.538 0.489 0 C-N-CA 123.44 0.696 . . . . 0.0 110.815 -171.176 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 55.62 17.93 15.05 Favored Glycine 0 CA--C 1.535 1.309 0 C-N-CA 124.109 0.861 . . . . 0.0 114.013 -178.27 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 57.2 m -121.93 133.87 54.85 Favored 'General case' 0 N--CA 1.449 -0.5 0 C-N-CA 126.416 1.886 . . . . 0.0 106.936 -173.572 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 25' ' ' CYS . . . . . . . . . . . . 0.263 0.0 OUTLIER -87.39 92.33 9.04 Favored 'General case' 0 CA--C 1.535 0.396 0 CA-C-O 122.836 1.303 . . . . 0.0 107.623 174.152 . . . . . . . . 3 3 . 1 . 024 nuclear build full ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 50.7 m-85 -70.45 130.02 40.8 Favored 'General case' 0 N--CA 1.452 -0.37 0 C-N-CA 124.713 1.205 . . . . 0.0 108.249 176.876 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 27' ' ' CYS . . . . . 0.526 ' HA ' ' HA ' ' A' ' 17' ' ' PRO . 33.2 m -111.8 141.94 44.79 Favored 'General case' 0 C--N 1.343 0.285 0 C-N-CA 123.275 0.63 . . . . 0.0 111.743 174.477 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 1.6 ttmt -76.29 -18.25 59.06 Favored 'General case' 0 N--CA 1.447 -0.576 0 C-N-CA 122.825 0.45 . . . . 0.0 111.914 -174.32 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 8.4 t -160.17 -154.09 0.37 Allowed 'General case' 0 N--CA 1.441 -0.919 0 N-CA-C 104.347 -2.464 . . . . 0.0 104.347 172.745 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 3.8 m -69.06 71.36 0.24 Allowed 'General case' 0 CA--C 1.536 0.442 0 C-N-CA 126.274 1.83 . . . . 0.0 111.469 -174.299 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 31' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.33 -0.265 0 O-C-N 121.402 -0.811 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 025 nuclear build full ' A' A ' 1' ' ' PCA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.356 0 CA-C-O 121.124 0.488 . . . . 0.0 110.242 . . . . . . . . . 0 0 . 1 . 025 nuclear build full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 15.5 m -144.08 -117.05 0.09 Allowed 'General case' 0 C--N 1.331 -0.237 0 N-CA-C 107.625 -1.25 . . . . 0.0 107.625 171.544 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 80.9 mt-30 -61.24 -29.39 69.81 Favored 'General case' 0 CA--C 1.53 0.197 0 CA-C-N 119.149 0.886 . . . . 0.0 110.305 169.848 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 4.6 p -137.29 153.55 50.28 Favored 'General case' 0 N--CA 1.449 -0.494 0 C-N-CA 125.71 1.604 . . . . 0.0 108.642 178.529 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 8.5 tt0 -78.9 -42.68 26.59 Favored 'General case' 0 N--CA 1.451 -0.404 0 C-N-CA 124.614 1.166 . . . . 0.0 109.611 166.671 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 5.8 m -170.18 174.33 5.43 Favored 'General case' 0 CA--C 1.53 0.187 0 C-N-CA 125.93 1.692 . . . . 0.0 107.109 -172.457 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 9.4 p -51.01 -33.13 12.72 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.53 0 C-N-CA 124.115 0.966 . . . . 0.0 113.092 -176.748 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 81.3 mtt-85 -46.99 -44.03 19.84 Favored 'General case' 0 CA--C 1.533 0.309 0 C-N-CA 123.622 0.769 . . . . 0.0 112.262 171.12 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -62.02 -49.7 75.0 Favored 'General case' 0 N--CA 1.451 -0.395 0 N-CA-C 109.253 -0.647 . . . . 0.0 109.253 -179.856 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 10' ' ' CYS . . . . . 0.474 ' SG ' ' HB3' ' A' ' 17' ' ' PRO . 0.1 OUTLIER -61.15 -34.95 75.84 Favored 'General case' 0 C--O 1.218 -0.573 0 C-N-CA 117.157 -1.817 . . . . 0.0 111.172 176.25 . . . . . . . . 3 3 . 1 . 025 nuclear build full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 40.7 mt-30 -59.98 -39.26 85.09 Favored 'General case' 0 CA--C 1.532 0.288 0 CA-C-N 119.841 1.201 . . . . 0.0 111.306 -178.126 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 18.1 pt20 -68.94 -28.19 66.42 Favored 'General case' 0 N--CA 1.444 -0.748 0 CA-C-N 119.184 0.902 . . . . 0.0 112.071 171.961 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 10.1 t80 -77.59 -36.72 51.65 Favored 'General case' 0 CA--C 1.539 0.539 0 N-CA-C 113.971 1.1 . . . . 0.0 113.971 -179.433 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 7.6 m -141.59 136.48 31.08 Favored 'General case' 0 N--CA 1.462 0.161 0 C-N-CA 127.054 2.141 . . . . 0.0 108.673 -163.271 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -66.61 -23.34 66.16 Favored 'General case' 0 CA--C 1.538 0.484 0 O-C-N 122.25 -0.281 . . . . 0.0 111.502 178.776 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 8.2 m -149.03 80.12 8.12 Favored Pre-proline 0 C--O 1.238 0.477 0 O-C-N 120.991 -1.068 . . . . 0.0 111.507 176.644 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 17' ' ' PRO . . . . . 0.514 ' HA ' ' HA ' ' A' ' 27' ' ' CYS . 6.8 Cg_endo -63.5 162.35 27.94 Favored 'Trans proline' 0 N--CA 1.432 -2.141 0 C-N-CA 122.139 1.892 . . . . 0.0 112.682 174.988 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 25.4 t0 -92.05 -60.69 1.79 Allowed 'General case' 0 N--CA 1.448 -0.566 0 N-CA-C 105.834 -1.913 . . . . 0.0 105.834 172.476 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 1.6 ptt85 -163.53 154.12 15.95 Favored 'General case' 0 N--CA 1.448 -0.552 0 N-CA-C 108.91 -0.774 . . . . 0.0 108.91 -177.999 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 53.3 t -82.23 111.69 18.55 Favored 'General case' 0 N--CA 1.454 -0.247 0 N-CA-C 105.381 -2.081 . . . . 0.0 105.381 146.629 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 2.4 m -156.56 144.32 19.34 Favored 'General case' 0 N--CA 1.449 -0.502 0 N-CA-C 108.686 -0.857 . . . . 0.0 108.686 -172.993 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 35.8 t80 51.22 42.41 28.85 Favored 'General case' 0 CA--C 1.538 0.512 0 CA-C-O 121.572 0.701 . . . . 0.0 110.963 -174.889 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 56.02 17.64 16.9 Favored Glycine 0 CA--C 1.536 1.402 0 C-N-CA 124.317 0.96 . . . . 0.0 114.231 -177.848 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 52.8 m -123.74 131.56 53.62 Favored 'General case' 0 N--CA 1.45 -0.452 0 C-N-CA 126.708 2.003 . . . . 0.0 107.237 -172.764 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 25' ' ' CYS . . . . . . . . . . . . 0.252 0.0 OUTLIER -85.05 90.87 7.95 Favored 'General case' 0 CA--C 1.535 0.385 0 N-CA-C 107.392 -1.336 . . . . 0.0 107.392 172.141 . . . . . . . . 3 3 . 1 . 025 nuclear build full ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 56.7 m-85 -70.6 135.84 48.74 Favored 'General case' 0 N--CA 1.452 -0.336 0 C-N-CA 124.866 1.267 . . . . 0.0 108.344 177.041 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 27' ' ' CYS . . . . . 0.514 ' HA ' ' HA ' ' A' ' 17' ' ' PRO . 13.0 m -121.47 152.15 39.44 Favored 'General case' 0 C--N 1.342 0.265 0 C-N-CA 123.88 0.872 . . . . 0.0 111.545 173.793 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 3.8 ptmm? -130.77 63.09 1.59 Allowed 'General case' 0 C--O 1.234 0.271 0 C-N-CA 123.472 0.709 . . . . 0.0 109.319 -176.852 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 8.0 t -164.65 142.84 6.7 Favored 'General case' 0 N--CA 1.441 -0.889 0 N-CA-C 104.172 -2.529 . . . . 0.0 104.172 176.901 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 30' ' ' THR . . . . . 0.607 ' HG1' ' N ' ' A' ' 31' ' ' NH2 . 10.7 t -167.78 -167.75 0.9 Allowed 'General case' 0 C--N 1.327 -0.397 0 C-N-CA 125.761 1.625 . . . . 0.0 107.3 -179.351 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 31' ' ' NH2 . . . . . 0.607 ' N ' ' HG1' ' A' ' 30' ' ' THR . . . . . . . . 0 C--N 1.329 -0.292 0 CA-C-N 117.687 0.221 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 85.3 mt-30 . . . . . 0 CA--C 1.533 0.312 0 N-CA-C 111.972 0.36 . . . . 0.0 111.972 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 22.0 p -136.57 159.37 42.0 Favored 'General case' 0 CA--C 1.514 -0.416 0 C-N-CA 124.684 1.194 . . . . 0.0 109.591 -176.285 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 91.0 mt-30 -99.08 -37.19 9.44 Favored 'General case' 0 N--CA 1.448 -0.528 0 C-N-CA 125.696 1.599 . . . . 0.0 109.043 171.668 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 23.0 m -160.22 164.69 32.56 Favored 'General case' 0 C--O 1.225 -0.232 0 N-CA-C 109.151 -0.685 . . . . 0.0 109.151 -171.224 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 9.8 p -47.69 -37.83 6.01 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.468 0 C-N-CA 123.748 0.819 . . . . 0.0 112.443 -178.433 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 8.6 tmm_? -29.14 -54.03 0.12 Allowed 'General case' 0 CA--C 1.534 0.36 0 C-N-CA 127.826 2.451 . . . . 0.0 113.345 165.207 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 66.8 m-20 -61.46 -47.77 84.19 Favored 'General case' 0 N--CA 1.445 -0.712 0 C-N-CA 125.125 1.37 . . . . 0.0 108.941 -177.708 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 10' ' ' CYS . . . . . 0.503 ' HB3' ' CB ' ' A' ' 17' ' ' PRO . 0.1 OUTLIER -66.82 -32.71 74.16 Favored 'General case' 0 N--CA 1.447 -0.61 0 C-N-CA 118.325 -1.35 . . . . 0.0 112.099 174.954 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 89.1 mt-30 -61.04 -38.14 85.11 Favored 'General case' 0 CA--C 1.53 0.204 0 CA-C-N 120.08 1.309 . . . . 0.0 110.788 -175.516 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 6.7 pt20 -71.24 -35.36 71.42 Favored 'General case' 0 N--CA 1.441 -0.881 0 O-C-N 121.612 -0.68 . . . . 0.0 111.546 171.043 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 17.3 t80 -67.69 -38.71 84.05 Favored 'General case' 0 CA--C 1.54 0.558 0 N-CA-C 114.063 1.134 . . . . 0.0 114.063 -179.593 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 19.2 m -143.28 138.47 29.58 Favored 'General case' 0 CA--C 1.52 -0.177 0 C-N-CA 127.289 2.235 . . . . 0.0 108.618 -162.176 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 3.9 mm? -63.73 -41.85 98.0 Favored 'General case' 0 CA--C 1.532 0.265 0 O-C-N 122.309 -0.244 . . . . 0.0 110.652 177.576 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 18.9 m -129.31 78.84 75.23 Favored Pre-proline 0 C--O 1.236 0.387 0 C-N-CA 123.138 0.575 . . . . 0.0 111.682 -178.831 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 17' ' ' PRO . . . . . 0.523 ' HA ' ' HA ' ' A' ' 27' ' ' CYS . 4.8 Cg_endo -65.38 159.4 47.67 Favored 'Trans proline' 0 N--CA 1.434 -1.997 0 C-N-CA 121.133 1.222 . . . . 0.0 112.668 175.382 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 17.3 t70 -92.41 -61.77 1.54 Allowed 'General case' 0 N--CA 1.448 -0.561 0 N-CA-C 107.677 -1.231 . . . . 0.0 107.677 172.316 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 2.4 ptt180 -158.04 148.7 20.69 Favored 'General case' 0 N--CA 1.445 -0.705 0 C-N-CA 122.674 0.39 . . . . 0.0 110.503 179.065 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 42.0 t -79.67 109.69 14.31 Favored 'General case' 0 N--CA 1.455 -0.178 0 N-CA-C 105.896 -1.89 . . . . 0.0 105.896 149.772 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 2.9 m -161.07 157.43 26.08 Favored 'General case' 0 N--CA 1.449 -0.519 0 N-CA-C 107.319 -1.363 . . . . 0.0 107.319 -173.717 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 16.1 t80 51.61 32.92 9.81 Favored 'General case' 0 CA--C 1.541 0.604 0 C-N-CA 123.128 0.571 . . . . 0.0 112.187 179.376 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 52.67 28.44 30.17 Favored Glycine 0 CA--C 1.533 1.172 0 C-N-CA 124.426 1.012 . . . . 0.0 113.901 -177.591 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 12.0 m -152.94 114.97 4.36 Favored 'General case' 0 C--O 1.226 -0.176 0 N-CA-C 107.315 -1.365 . . . . 0.0 107.315 -175.116 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 25' ' ' CYS . . . . . . . . . . . . 0.254 0.5 OUTLIER -72.94 103.47 3.76 Favored 'General case' 0 CA--C 1.536 0.413 0 CA-C-O 122.591 1.186 . . . . 0.0 110.024 -171.305 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 68.0 m-85 -69.58 132.74 46.7 Favored 'General case' 0 N--CA 1.448 -0.548 0 C-N-CA 125.993 1.717 . . . . 0.0 108.115 179.686 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 27' ' ' CYS . . . . . 0.523 ' HA ' ' HA ' ' A' ' 17' ' ' PRO . 36.8 m . . . . . 0 C--N 1.343 0.285 0 O-C-N 123.623 0.577 . . . . 0.0 111.264 173.869 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 81.0 mt-30 . . . . . 0 CA--C 1.531 0.223 0 N-CA-C 110.251 -0.277 . . . . 0.0 110.251 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 4.5 p -136.41 152.92 51.13 Favored 'General case' 0 N--CA 1.449 -0.48 0 C-N-CA 125.606 1.562 . . . . 0.0 108.774 178.846 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 8.3 tt0 -78.58 -42.08 30.09 Favored 'General case' 0 N--CA 1.452 -0.343 0 C-N-CA 124.733 1.213 . . . . 0.0 109.687 166.414 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 9.7 m -168.57 175.37 6.23 Favored 'General case' 0 CA--C 1.529 0.166 0 C-N-CA 126.419 1.888 . . . . 0.0 106.838 -174.782 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 7.9 p -49.03 -37.93 10.26 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.392 0 C-N-CA 123.683 0.793 . . . . 0.0 112.346 -177.988 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 48.0 ttt85 -47.18 -40.03 15.08 Favored 'General case' 0 CA--C 1.533 0.317 0 C-N-CA 125.117 1.367 . . . . 0.0 112.493 174.63 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -63.83 -47.92 78.89 Favored 'General case' 0 N--CA 1.454 -0.238 0 N-CA-C 109.126 -0.694 . . . . 0.0 109.126 176.771 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 10' ' ' CYS . . . . . 0.472 ' HB3' ' CB ' ' A' ' 17' ' ' PRO . 0.1 OUTLIER -60.25 -33.53 72.42 Favored 'General case' 0 N--CA 1.448 -0.569 0 C-N-CA 117.536 -1.666 . . . . 0.0 111.072 175.372 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 40.9 mt-30 -57.33 -35.89 70.46 Favored 'General case' 0 CA--C 1.536 0.41 0 CA-C-N 120.105 1.321 . . . . 0.0 111.795 -179.075 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 16.2 pt20 -75.6 -29.16 59.17 Favored 'General case' 0 N--CA 1.446 -0.672 0 CA-C-N 119.246 0.93 . . . . 0.0 111.644 172.356 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 4.3 t80 -73.97 -35.89 64.52 Favored 'General case' 0 CA--C 1.542 0.672 0 C-N-CA 124.246 1.018 . . . . 0.0 113.51 -179.734 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 10.3 m -145.89 139.07 26.02 Favored 'General case' 0 N--CA 1.462 0.132 0 C-N-CA 127.19 2.196 . . . . 0.0 107.965 -163.282 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 3.9 mm? -63.17 -41.95 99.32 Favored 'General case' 0 CA--C 1.532 0.287 0 CA-C-O 119.636 -0.221 . . . . 0.0 110.485 176.548 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 14.2 m -130.54 77.64 75.49 Favored Pre-proline 0 CA--C 1.537 0.467 0 C-N-CA 123.075 0.55 . . . . 0.0 111.991 -177.607 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 17' ' ' PRO . . . . . 0.507 ' HA ' ' HA ' ' A' ' 27' ' ' CYS . 5.3 Cg_endo -65.04 160.22 42.72 Favored 'Trans proline' 0 N--CA 1.436 -1.903 0 C-N-CA 121.467 1.445 . . . . 0.0 112.814 176.052 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 27.9 t70 -96.58 -61.36 1.43 Allowed 'General case' 0 N--CA 1.449 -0.49 0 C-N-CA 125.525 1.53 . . . . 0.0 107.401 175.269 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 11.1 ptt180 -158.31 150.95 22.23 Favored 'General case' 0 N--CA 1.44 -0.944 0 C-N-CA 122.623 0.369 . . . . 0.0 110.132 -179.613 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 47.7 t -87.37 110.58 20.35 Favored 'General case' 0 C--N 1.333 -0.144 0 N-CA-C 105.552 -2.018 . . . . 0.0 105.552 151.872 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 3.3 m -160.73 145.08 13.93 Favored 'General case' 0 N--CA 1.45 -0.468 0 N-CA-C 108.097 -1.075 . . . . 0.0 108.097 -169.206 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 79.6 m-85 50.24 41.31 23.98 Favored 'General case' 0 CA--C 1.536 0.41 0 C-N-CA 123.186 0.595 . . . . 0.0 110.767 -172.013 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 55.05 19.43 15.44 Favored Glycine 0 CA--C 1.536 1.354 0 C-N-CA 124.258 0.932 . . . . 0.0 114.069 -178.015 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 62.5 m -124.2 136.19 53.99 Favored 'General case' 0 N--CA 1.45 -0.428 0 C-N-CA 126.595 1.958 . . . . 0.0 107.057 -173.36 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 25' ' ' CYS . . . . . . . . . . . . 0.271 0.1 OUTLIER -92.17 87.87 6.27 Favored 'General case' 0 CA--C 1.537 0.462 0 CA-C-O 122.961 1.362 . . . . 0.0 107.932 175.013 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 39.1 m-85 -64.88 137.49 57.79 Favored 'General case' 0 N--CA 1.454 -0.24 0 C-N-CA 125.081 1.352 . . . . 0.0 108.399 175.984 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 27' ' ' CYS . . . . . 0.507 ' HA ' ' HA ' ' A' ' 17' ' ' PRO . 18.0 m . . . . . 0 C--N 1.343 0.296 0 C-N-CA 123.749 0.82 . . . . 0.0 111.663 174.758 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 85.5 mt-30 . . . . . 0 N--CA 1.457 -0.113 0 N-CA-C 110.067 -0.345 . . . . 0.0 110.067 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 24.7 p -145.1 160.06 42.0 Favored 'General case' 0 N--CA 1.449 -0.49 0 C-N-CA 124.838 1.255 . . . . 0.0 109.949 -168.226 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 34.7 mt-30 -108.85 -25.21 10.9 Favored 'General case' 0 N--CA 1.45 -0.428 0 C-N-CA 125.558 1.543 . . . . 0.0 110.47 173.814 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 11.0 m -162.39 156.67 21.55 Favored 'General case' 0 C--O 1.222 -0.391 0 N-CA-C 108.467 -0.938 . . . . 0.0 108.467 -175.558 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 7.8 p -49.61 -32.6 7.06 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.511 0 N-CA-C 113.179 0.807 . . . . 0.0 113.179 -175.008 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 82.7 mtt85 -46.19 -42.44 14.08 Favored 'General case' 0 CA--C 1.535 0.393 0 C-N-CA 124.668 1.187 . . . . 0.0 112.81 172.894 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 64.2 m-20 -55.0 -52.56 62.73 Favored 'General case' 0 N--CA 1.447 -0.602 0 N-CA-C 108.17 -1.048 . . . . 0.0 108.17 174.665 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 10' ' ' CYS . . . . . 0.449 ' HB3' ' CB ' ' A' ' 17' ' ' PRO . 0.1 OUTLIER -61.11 -36.38 79.57 Favored 'General case' 0 C--O 1.219 -0.514 0 C-N-CA 118.709 -1.196 . . . . 0.0 112.277 174.746 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 39.3 mt-30 -57.42 -37.94 73.57 Favored 'General case' 0 CA--C 1.531 0.239 0 CA-C-N 120.153 1.342 . . . . 0.0 110.815 179.742 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -69.97 -28.44 65.54 Favored 'General case' 0 N--CA 1.446 -0.658 0 O-C-N 121.487 -0.758 . . . . 0.0 110.992 174.163 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 5.8 t80 -80.25 -34.63 36.95 Favored 'General case' 0 CA--C 1.539 0.553 0 C-N-CA 124.443 1.097 . . . . 0.0 113.48 -177.156 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 8.1 m -145.89 139.62 26.42 Favored 'General case' 0 CA--C 1.52 -0.197 0 C-N-CA 126.414 1.886 . . . . 0.0 108.899 -162.614 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 4.0 mm? -61.76 -42.75 99.39 Favored 'General case' 0 CA--C 1.531 0.221 0 N-CA-C 110.187 -0.301 . . . . 0.0 110.187 173.699 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 5.9 m -129.13 72.0 81.99 Favored Pre-proline 0 C--O 1.237 0.442 0 N-CA-C 112.115 0.413 . . . . 0.0 112.115 -172.064 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 17' ' ' PRO . . . . . 0.533 ' HA ' ' HA ' ' A' ' 27' ' ' CYS . 2.1 Cg_endo -66.46 173.85 7.11 Favored 'Trans proline' 0 N--CA 1.431 -2.155 0 CA-C-O 122.765 1.069 . . . . 0.0 113.287 -179.29 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 9.7 t70 -104.84 -61.96 1.4 Allowed 'General case' 0 N--CA 1.44 -0.959 0 CA-C-N 114.558 -1.201 . . . . 0.0 108.175 170.229 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -162.34 152.0 16.06 Favored 'General case' 0 N--CA 1.445 -0.684 0 N-CA-C 108.126 -1.064 . . . . 0.0 108.126 -175.932 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 52.4 t -77.58 110.92 12.8 Favored 'General case' 0 N--CA 1.448 -0.555 0 N-CA-C 105.711 -1.959 . . . . 0.0 105.711 146.009 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 2.1 m -152.62 142.4 22.0 Favored 'General case' 0 N--CA 1.449 -0.521 0 N-CA-C 108.8 -0.815 . . . . 0.0 108.8 -174.182 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 72.8 m-85 50.43 42.16 25.89 Favored 'General case' 0 CA--C 1.537 0.456 0 C-N-CA 123.773 0.829 . . . . 0.0 110.87 -170.346 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 55.48 18.34 15.11 Favored Glycine 0 CA--C 1.534 1.227 0 C-N-CA 124.145 0.879 . . . . 0.0 113.883 -178.288 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 56.6 m -123.46 136.44 54.59 Favored 'General case' 0 N--CA 1.45 -0.466 0 C-N-CA 126.589 1.956 . . . . 0.0 106.29 -174.13 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 25' ' ' CYS . . . . . . . . . . . . 0.261 0.0 OUTLIER -85.82 91.78 8.43 Favored 'General case' 0 CA--C 1.534 0.338 0 N-CA-C 107.338 -1.356 . . . . 0.0 107.338 174.342 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 13.5 m-85 -64.19 130.03 42.31 Favored 'General case' 0 N--CA 1.451 -0.375 0 N-CA-C 106.988 -1.486 . . . . 0.0 106.988 172.889 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 27' ' ' CYS . . . . . 0.533 ' HA ' ' HA ' ' A' ' 17' ' ' PRO . 11.1 m . . . . . 0 CA--C 1.514 -0.419 0 CA-C-N 118.202 0.455 . . . . 0.0 110.462 166.264 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 77.0 mt-30 . . . . . 0 CA--C 1.53 0.204 0 N-CA-C 111.628 0.233 . . . . 0.0 111.628 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 12.5 p -146.24 157.0 43.78 Favored 'General case' 0 N--CA 1.45 -0.432 0 C-N-CA 124.892 1.277 . . . . 0.0 108.664 -178.315 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 20.8 tt0 -90.59 -40.99 11.61 Favored 'General case' 0 N--CA 1.446 -0.648 0 C-N-CA 125.965 1.706 . . . . 0.0 108.098 171.733 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 13.1 m -162.97 170.29 18.32 Favored 'General case' 0 C--O 1.224 -0.289 0 N-CA-C 108.819 -0.808 . . . . 0.0 108.819 -170.299 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 7.6 p -50.64 -34.14 12.26 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.583 0 O-C-N 121.313 -0.867 . . . . 0.0 112.455 179.739 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 17.6 mtm105 -39.95 -45.12 1.82 Allowed 'General case' 0 N--CA 1.467 0.388 0 C-N-CA 125.627 1.571 . . . . 0.0 113.08 170.432 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 40.3 m-20 -61.74 -55.77 26.71 Favored 'General case' 0 N--CA 1.449 -0.52 0 C-N-CA 124.238 1.015 . . . . 0.0 108.655 178.965 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 10' ' ' CYS . . . . . 0.476 ' HB3' ' CB ' ' A' ' 17' ' ' PRO . 0.1 OUTLIER -59.9 -33.16 71.48 Favored 'General case' 0 C--O 1.218 -0.564 0 C-N-CA 118.898 -1.121 . . . . 0.0 111.809 178.737 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 40.9 mt-30 -59.71 -26.26 65.47 Favored 'General case' 0 CA--C 1.533 0.305 0 CA-C-N 120.147 1.339 . . . . 0.0 111.323 -179.226 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 33.9 mt-30 -78.79 -42.45 27.83 Favored 'General case' 0 CA--C 1.532 0.272 0 N-CA-C 109.43 -0.582 . . . . 0.0 109.43 173.071 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 27.3 t80 -65.15 -40.97 95.1 Favored 'General case' 0 CA--C 1.536 0.433 0 N-CA-C 113.722 1.008 . . . . 0.0 113.722 -177.576 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 14.0 m -136.64 139.73 42.25 Favored 'General case' 0 C--N 1.332 -0.189 0 C-N-CA 127.499 2.32 . . . . 0.0 108.791 -164.929 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -61.66 -47.77 83.85 Favored 'General case' 0 CA--C 1.534 0.34 0 N-CA-C 109.476 -0.565 . . . . 0.0 109.476 175.095 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 24.2 m -125.2 84.45 59.5 Favored Pre-proline 0 C--O 1.24 0.58 0 C-N-CA 123.553 0.741 . . . . 0.0 110.923 -178.958 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 17' ' ' PRO . . . . . 0.558 ' HA ' ' HA ' ' A' ' 27' ' ' CYS . 6.7 Cg_endo -69.22 161.36 46.17 Favored 'Trans proline' 0 N--CA 1.436 -1.899 0 C-N-CA 121.749 1.633 . . . . 0.0 113.045 172.245 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 25.7 t0 -93.84 -62.28 1.38 Allowed 'General case' 0 N--CA 1.45 -0.455 0 C-N-CA 125.205 1.402 . . . . 0.0 107.422 173.976 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 3.9 ptt180 -158.65 154.4 26.39 Favored 'General case' 0 N--CA 1.444 -0.767 0 C-N-CA 123.592 0.757 . . . . 0.0 110.058 -179.655 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 43.6 t -88.13 111.5 21.65 Favored 'General case' 0 C--N 1.332 -0.165 0 N-CA-C 105.528 -2.027 . . . . 0.0 105.528 150.787 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 3.0 m -163.08 153.44 16.21 Favored 'General case' 0 N--CA 1.45 -0.441 0 C-N-CA 123.536 0.734 . . . . 0.0 109.175 -168.965 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 8.9 t80 51.0 37.61 18.21 Favored 'General case' 0 CA--C 1.539 0.538 0 C-N-CA 123.407 0.683 . . . . 0.0 111.46 -179.839 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 53.58 40.38 62.55 Favored Glycine 0 CA--C 1.531 1.069 0 C-N-CA 124.054 0.835 . . . . 0.0 112.84 -175.785 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 17.1 m -152.36 146.84 25.66 Favored 'General case' 0 N--CA 1.455 -0.183 0 N-CA-C 107.803 -1.184 . . . . 0.0 107.803 -179.727 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 25' ' ' CYS . . . . . . . . . . . . 0.267 0.1 OUTLIER -94.75 92.88 7.2 Favored 'General case' 0 CA--C 1.534 0.336 0 CA-C-O 122.903 1.335 . . . . 0.0 108.023 173.209 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 7.6 m-85 -67.64 134.78 51.75 Favored 'General case' 0 N--CA 1.453 -0.314 0 C-N-CA 125.695 1.598 . . . . 0.0 107.641 177.367 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 27' ' ' CYS . . . . . 0.558 ' HA ' ' HA ' ' A' ' 17' ' ' PRO . 26.7 m . . . . . 0 C--N 1.343 0.311 0 CA-C-N 118.89 0.768 . . . . 0.0 112.188 172.32 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 82.2 mt-30 . . . . . 0 CA--C 1.531 0.243 0 CA-C-O 121.158 0.504 . . . . 0.0 110.0 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 9.0 p -139.83 164.2 30.6 Favored 'General case' 0 N--CA 1.449 -0.486 0 C-N-CA 126.396 1.878 . . . . 0.0 108.729 -174.938 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 24.9 tt0 -101.44 -37.16 8.56 Favored 'General case' 0 N--CA 1.451 -0.398 0 C-N-CA 125.838 1.655 . . . . 0.0 109.452 169.591 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 1.8 p -154.19 172.87 16.91 Favored 'General case' 0 CA--C 1.511 -0.525 0 CA-C-O 122.057 0.932 . . . . 0.0 110.759 179.368 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 9.9 p -51.47 -35.38 16.52 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.691 0 CA-C-N 115.263 -0.88 . . . . 0.0 111.767 -176.65 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 99.2 mtt180 -51.12 -41.19 59.88 Favored 'General case' 0 CA--C 1.533 0.298 0 C-N-CA 125.436 1.495 . . . . 0.0 112.81 176.758 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 35.2 m-20 -56.06 -52.63 63.59 Favored 'General case' 0 N--CA 1.45 -0.452 0 N-CA-C 108.191 -1.04 . . . . 0.0 108.191 173.908 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 10' ' ' CYS . . . . . 0.462 ' HB3' ' CB ' ' A' ' 17' ' ' PRO . 0.1 OUTLIER -62.36 -33.13 74.12 Favored 'General case' 0 C--O 1.216 -0.684 0 C-N-CA 118.709 -1.197 . . . . 0.0 111.75 177.15 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 40.7 mt-30 -59.71 -28.28 67.19 Favored 'General case' 0 CA--C 1.534 0.347 0 CA-C-N 120.34 1.427 . . . . 0.0 110.798 -179.097 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 34.2 mt-30 -73.2 -44.93 58.97 Favored 'General case' 0 CA--C 1.533 0.32 0 O-C-N 122.011 -0.431 . . . . 0.0 110.027 170.719 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 23.1 t80 -64.2 -37.72 88.49 Favored 'General case' 0 CA--C 1.537 0.455 0 N-CA-C 114.023 1.12 . . . . 0.0 114.023 -176.714 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 19.8 m -141.62 138.86 32.87 Favored 'General case' 0 C--N 1.332 -0.182 0 C-N-CA 127.889 2.476 . . . . 0.0 108.075 -164.126 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -63.4 -44.8 93.61 Favored 'General case' 0 CA--C 1.535 0.397 0 N-CA-C 109.903 -0.406 . . . . 0.0 109.903 176.999 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 23.4 m -127.03 79.96 72.21 Favored Pre-proline 0 CA--C 1.536 0.425 0 C-N-CA 123.413 0.685 . . . . 0.0 111.902 -178.979 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 17' ' ' PRO . . . . . 0.505 ' HA ' ' HA ' ' A' ' 27' ' ' CYS . 6.9 Cg_endo -64.0 158.83 45.45 Favored 'Trans proline' 0 N--CA 1.434 -1.992 0 C-N-CA 122.117 1.878 . . . . 0.0 112.448 173.286 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 29.7 t0 -87.37 -61.43 1.72 Allowed 'General case' 0 N--CA 1.446 -0.636 0 N-CA-C 106.227 -1.768 . . . . 0.0 106.227 171.79 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -162.51 153.12 17.02 Favored 'General case' 0 N--CA 1.449 -0.484 0 N-CA-C 109.151 -0.685 . . . . 0.0 109.151 -177.007 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 52.6 t -83.76 111.46 19.19 Favored 'General case' 0 N--CA 1.454 -0.238 0 N-CA-C 105.498 -2.038 . . . . 0.0 105.498 146.359 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 3.1 m -159.56 153.57 23.34 Favored 'General case' 0 N--CA 1.45 -0.472 0 N-CA-C 108.256 -1.016 . . . . 0.0 108.256 -171.977 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 16.3 t80 50.83 37.73 17.9 Favored 'General case' 0 CA--C 1.539 0.538 0 CA-C-O 121.488 0.661 . . . . 0.0 111.487 -178.026 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 51.92 41.75 52.56 Favored Glycine 0 CA--C 1.532 1.103 0 C-N-CA 123.638 0.637 . . . . 0.0 112.238 -174.695 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 4.5 m -152.78 139.63 19.03 Favored 'General case' 0 N--CA 1.453 -0.276 0 O-C-N 121.484 -1.01 . . . . 0.0 108.468 -174.49 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 25' ' ' CYS . . . . . . . . . . . . 0.28 0.0 OUTLIER -92.48 90.75 7.31 Favored 'General case' 0 CA--C 1.535 0.403 0 CA-C-O 122.99 1.376 . . . . 0.0 108.305 176.318 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 66.5 m-85 -72.61 139.79 47.62 Favored 'General case' 0 N--CA 1.452 -0.347 0 C-N-CA 125.931 1.692 . . . . 0.0 108.972 178.852 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 27' ' ' CYS . . . . . 0.505 ' HA ' ' HA ' ' A' ' 17' ' ' PRO . 20.6 m . . . . . 0 C--N 1.344 0.341 0 C-N-CA 123.748 0.819 . . . . 0.0 112.501 177.596 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 86.6 mt-30 . . . . . 0 CA--C 1.529 0.135 0 CA-C-O 121.098 0.475 . . . . 0.0 109.926 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 4' ' ' CYS . . . . . 0.471 ' HB2' ' HB2' ' A' ' 9' ' ' ASP . 19.2 p -139.5 153.89 47.59 Favored 'General case' 0 N--CA 1.448 -0.568 0 C-N-CA 125.649 1.58 . . . . 0.0 109.156 -172.837 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 76.5 mt-30 -98.77 -31.67 11.76 Favored 'General case' 0 N--CA 1.449 -0.485 0 C-N-CA 125.404 1.482 . . . . 0.0 109.118 171.717 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 1.9 p -157.69 174.52 15.21 Favored 'General case' 0 CA--C 1.509 -0.616 0 CA-C-O 122.172 0.987 . . . . 0.0 110.435 179.085 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 9.3 p -51.55 -35.13 16.51 Favored 'Isoleucine or valine' 0 N--CA 1.443 -0.805 0 CA-C-N 114.881 -1.054 . . . . 0.0 111.422 -179.173 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 99.5 mtt180 -42.06 -50.16 4.7 Favored 'General case' 0 CA--C 1.534 0.343 0 C-N-CA 126.121 1.769 . . . . 0.0 112.574 172.256 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 9' ' ' ASP . . . . . 0.471 ' HB2' ' HB2' ' A' ' 4' ' ' CYS . 33.1 m-20 -58.27 -51.32 70.28 Favored 'General case' 0 N--CA 1.447 -0.621 0 C-N-CA 124.092 0.957 . . . . 0.0 108.493 -179.692 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 10' ' ' CYS . . . . . 0.492 ' SG ' ' HB3' ' A' ' 17' ' ' PRO . 0.3 OUTLIER -60.67 -38.7 85.79 Favored 'General case' 0 C--O 1.22 -0.478 0 C-N-CA 118.604 -1.239 . . . . 0.0 111.087 176.015 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 41.3 mt-30 -58.1 -38.39 76.34 Favored 'General case' 0 N--CA 1.463 0.184 0 CA-C-N 119.663 1.12 . . . . 0.0 110.004 -179.074 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -60.08 -43.24 95.63 Favored 'General case' 0 CA--C 1.534 0.352 0 O-C-N 121.96 -0.462 . . . . 0.0 110.638 172.877 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 26.0 m-85 -80.14 -22.13 42.39 Favored 'General case' 0 CA--C 1.543 0.71 0 N-CA-C 114.782 1.401 . . . . 0.0 114.782 -176.695 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 24.4 m -150.06 135.85 18.48 Favored 'General case' 0 N--CA 1.463 0.199 0 C-N-CA 125.486 1.514 . . . . 0.0 109.205 -165.436 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 4.0 mm? -63.36 -42.03 98.87 Favored 'General case' 0 CA--C 1.533 0.307 0 CA-C-O 119.563 -0.256 . . . . 0.0 110.749 177.372 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 19.1 m -128.53 78.77 75.33 Favored Pre-proline 0 CA--C 1.535 0.403 0 C-N-CA 123.091 0.556 . . . . 0.0 111.91 -177.64 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 17' ' ' PRO . . . . . 0.492 ' HB3' ' SG ' ' A' ' 10' ' ' CYS . 1.5 Cg_endo -64.46 153.22 78.2 Favored 'Trans proline' 0 N--CA 1.433 -2.041 0 C-N-CA 120.849 1.032 . . . . 0.0 113.372 176.619 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 30.7 t0 -78.69 -60.67 2.28 Favored 'General case' 0 N--CA 1.447 -0.58 0 N-CA-C 106.314 -1.735 . . . . 0.0 106.314 169.526 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 1.2 ptt85 -162.21 160.75 27.39 Favored 'General case' 0 N--CA 1.451 -0.382 0 N-CA-C 108.553 -0.906 . . . . 0.0 108.553 -177.756 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 43.3 t -89.0 118.15 28.52 Favored 'General case' 0 N--CA 1.454 -0.263 0 N-CA-C 105.25 -2.13 . . . . 0.0 105.25 143.453 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 2.1 m -158.64 144.99 17.08 Favored 'General case' 0 N--CA 1.45 -0.451 0 CA-C-N 118.837 0.744 . . . . 0.0 108.998 -171.601 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 94.8 m-85 49.29 43.77 23.15 Favored 'General case' 0 CA--C 1.537 0.452 0 C-N-CA 123.501 0.72 . . . . 0.0 111.309 -173.857 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 53.95 22.46 19.94 Favored Glycine 0 CA--C 1.532 1.142 0 C-N-CA 123.97 0.795 . . . . 0.0 113.538 -177.991 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 60.9 m -128.08 136.47 51.25 Favored 'General case' 0 N--CA 1.451 -0.415 0 C-N-CA 126.154 1.782 . . . . 0.0 107.035 -173.592 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -88.31 116.5 26.56 Favored 'General case' 0 CA--C 1.534 0.339 0 N-CA-C 107.033 -1.469 . . . . 0.0 107.033 170.758 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 48.9 m-85 -103.05 138.49 39.83 Favored 'General case' 0 N--CA 1.452 -0.355 0 C-N-CA 126.938 2.095 . . . . 0.0 107.321 -177.98 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 27' ' ' CYS . . . . . 0.474 ' HA ' ' HA ' ' A' ' 17' ' ' PRO . 27.3 m . . . . . 0 C--N 1.343 0.293 0 CA-C-N 118.851 0.75 . . . . 0.0 112.649 -178.478 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 81.3 mt-30 . . . . . 0 CA--C 1.531 0.238 0 CA-C-O 121.143 0.497 . . . . 0.0 109.994 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 9.5 p -154.81 170.11 22.39 Favored 'General case' 0 N--CA 1.445 -0.694 0 C-N-CA 126.46 1.904 . . . . 0.0 107.556 -174.8 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 6.8 tt0 -107.26 -34.92 6.96 Favored 'General case' 0 N--CA 1.451 -0.391 0 C-N-CA 127.098 2.159 . . . . 0.0 109.81 169.333 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 25.3 m -157.48 161.13 38.86 Favored 'General case' 0 C--O 1.224 -0.269 0 O-C-N 121.476 -0.765 . . . . 0.0 109.397 -175.491 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 9.2 p -52.24 -33.3 16.85 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.558 0 O-C-N 121.204 -0.935 . . . . 0.0 112.528 -174.447 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -27.18 -51.31 0.06 Allowed 'General case' 0 CA--C 1.536 0.424 0 C-N-CA 127.932 2.493 . . . . 0.0 112.912 162.197 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 69.3 m-20 -71.85 -49.97 33.64 Favored 'General case' 0 N--CA 1.445 -0.691 0 C-N-CA 126.85 2.06 . . . . 0.0 108.962 -173.744 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 10' ' ' CYS . . . . . 0.464 ' HB3' ' CB ' ' A' ' 17' ' ' PRO . 0.2 OUTLIER -58.7 -31.19 68.02 Favored 'General case' 0 C--O 1.219 -0.539 0 C-N-CA 118.156 -1.417 . . . . 0.0 110.781 173.667 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 41.4 mt-30 -63.54 -15.36 57.76 Favored 'General case' 0 CA--C 1.54 0.572 0 CA-C-N 120.34 1.427 . . . . 0.0 112.05 179.87 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 33.9 mt-30 -80.14 -49.1 12.17 Favored 'General case' 0 C--N 1.342 0.28 0 CA-C-N 119.233 0.924 . . . . 0.0 110.007 162.776 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 23.7 t80 -62.42 -37.8 87.23 Favored 'General case' 0 CA--C 1.538 0.493 0 N-CA-C 113.783 1.031 . . . . 0.0 113.783 -170.249 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 16.8 m -136.52 143.83 43.94 Favored 'General case' 0 C--N 1.331 -0.209 0 C-N-CA 127.653 2.381 . . . . 0.0 108.303 -168.341 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -63.16 -47.89 80.73 Favored 'General case' 0 CA--C 1.535 0.372 0 N-CA-C 109.186 -0.672 . . . . 0.0 109.186 174.677 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 6.8 m -126.93 78.13 74.21 Favored Pre-proline 0 CA--C 1.533 0.321 0 C-N-CA 123.412 0.685 . . . . 0.0 111.691 -175.728 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 17' ' ' PRO . . . . . 0.48 ' HA ' ' HA ' ' A' ' 27' ' ' CYS . 5.3 Cg_endo -64.81 158.95 48.09 Favored 'Trans proline' 0 N--CA 1.434 -1.975 0 C-N-CA 121.667 1.578 . . . . 0.0 112.821 176.244 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 28.5 t0 -89.32 -61.89 1.6 Allowed 'General case' 0 N--CA 1.447 -0.586 0 N-CA-C 106.13 -1.804 . . . . 0.0 106.13 172.445 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 1.3 ptt85 -163.44 152.93 14.88 Favored 'General case' 0 N--CA 1.45 -0.463 0 N-CA-C 108.77 -0.826 . . . . 0.0 108.77 -177.862 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 45.3 t -80.78 110.93 16.76 Favored 'General case' 0 N--CA 1.454 -0.268 0 N-CA-C 105.657 -1.979 . . . . 0.0 105.657 147.12 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 2.8 m -158.51 145.5 17.6 Favored 'General case' 0 N--CA 1.448 -0.547 0 N-CA-C 108.323 -0.991 . . . . 0.0 108.323 -173.261 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 23.5 t80 54.77 40.23 31.82 Favored 'General case' 0 CA--C 1.539 0.524 0 CA-C-O 121.349 0.595 . . . . 0.0 110.948 -178.849 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 59.73 10.93 14.4 Favored Glycine 0 CA--C 1.537 1.458 0 C-N-CA 124.364 0.983 . . . . 0.0 114.294 -177.231 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 39.7 m -120.81 134.91 55.28 Favored 'General case' 0 N--CA 1.45 -0.452 0 C-N-CA 126.194 1.798 . . . . 0.0 107.572 -170.876 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 25' ' ' CYS . . . . . . . . . . . . 0.296 0.1 OUTLIER -88.68 85.37 6.78 Favored 'General case' 0 CA--C 1.534 0.358 0 CA-C-O 123.165 1.459 . . . . 0.0 107.313 171.402 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 58.2 m-85 -65.21 141.31 58.69 Favored 'General case' 0 N--CA 1.454 -0.246 0 C-N-CA 125.614 1.565 . . . . 0.0 108.637 179.388 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 27' ' ' CYS . . . . . 0.48 ' HA ' ' HA ' ' A' ' 17' ' ' PRO . 28.2 m . . . . . 0 C--N 1.345 0.371 0 N-CA-C 113.517 0.932 . . . . 0.0 113.517 -179.659 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 87.4 mt-30 . . . . . 0 CA--C 1.528 0.128 0 N-CA-C 109.946 -0.39 . . . . 0.0 109.946 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 6.6 p -131.03 142.78 50.35 Favored 'General case' 0 CA--C 1.514 -0.419 0 C-N-CA 125.201 1.4 . . . . 0.0 109.892 -169.781 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 31.9 mt-30 -75.95 -32.44 59.55 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.056 -0.974 . . . . 0.0 110.041 175.8 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 4.4 m -173.9 170.68 3.84 Favored 'General case' 0 N--CA 1.457 -0.11 0 C-N-CA 126.287 1.835 . . . . 0.0 106.721 -173.308 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 8.5 p -48.57 -37.92 8.81 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.373 0 C-N-CA 123.744 0.818 . . . . 0.0 112.382 -177.476 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 2.1 mpt_? -43.76 -44.32 6.61 Favored 'General case' 0 CA--C 1.533 0.289 0 C-N-CA 124.761 1.224 . . . . 0.0 112.112 173.66 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -64.19 -45.55 87.85 Favored 'General case' 0 N--CA 1.45 -0.437 0 O-C-N 121.835 -0.541 . . . . 0.0 109.84 -179.663 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 10' ' ' CYS . . . . . 0.453 ' SG ' ' HB3' ' A' ' 17' ' ' PRO . 0.5 OUTLIER -60.73 -35.18 75.71 Favored 'General case' 0 C--O 1.219 -0.517 0 C-N-CA 117.745 -1.582 . . . . 0.0 110.64 172.049 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 40.8 mt-30 -60.17 -35.01 74.39 Favored 'General case' 0 CA--C 1.534 0.334 0 CA-C-N 120.016 1.28 . . . . 0.0 110.35 178.72 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 31.5 mt-30 -57.61 -44.84 85.77 Favored 'General case' 0 CA--C 1.537 0.448 0 O-C-N 121.797 -0.564 . . . . 0.0 110.017 169.325 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 2.8 t80 -73.98 -33.2 63.75 Favored 'General case' 0 CA--C 1.54 0.563 0 C-N-CA 124.857 1.263 . . . . 0.0 114.121 -173.382 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 23.2 m -147.75 139.43 23.91 Favored 'General case' 0 C--O 1.225 -0.196 0 C-N-CA 126.001 1.72 . . . . 0.0 109.178 -159.716 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -59.66 -49.58 77.2 Favored 'General case' 0 CA--C 1.535 0.391 0 N-CA-C 109.771 -0.455 . . . . 0.0 109.771 176.251 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 5.7 m -128.75 77.48 77.53 Favored Pre-proline 0 CA--C 1.534 0.363 0 C-N-CA 123.271 0.628 . . . . 0.0 112.057 -174.498 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 17' ' ' PRO . . . . . 0.461 ' HA ' ' HA ' ' A' ' 27' ' ' CYS . 1.0 OUTLIER -62.56 147.84 94.22 Favored 'Trans proline' 0 N--CA 1.436 -1.854 0 C-N-CA 121.884 1.723 . . . . 0.0 112.353 176.651 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 25.1 t0 -71.79 -57.91 3.93 Favored 'General case' 0 N--CA 1.449 -0.494 0 N-CA-C 106.505 -1.665 . . . . 0.0 106.505 169.493 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -161.96 162.0 28.84 Favored 'General case' 0 N--CA 1.452 -0.36 0 N-CA-C 109.15 -0.685 . . . . 0.0 109.15 -177.368 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 54.0 t -92.99 120.05 32.89 Favored 'General case' 0 N--CA 1.456 -0.171 0 N-CA-C 104.886 -2.265 . . . . 0.0 104.886 141.589 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 2.2 m -161.12 143.81 12.53 Favored 'General case' 0 N--CA 1.451 -0.396 0 N-CA-C 108.271 -1.011 . . . . 0.0 108.271 -170.439 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 48.4 t80 51.17 43.09 29.33 Favored 'General case' 0 CA--C 1.538 0.502 0 CA-C-O 121.476 0.655 . . . . 0.0 110.921 -175.875 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 54.24 21.78 19.98 Favored Glycine 0 CA--C 1.534 1.23 0 C-N-CA 124.152 0.882 . . . . 0.0 113.85 -177.731 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 63.8 m -128.39 136.4 50.84 Favored 'General case' 0 N--CA 1.452 -0.357 0 C-N-CA 125.962 1.705 . . . . 0.0 107.133 -172.737 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -92.21 117.43 29.87 Favored 'General case' 0 CA--C 1.53 0.194 0 N-CA-C 107.151 -1.426 . . . . 0.0 107.151 172.86 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 50.5 m-85 -109.13 138.86 44.82 Favored 'General case' 0 N--CA 1.452 -0.338 0 C-N-CA 127.016 2.126 . . . . 0.0 107.583 -172.914 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 27' ' ' CYS . . . . . 0.461 ' HA ' ' HA ' ' A' ' 17' ' ' PRO . 22.3 m . . . . . 0 C--N 1.343 0.286 0 C-N-CA 123.731 0.813 . . . . 0.0 112.333 -176.566 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 80.4 mt-30 . . . . . 0 CA--C 1.529 0.16 0 N-CA-C 109.32 -0.622 . . . . 0.0 109.32 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 4.6 p -132.72 154.44 50.19 Favored 'General case' 0 N--CA 1.448 -0.541 0 C-N-CA 126.198 1.799 . . . . 0.0 109.73 -173.664 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 7.4 tt0 -79.26 -42.78 25.09 Favored 'General case' 0 CA--C 1.532 0.271 0 C-N-CA 124.976 1.31 . . . . 0.0 110.323 165.717 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 20.7 m -166.61 175.11 8.2 Favored 'General case' 0 CA--C 1.53 0.209 0 C-N-CA 126.023 1.729 . . . . 0.0 107.147 -173.523 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 8.5 p -54.84 -35.83 35.14 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.498 0 CA-C-N 118.998 0.817 . . . . 0.0 112.312 -177.274 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 3.7 mpt_? -51.51 -34.79 37.63 Favored 'General case' 0 CA--C 1.533 0.306 0 C-N-CA 123.842 0.857 . . . . 0.0 112.025 172.876 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -63.37 -53.57 50.35 Favored 'General case' 0 N--CA 1.453 -0.284 0 N-CA-C 108.384 -0.969 . . . . 0.0 108.384 173.987 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 10' ' ' CYS . . . . . 0.486 ' SG ' ' HB3' ' A' ' 17' ' ' PRO . 0.5 OUTLIER -55.67 -33.28 63.97 Favored 'General case' 0 C--O 1.221 -0.431 0 C-N-CA 117.924 -1.511 . . . . 0.0 111.478 178.455 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 38.1 mt-30 -56.38 -31.48 63.88 Favored 'General case' 0 CA--C 1.539 0.547 0 CA-C-N 119.189 0.904 . . . . 0.0 112.133 178.778 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 11.2 pt20 -79.04 -34.72 43.58 Favored 'General case' 0 N--CA 1.445 -0.719 0 CA-C-N 120.046 1.294 . . . . 0.0 111.249 172.318 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 77.5 m-85 -69.58 -30.69 68.53 Favored 'General case' 0 CA--C 1.543 0.681 0 N-CA-C 113.816 1.043 . . . . 0.0 113.816 176.76 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 18.4 m -147.46 138.34 23.53 Favored 'General case' 0 N--CA 1.463 0.176 0 C-N-CA 125.197 1.399 . . . . 0.0 109.607 -161.383 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 5.6 mp -69.72 -23.96 63.49 Favored 'General case' 0 CA--C 1.533 0.326 0 C-N-CA 122.753 0.421 . . . . 0.0 111.958 177.815 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 11.7 m -148.09 75.83 10.57 Favored Pre-proline 0 C--O 1.236 0.35 0 O-C-N 121.242 -0.911 . . . . 0.0 111.482 178.353 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 17' ' ' PRO . . . . . 0.486 ' HB3' ' SG ' ' A' ' 10' ' ' CYS . 4.8 Cg_endo -64.06 153.15 77.73 Favored 'Trans proline' 0 N--CA 1.432 -2.116 0 C-N-CA 122.148 1.899 . . . . 0.0 112.17 177.082 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 28.8 t0 -83.08 -61.45 1.85 Allowed 'General case' 0 N--CA 1.445 -0.709 0 N-CA-C 106.677 -1.601 . . . . 0.0 106.677 169.946 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 1.4 ptt85 -163.06 153.1 15.89 Favored 'General case' 0 N--CA 1.45 -0.472 0 N-CA-C 109.272 -0.64 . . . . 0.0 109.272 -176.867 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 43.2 t -81.29 109.46 15.82 Favored 'General case' 0 N--CA 1.453 -0.282 0 N-CA-C 105.591 -2.003 . . . . 0.0 105.591 147.335 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 2.8 m -155.75 141.93 18.36 Favored 'General case' 0 N--CA 1.447 -0.586 0 N-CA-C 108.894 -0.78 . . . . 0.0 108.894 -172.975 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 16.7 t80 52.04 43.13 30.66 Favored 'General case' 0 CA--C 1.538 0.516 0 CA-C-O 121.549 0.69 . . . . 0.0 110.787 -175.428 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 59.5 9.62 9.52 Favored Glycine 0 CA--C 1.536 1.356 0 C-N-CA 124.465 1.031 . . . . 0.0 114.483 -178.005 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 33.3 m -116.36 132.14 56.75 Favored 'General case' 0 N--CA 1.448 -0.534 0 C-N-CA 126.031 1.732 . . . . 0.0 107.322 -172.316 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 25' ' ' CYS . . . . . . . . . . . . 0.282 0.0 OUTLIER -87.16 85.49 7.21 Favored 'General case' 0 CA--C 1.533 0.313 0 CA-C-O 123.245 1.498 . . . . 0.0 107.107 172.506 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 56.2 m-85 -64.84 136.63 57.09 Favored 'General case' 0 N--CA 1.451 -0.401 0 C-N-CA 125.124 1.37 . . . . 0.0 108.652 178.48 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 27' ' ' CYS . . . . . 0.475 ' HA ' ' HA ' ' A' ' 17' ' ' PRO . 11.6 m . . . . . 0 CA--C 1.518 -0.286 0 C-N-CA 124.361 1.064 . . . . 0.0 110.476 175.887 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 79.4 mt-30 . . . . . 0 N--CA 1.463 0.175 0 CA-C-O 120.732 0.301 . . . . 0.0 110.264 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 23.4 p -157.18 167.01 31.63 Favored 'General case' 0 N--CA 1.449 -0.487 0 C-N-CA 124.776 1.23 . . . . 0.0 108.684 -172.502 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 38.8 mt-30 -115.01 -26.59 7.67 Favored 'General case' 0 N--CA 1.451 -0.376 0 C-N-CA 126.051 1.74 . . . . 0.0 110.983 169.694 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 14.2 m -160.64 156.42 25.55 Favored 'General case' 0 C--O 1.224 -0.239 0 CA-C-N 119.522 1.055 . . . . 0.0 108.684 -175.748 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 8.5 p -46.18 -37.86 3.02 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.419 0 N-CA-C 113.639 0.977 . . . . 0.0 113.639 -171.512 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 94.6 mtt-85 -45.14 -43.34 9.8 Favored 'General case' 0 CA--C 1.533 0.32 0 C-N-CA 125.049 1.339 . . . . 0.0 113.105 175.232 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 69.2 m-20 -54.25 -53.88 47.69 Favored 'General case' 0 N--CA 1.447 -0.608 0 C-N-CA 124.213 1.005 . . . . 0.0 108.449 175.545 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 10' ' ' CYS . . . . . 0.486 ' HB3' ' CB ' ' A' ' 17' ' ' PRO . 0.5 OUTLIER -64.32 -32.9 74.68 Favored 'General case' 0 C--O 1.216 -0.66 0 C-N-CA 118.629 -1.228 . . . . 0.0 111.66 176.563 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 43.7 mt-30 -59.13 -33.52 70.97 Favored 'General case' 0 N--CA 1.465 0.313 0 CA-C-N 120.705 1.593 . . . . 0.0 110.204 -179.785 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -65.87 -42.66 90.06 Favored 'General case' 0 CA--C 1.536 0.405 0 O-C-N 121.988 -0.445 . . . . 0.0 110.289 170.459 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 7.1 t80 -71.41 -35.21 70.91 Favored 'General case' 0 CA--C 1.542 0.652 0 N-CA-C 114.921 1.452 . . . . 0.0 114.921 -174.494 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 6.6 m -143.61 146.48 33.32 Favored 'General case' 0 N--CA 1.465 0.321 0 C-N-CA 126.718 2.007 . . . . 0.0 109.761 -161.236 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -64.1 -54.0 40.83 Favored 'General case' 0 CA--C 1.533 0.32 0 N-CA-C 109.878 -0.416 . . . . 0.0 109.878 178.885 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 20.2 m -127.41 82.98 67.23 Favored Pre-proline 0 C--N 1.342 0.251 0 CA-C-N 117.944 0.338 . . . . 0.0 110.842 179.803 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 17' ' ' PRO . . . . . 0.486 ' CB ' ' HB3' ' A' ' 10' ' ' CYS . 2.2 Cg_endo -60.93 143.03 99.26 Favored 'Trans proline' 0 N--CA 1.434 -1.998 0 C-N-CA 121.372 1.382 . . . . 0.0 112.462 175.949 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 18' ' ' ASP . . . . . 0.424 ' H ' ' HA ' ' A' ' 27' ' ' CYS . 22.7 t0 -70.27 -58.64 3.54 Favored 'General case' 0 N--CA 1.449 -0.5 0 N-CA-C 106.358 -1.719 . . . . 0.0 106.358 170.286 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -163.84 154.69 15.85 Favored 'General case' 0 N--CA 1.45 -0.475 0 N-CA-C 108.867 -0.79 . . . . 0.0 108.867 -177.193 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 51.0 t -83.0 116.37 22.24 Favored 'General case' 0 N--CA 1.454 -0.26 0 N-CA-C 105.58 -2.007 . . . . 0.0 105.58 143.774 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 2.2 m -160.35 144.18 13.96 Favored 'General case' 0 N--CA 1.45 -0.466 0 N-CA-C 107.73 -1.211 . . . . 0.0 107.73 -174.054 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 29.9 t80 55.76 36.87 28.08 Favored 'General case' 0 CA--C 1.539 0.557 0 CA-C-N 118.481 0.582 . . . . 0.0 110.854 -176.125 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 54.38 19.42 12.56 Favored Glycine 0 CA--C 1.535 1.298 0 C-N-CA 124.467 1.032 . . . . 0.0 113.759 -175.159 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 60.8 m -122.23 134.75 54.69 Favored 'General case' 0 N--CA 1.45 -0.472 0 C-N-CA 126.817 2.047 . . . . 0.0 106.709 -173.456 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 25' ' ' CYS . . . . . . . . . . . . 0.256 0.0 OUTLIER -92.78 91.78 7.64 Favored 'General case' 0 CA--C 1.535 0.392 0 N-CA-C 107.351 -1.351 . . . . 0.0 107.351 176.625 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 52.0 m-85 -78.47 140.54 38.61 Favored 'General case' 0 N--CA 1.454 -0.255 0 C-N-CA 126.003 1.721 . . . . 0.0 108.843 -177.289 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 27' ' ' CYS . . . . . 0.467 ' HA ' ' HA ' ' A' ' 17' ' ' PRO . 33.7 m . . . . . 0 C--N 1.346 0.415 0 N-CA-C 115.342 1.608 . . . . 0.0 115.342 -173.557 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 74.0 mt-30 . . . . . 0 N--CA 1.464 0.268 0 CA-C-O 121.379 0.609 . . . . 0.0 110.625 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 4' ' ' CYS . . . . . 0.43 ' HB2' ' HB2' ' A' ' 9' ' ' ASP . 25.2 p -149.94 158.5 44.23 Favored 'General case' 0 N--CA 1.444 -0.763 0 C-N-CA 125.639 1.576 . . . . 0.0 107.519 -176.676 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 77.0 mt-30 -121.83 -5.57 9.1 Favored 'General case' 0 C--N 1.325 -0.478 0 C-N-CA 124.732 1.213 . . . . 0.0 110.86 173.286 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 12.8 m -162.86 156.54 20.22 Favored 'General case' 0 C--O 1.224 -0.277 0 N-CA-C 107.819 -1.178 . . . . 0.0 107.819 176.818 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 10.9 p -52.22 -29.74 12.63 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.661 0 O-C-N 121.029 -1.044 . . . . 0.0 112.025 175.904 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 99.2 mtt180 -38.07 -53.5 1.39 Allowed 'General case' 0 CA--C 1.534 0.335 0 C-N-CA 125.873 1.669 . . . . 0.0 112.159 167.013 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 9' ' ' ASP . . . . . 0.43 ' HB2' ' HB2' ' A' ' 4' ' ' CYS . 48.3 m-20 -57.39 -57.15 13.91 Favored 'General case' 0 N--CA 1.448 -0.562 0 C-N-CA 124.983 1.313 . . . . 0.0 108.686 -177.712 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 10' ' ' CYS . . . . . 0.471 ' SG ' ' HB3' ' A' ' 17' ' ' PRO . 0.5 OUTLIER -59.63 -34.9 73.38 Favored 'General case' 0 C--O 1.219 -0.522 0 C-N-CA 118.66 -1.216 . . . . 0.0 111.337 -179.644 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 33.6 mt-30 -60.8 -22.64 64.35 Favored 'General case' 0 CA--C 1.535 0.402 0 CA-C-N 119.486 1.039 . . . . 0.0 111.392 -179.206 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 31.3 mt-30 -78.1 -44.72 25.36 Favored 'General case' 0 CA--C 1.532 0.267 0 CA-C-N 118.492 0.587 . . . . 0.0 110.158 169.196 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 53.4 m-85 -73.27 -20.76 60.76 Favored 'General case' 0 CA--C 1.542 0.639 0 N-CA-C 114.374 1.25 . . . . 0.0 114.374 -176.045 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 19.7 m -149.94 140.09 22.13 Favored 'General case' 0 C--O 1.226 -0.177 0 C-N-CA 125.732 1.613 . . . . 0.0 108.301 -168.792 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -64.09 -47.97 77.99 Favored 'General case' 0 CA--C 1.533 0.319 0 N-CA-C 109.662 -0.496 . . . . 0.0 109.662 177.591 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 20.4 m -126.61 79.93 70.75 Favored Pre-proline 0 CA--C 1.536 0.406 0 C-N-CA 123.363 0.665 . . . . 0.0 111.736 -178.653 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 17' ' ' PRO . . . . . 0.487 ' HA ' ' HA ' ' A' ' 27' ' ' CYS . 4.1 Cg_endo -62.35 150.78 85.94 Favored 'Trans proline' 0 N--CA 1.434 -2.025 0 C-N-CA 122.194 1.929 . . . . 0.0 112.639 174.495 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 18' ' ' ASP . . . . . 0.402 ' H ' ' HA ' ' A' ' 27' ' ' CYS . 24.2 t0 -79.34 -58.42 3.22 Favored 'General case' 0 N--CA 1.444 -0.737 0 N-CA-C 106.6 -1.629 . . . . 0.0 106.6 172.35 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -163.76 153.96 15.27 Favored 'General case' 0 N--CA 1.447 -0.622 0 N-CA-C 108.469 -0.937 . . . . 0.0 108.469 -178.237 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 52.9 t -84.64 112.33 20.36 Favored 'General case' 0 N--CA 1.452 -0.37 0 N-CA-C 105.449 -2.056 . . . . 0.0 105.449 146.363 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 2.9 m -160.28 147.76 16.26 Favored 'General case' 0 N--CA 1.452 -0.336 0 N-CA-C 108.65 -0.87 . . . . 0.0 108.65 -171.547 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 42.4 t80 52.68 39.96 29.39 Favored 'General case' 0 CA--C 1.538 0.51 0 CA-C-O 121.518 0.675 . . . . 0.0 110.915 -176.245 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 53.24 23.12 16.46 Favored Glycine 0 CA--C 1.535 1.315 0 C-N-CA 124.333 0.968 . . . . 0.0 114.016 -176.247 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 63.1 m -128.04 137.04 52.03 Favored 'General case' 0 N--CA 1.45 -0.446 0 C-N-CA 126.523 1.929 . . . . 0.0 107.199 -172.945 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -91.87 93.37 8.79 Favored 'General case' 0 CA--C 1.535 0.392 0 N-CA-C 107.404 -1.332 . . . . 0.0 107.404 173.23 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 56.4 m-85 -78.84 142.21 37.06 Favored 'General case' 0 C--O 1.233 0.198 0 C-N-CA 125.561 1.544 . . . . 0.0 108.642 -178.818 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 27' ' ' CYS . . . . . 0.487 ' HA ' ' HA ' ' A' ' 17' ' ' PRO . 23.3 m . . . . . 0 C--N 1.344 0.367 0 C-N-CA 123.934 0.894 . . . . 0.0 112.907 -177.873 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 83.8 mt-30 . . . . . 0 CA--C 1.531 0.232 0 CA-C-O 120.816 0.341 . . . . 0.0 110.606 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 4' ' ' CYS . . . . . 0.421 ' HB2' ' HB2' ' A' ' 9' ' ' ASP . 15.1 p -143.18 168.43 19.77 Favored 'General case' 0 N--CA 1.451 -0.393 0 C-N-CA 126.27 1.828 . . . . 0.0 109.243 -175.359 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 38.1 mt-30 -105.8 -36.66 6.96 Favored 'General case' 0 CA--C 1.534 0.35 0 C-N-CA 126.659 1.984 . . . . 0.0 109.828 166.271 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 1.2 p -152.72 172.59 16.44 Favored 'General case' 0 CA--C 1.514 -0.436 0 CA-C-O 122.019 0.914 . . . . 0.0 111.382 -177.306 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 6.2 p -54.86 -37.98 42.97 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.603 0 CA-C-N 115.641 -0.708 . . . . 0.0 111.295 -176.12 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 3.5 tmt_? -35.59 -44.76 0.33 Allowed 'General case' 0 N--CA 1.452 -0.374 0 C-N-CA 128.272 2.629 . . . . 0.0 113.525 167.168 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 9' ' ' ASP . . . . . 0.421 ' HB2' ' HB2' ' A' ' 4' ' ' CYS . 74.1 m-20 -70.28 -52.55 22.06 Favored 'General case' 0 N--CA 1.445 -0.71 0 N-CA-C 107.969 -1.123 . . . . 0.0 107.969 -178.21 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 10' ' ' CYS . . . . . 0.472 ' HB3' ' CB ' ' A' ' 17' ' ' PRO . 0.3 OUTLIER -57.08 -34.68 68.53 Favored 'General case' 0 C--O 1.219 -0.548 0 C-N-CA 118.794 -1.162 . . . . 0.0 111.815 176.933 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 84.6 mt-30 -58.56 -19.57 39.12 Favored 'General case' 0 CA--C 1.537 0.481 0 CA-C-N 119.195 0.907 . . . . 0.0 111.857 179.705 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 31.4 mt-30 -87.36 -43.84 11.82 Favored 'General case' 0 CA--C 1.535 0.367 0 C-N-CA 123.278 0.631 . . . . 0.0 110.071 171.236 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 89.2 m-85 -66.8 -28.22 68.2 Favored 'General case' 0 CA--C 1.543 0.705 0 N-CA-C 113.558 0.947 . . . . 0.0 113.558 179.994 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 19.1 m -146.42 140.86 26.61 Favored 'General case' 0 CA--C 1.52 -0.19 0 C-N-CA 126.245 1.818 . . . . 0.0 108.767 -165.647 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -63.49 -46.79 84.51 Favored 'General case' 0 CA--C 1.534 0.363 0 N-CA-C 109.395 -0.594 . . . . 0.0 109.395 175.355 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 6.9 m -127.4 74.64 77.61 Favored Pre-proline 0 CA--C 1.536 0.421 0 C-N-CA 123.143 0.577 . . . . 0.0 112.367 -173.295 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 17' ' ' PRO . . . . . 0.515 ' HA ' ' HA ' ' A' ' 27' ' ' CYS . 2.8 Cg_endo -64.39 153.57 76.16 Favored 'Trans proline' 0 N--CA 1.435 -1.959 0 C-N-CA 121.554 1.503 . . . . 0.0 113.491 179.706 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 18' ' ' ASP . . . . . 0.429 ' H ' ' HA ' ' A' ' 27' ' ' CYS . 38.2 t0 -80.61 -65.3 1.03 Allowed 'General case' 0 N--CA 1.445 -0.715 0 N-CA-C 106.06 -1.83 . . . . 0.0 106.06 171.156 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -161.01 153.06 19.93 Favored 'General case' 0 N--CA 1.449 -0.522 0 C-N-CA 124.401 1.08 . . . . 0.0 108.581 -176.502 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 52.7 t -83.49 111.01 18.68 Favored 'General case' 0 N--CA 1.453 -0.299 0 N-CA-C 105.662 -1.977 . . . . 0.0 105.662 147.805 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 3.1 m -159.65 153.02 22.3 Favored 'General case' 0 N--CA 1.45 -0.446 0 C-N-CA 123.915 0.886 . . . . 0.0 108.741 -171.595 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 27.6 t80 49.0 40.73 17.7 Favored 'General case' 0 CA--C 1.539 0.552 0 C-N-CA 123.712 0.805 . . . . 0.0 111.964 179.949 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 52.41 42.33 56.78 Favored Glycine 0 CA--C 1.532 1.11 0 C-N-CA 123.232 0.444 . . . . 0.0 112.103 -175.992 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 7.2 m -153.24 138.4 17.39 Favored 'General case' 0 N--CA 1.453 -0.308 0 N-CA-C 107.996 -1.113 . . . . 0.0 107.996 -176.789 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 25' ' ' CYS . . . . . . . . . . . . 0.264 0.0 OUTLIER -90.68 88.14 6.98 Favored 'General case' 0 CA--C 1.533 0.315 0 CA-C-O 123.24 1.495 . . . . 0.0 107.093 172.566 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 61.7 m-85 -69.65 139.99 53.6 Favored 'General case' 0 N--CA 1.451 -0.387 0 C-N-CA 125.287 1.435 . . . . 0.0 108.332 178.998 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 27' ' ' CYS . . . . . 0.515 ' HA ' ' HA ' ' A' ' 17' ' ' PRO . 21.9 m . . . . . 0 C--N 1.342 0.269 0 C-N-CA 123.657 0.783 . . . . 0.0 112.421 -179.523 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 75.0 mt-30 . . . . . 0 CA--C 1.531 0.24 0 N-CA-C 109.031 -0.729 . . . . 0.0 109.031 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 13.7 p -143.23 166.35 24.94 Favored 'General case' 0 N--CA 1.45 -0.462 0 C-N-CA 126.367 1.867 . . . . 0.0 108.326 179.796 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 4.3 tt0 -100.99 -41.68 6.7 Favored 'General case' 0 N--CA 1.45 -0.464 0 C-N-CA 125.815 1.646 . . . . 0.0 109.319 165.983 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -148.86 161.28 42.15 Favored 'General case' 0 C--O 1.223 -0.335 0 C-N-CA 123.602 0.761 . . . . 0.0 109.04 -165.931 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 10.0 p -52.89 -34.12 19.99 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.566 0 O-C-N 121.087 -1.008 . . . . 0.0 112.164 -178.514 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 72.0 mtt85 -49.5 -39.08 32.68 Favored 'General case' 0 CA--C 1.532 0.282 0 C-N-CA 124.444 1.097 . . . . 0.0 113.139 174.105 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 45.4 m-20 -57.21 -51.47 69.21 Favored 'General case' 0 N--CA 1.449 -0.495 0 N-CA-C 108.097 -1.075 . . . . 0.0 108.097 174.229 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 10' ' ' CYS . . . . . 0.439 ' HB3' ' CB ' ' A' ' 17' ' ' PRO . 0.1 OUTLIER -60.71 -34.8 74.93 Favored 'General case' 0 C--O 1.217 -0.644 0 C-N-CA 119.294 -0.962 . . . . 0.0 112.209 175.66 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 38.4 mt-30 -58.64 -24.33 60.92 Favored 'General case' 0 CA--C 1.537 0.448 0 CA-C-N 120.283 1.402 . . . . 0.0 111.551 179.678 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 32.2 mt-30 -77.31 -46.66 22.25 Favored 'General case' 0 CA--C 1.534 0.33 0 CA-C-N 118.281 0.492 . . . . 0.0 109.765 170.144 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 27.8 t80 -64.53 -39.07 93.09 Favored 'General case' 0 CA--C 1.536 0.405 0 N-CA-C 113.776 1.028 . . . . 0.0 113.776 -173.868 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 15.6 m -135.44 142.1 45.52 Favored 'General case' 0 CA--C 1.521 -0.17 0 C-N-CA 127.231 2.212 . . . . 0.0 108.542 -166.369 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 3.8 mm? -77.09 -15.72 59.47 Favored 'General case' 0 CA--C 1.532 0.275 0 C-N-CA 123.205 0.602 . . . . 0.0 110.648 175.468 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 6.3 m -148.29 72.16 10.98 Favored Pre-proline 0 CA--C 1.537 0.464 0 O-C-N 121.157 -0.964 . . . . 0.0 112.384 178.626 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 17' ' ' PRO . . . . . 0.523 ' HA ' ' HA ' ' A' ' 27' ' ' CYS . 5.9 Cg_endo -67.65 172.99 9.63 Favored 'Trans proline' 0 N--CA 1.436 -1.88 0 C-N-CA 121.258 1.305 . . . . 0.0 114.488 -178.772 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 7.5 t70 -111.74 -67.38 1.0 Allowed 'General case' 0 N--CA 1.445 -0.724 0 CA-C-N 113.947 -1.479 . . . . 0.0 109.66 173.2 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 5.2 ptt180 -155.36 144.18 20.63 Favored 'General case' 0 N--CA 1.436 -1.138 0 N-CA-C 109.555 -0.535 . . . . 0.0 109.555 -177.051 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 54.1 t -80.26 108.22 13.69 Favored 'General case' 0 N--CA 1.45 -0.457 0 N-CA-C 105.686 -1.968 . . . . 0.0 105.686 152.019 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 3.1 m -157.92 142.48 16.28 Favored 'General case' 0 N--CA 1.451 -0.393 0 N-CA-C 108.963 -0.755 . . . . 0.0 108.963 -170.528 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 98.1 m-85 50.32 33.53 7.62 Favored 'General case' 0 CA--C 1.537 0.475 0 C-N-CA 123.792 0.837 . . . . 0.0 111.355 -168.465 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 66.63 11.78 57.81 Favored Glycine 0 CA--C 1.536 1.372 0 CA-C-O 119.447 -0.64 . . . . 0.0 113.992 -179.712 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 53.0 m -116.22 135.9 53.49 Favored 'General case' 0 N--CA 1.453 -0.302 0 C-N-CA 126.315 1.846 . . . . 0.0 108.056 179.33 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 25' ' ' CYS . . . . . . . . . . . . 0.283 0.1 OUTLIER -88.6 86.61 7.04 Favored 'General case' 0 CA--C 1.534 0.355 0 CA-C-O 123.399 1.571 . . . . 0.0 108.344 174.114 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 63.4 m-85 -61.33 138.04 58.24 Favored 'General case' 0 N--CA 1.453 -0.292 0 C-N-CA 125.373 1.469 . . . . 0.0 109.135 174.421 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 27' ' ' CYS . . . . . 0.523 ' HA ' ' HA ' ' A' ' 17' ' ' PRO . 14.3 m . . . . . 0 CA--C 1.518 -0.269 0 C-N-CA 123.703 0.801 . . . . 0.0 111.691 174.997 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 81.6 mt-30 . . . . . 0 N--CA 1.463 0.201 0 N-CA-C 109.75 -0.463 . . . . 0.0 109.75 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 12.1 p -150.9 168.29 24.95 Favored 'General case' 0 N--CA 1.449 -0.494 0 C-N-CA 125.1 1.36 . . . . 0.0 108.852 -174.958 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 7.5 tt0 -104.34 -39.51 6.44 Favored 'General case' 0 N--CA 1.45 -0.462 0 C-N-CA 127.062 2.145 . . . . 0.0 109.223 166.402 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 1.5 p -153.08 175.14 13.33 Favored 'General case' 0 CA--C 1.514 -0.433 0 CA-C-O 121.852 0.834 . . . . 0.0 110.506 179.113 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 9.8 p -51.84 -36.41 19.28 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.568 0 CA-C-N 115.633 -0.712 . . . . 0.0 111.892 -177.324 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 99.9 mtt180 -45.26 -44.46 11.3 Favored 'General case' 0 CA--C 1.531 0.228 0 C-N-CA 125.497 1.519 . . . . 0.0 112.471 174.312 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 28.3 m-20 -57.68 -53.74 54.78 Favored 'General case' 0 C--O 1.241 0.627 0 CA-C-O 122.109 0.957 . . . . 0.0 108.805 178.145 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 10' ' ' CYS . . . . . 0.476 ' HB3' ' CB ' ' A' ' 17' ' ' PRO . 0.3 OUTLIER -63.02 -31.24 72.34 Favored 'General case' 0 N--CA 1.446 -0.63 0 CA-C-N 114.958 -1.019 . . . . 0.0 111.042 179.724 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 40.7 mt-30 -59.55 -26.61 65.51 Favored 'General case' 0 CA--C 1.536 0.425 0 CA-C-N 120.182 1.356 . . . . 0.0 111.004 179.529 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 15.2 mt-30 -71.62 -48.53 47.34 Favored 'General case' 0 CA--C 1.531 0.218 0 N-CA-C 108.776 -0.824 . . . . 0.0 108.776 168.763 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 5.6 t80 -63.62 -32.16 73.55 Favored 'General case' 0 CA--C 1.538 0.516 0 N-CA-C 113.903 1.075 . . . . 0.0 113.903 -172.951 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 21.7 m -150.1 142.05 23.87 Favored 'General case' 0 C--N 1.331 -0.219 0 C-N-CA 126.527 1.931 . . . . 0.0 109.307 -161.819 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -62.73 -49.17 76.09 Favored 'General case' 0 CA--C 1.535 0.376 0 N-CA-C 109.56 -0.533 . . . . 0.0 109.56 176.479 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 8.7 m -127.09 77.26 75.54 Favored Pre-proline 0 CA--C 1.534 0.361 0 C-N-CA 123.414 0.686 . . . . 0.0 111.791 -175.637 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 17' ' ' PRO . . . . . 0.494 ' HA ' ' HA ' ' A' ' 27' ' ' CYS . 3.3 Cg_endo -63.7 147.28 92.7 Favored 'Trans proline' 0 N--CA 1.433 -2.072 0 C-N-CA 121.653 1.569 . . . . 0.0 112.293 176.161 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 10.8 t0 -83.73 -56.88 3.47 Favored 'General case' 0 N--CA 1.451 -0.376 0 N-CA-C 106.995 -1.483 . . . . 0.0 106.995 178.218 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 6.3 ptt-85 -160.94 151.28 17.87 Favored 'General case' 0 N--CA 1.45 -0.456 0 O-C-N 121.869 -0.519 . . . . 0.0 109.716 175.397 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 40.8 t -85.0 112.94 21.05 Favored 'General case' 0 C--N 1.333 -0.136 0 N-CA-C 105.634 -1.988 . . . . 0.0 105.634 150.316 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 2.6 m -161.8 142.09 10.45 Favored 'General case' 0 N--CA 1.452 -0.357 0 N-CA-C 108.716 -0.846 . . . . 0.0 108.716 -168.873 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 79.0 m-85 49.76 45.0 25.0 Favored 'General case' 0 CA--C 1.535 0.385 0 C-N-CA 123.619 0.768 . . . . 0.0 110.99 -175.273 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 57.77 14.7 16.49 Favored Glycine 0 CA--C 1.536 1.351 0 C-N-CA 124.304 0.954 . . . . 0.0 114.223 -179.213 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 39.8 m -121.61 133.47 54.99 Favored 'General case' 0 N--CA 1.449 -0.478 0 C-N-CA 125.811 1.645 . . . . 0.0 107.279 -172.931 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 25' ' ' CYS . . . . . . . . . . . . 0.282 0.1 OUTLIER -91.3 85.18 5.75 Favored 'General case' 0 CA--C 1.535 0.402 0 CA-C-O 123.142 1.448 . . . . 0.0 107.316 174.074 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 51.4 m-85 -63.23 133.42 54.23 Favored 'General case' 0 N--CA 1.453 -0.29 0 C-N-CA 124.818 1.247 . . . . 0.0 108.069 177.472 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 27' ' ' CYS . . . . . 0.494 ' HA ' ' HA ' ' A' ' 17' ' ' PRO . 35.5 m . . . . . 0 CA--C 1.513 -0.463 0 C-N-CA 123.209 0.604 . . . . 0.0 111.254 175.597 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 79.7 mt-30 . . . . . 0 CA--C 1.531 0.242 0 N-CA-C 109.647 -0.501 . . . . 0.0 109.647 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 20.9 p -140.19 160.35 40.15 Favored 'General case' 0 N--CA 1.454 -0.249 0 C-N-CA 126.12 1.768 . . . . 0.0 109.294 172.875 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 7.4 tt0 -100.49 -35.65 9.47 Favored 'General case' 0 N--CA 1.45 -0.457 0 C-N-CA 126.095 1.758 . . . . 0.0 109.62 171.332 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 15.2 m -161.23 161.81 30.93 Favored 'General case' 0 C--O 1.222 -0.392 0 C-N-CA 123.433 0.693 . . . . 0.0 109.33 -172.634 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 8.5 p -47.95 -36.42 5.7 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.427 0 N-CA-C 113.517 0.932 . . . . 0.0 113.517 -172.422 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 46.4 mtp85 -49.69 -39.52 36.98 Favored 'General case' 0 CA--C 1.531 0.223 0 C-N-CA 124.109 0.963 . . . . 0.0 112.963 175.74 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 45.5 m-20 -55.64 -53.94 50.32 Favored 'General case' 0 N--CA 1.448 -0.572 0 N-CA-C 108.538 -0.912 . . . . 0.0 108.538 173.837 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 10' ' ' CYS . . . . . 0.508 ' SG ' ' HB3' ' A' ' 17' ' ' PRO . 0.1 OUTLIER -58.28 -36.58 73.51 Favored 'General case' 0 N--CA 1.45 -0.439 0 CA-C-O 118.282 -0.866 . . . . 0.0 111.987 175.997 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 45.8 mt-30 -57.18 -25.49 59.06 Favored 'General case' 0 CA--C 1.537 0.468 0 CA-C-N 119.965 1.257 . . . . 0.0 111.393 178.617 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 27.1 mt-30 -76.96 -48.81 17.02 Favored 'General case' 0 CA--C 1.533 0.31 0 CA-C-N 118.415 0.552 . . . . 0.0 109.864 171.789 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 76.0 m-85 -70.52 -23.01 62.57 Favored 'General case' 0 CA--C 1.544 0.713 0 N-CA-C 113.283 0.845 . . . . 0.0 113.283 -174.292 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 20.8 m -149.35 141.99 24.48 Favored 'General case' 0 N--CA 1.463 0.197 0 C-N-CA 125.731 1.612 . . . . 0.0 109.682 -166.575 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -64.89 -50.35 66.89 Favored 'General case' 0 CA--C 1.534 0.363 0 C-N-CA 122.882 0.473 . . . . 0.0 109.795 177.425 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 20.7 m -125.33 81.38 63.95 Favored Pre-proline 0 CA--C 1.534 0.362 0 C-N-CA 123.409 0.684 . . . . 0.0 111.445 -178.1 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 17' ' ' PRO . . . . . 0.508 ' HB3' ' SG ' ' A' ' 10' ' ' CYS . 1.1 Cg_endo -63.88 162.01 30.55 Favored 'Trans proline' 0 N--CA 1.435 -1.953 0 C-N-CA 121.545 1.497 . . . . 0.0 114.164 176.357 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 28.4 t70 -96.67 -62.9 1.19 Allowed 'General case' 0 N--CA 1.453 -0.293 0 C-N-CA 127.014 2.126 . . . . 0.0 106.978 175.65 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -155.32 159.41 39.95 Favored 'General case' 0 N--CA 1.447 -0.612 0 N-CA-C 108.906 -0.776 . . . . 0.0 108.906 176.728 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 44.1 t -90.65 116.54 28.61 Favored 'General case' 0 N--CA 1.455 -0.196 0 N-CA-C 105.39 -2.078 . . . . 0.0 105.39 145.308 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 2.1 m -159.32 143.72 15.28 Favored 'General case' 0 N--CA 1.448 -0.563 0 N-CA-C 108.887 -0.782 . . . . 0.0 108.887 -172.019 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 91.1 m-85 51.34 35.25 13.41 Favored 'General case' 0 CA--C 1.538 0.505 0 C-N-CA 123.782 0.833 . . . . 0.0 111.485 -172.144 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 68.05 8.48 54.13 Favored Glycine 0 CA--C 1.535 1.333 0 CA-C-O 119.157 -0.802 . . . . 0.0 114.188 179.953 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 4.8 m -117.4 138.14 52.01 Favored 'General case' 0 N--CA 1.453 -0.286 0 C-N-CA 126.363 1.865 . . . . 0.0 109.014 -178.899 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -89.3 102.13 14.8 Favored 'General case' 0 CA--C 1.536 0.413 0 N-CA-C 107.361 -1.348 . . . . 0.0 107.361 173.091 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 71.5 m-85 -83.5 141.98 31.25 Favored 'General case' 0 N--CA 1.453 -0.291 0 C-N-CA 126.847 2.059 . . . . 0.0 108.162 178.022 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 27' ' ' CYS . . . . . 0.468 ' HA ' ' HA ' ' A' ' 17' ' ' PRO . 21.7 m . . . . . 0 C--N 1.345 0.404 0 N-CA-C 113.005 0.743 . . . . 0.0 113.005 -177.956 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 82.5 mt-30 . . . . . 0 N--CA 1.465 0.311 0 CA-C-O 121.36 0.6 . . . . 0.0 109.769 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 8.5 p -142.96 167.84 21.11 Favored 'General case' 0 N--CA 1.443 -0.784 0 C-N-CA 126.474 1.91 . . . . 0.0 107.948 -174.711 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 30.1 mt-30 -107.08 -34.35 7.18 Favored 'General case' 0 N--CA 1.451 -0.412 0 C-N-CA 126.315 1.846 . . . . 0.0 109.782 168.856 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 1.4 p -156.08 172.54 18.25 Favored 'General case' 0 CA--C 1.513 -0.455 0 CA-C-O 121.992 0.901 . . . . 0.0 110.5 178.131 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 8.4 p -51.64 -34.57 16.24 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.646 0 CA-C-N 115.284 -0.871 . . . . 0.0 111.866 -176.398 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 99.5 mtt180 -46.26 -45.96 17.53 Favored 'General case' 0 CA--C 1.532 0.28 0 C-N-CA 124.993 1.317 . . . . 0.0 112.419 173.561 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 46.0 m-20 -56.46 -51.85 66.91 Favored 'General case' 0 N--CA 1.449 -0.52 0 N-CA-C 108.617 -0.883 . . . . 0.0 108.617 178.356 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 10' ' ' CYS . . . . . 0.461 ' SG ' ' HB3' ' A' ' 17' ' ' PRO . 0.1 OUTLIER -58.64 -41.04 85.11 Favored 'General case' 0 C--O 1.215 -0.73 0 C-N-CA 117.968 -1.493 . . . . 0.0 110.976 174.633 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 41.6 mt-30 -58.99 -26.91 64.9 Favored 'General case' 0 CA--C 1.534 0.358 0 CA-C-N 120.784 1.629 . . . . 0.0 112.13 179.635 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 32.0 mt-30 -66.31 -43.17 87.01 Favored 'General case' 0 CA--C 1.534 0.346 0 CA-C-N 118.734 0.697 . . . . 0.0 110.489 169.575 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 65.2 m-85 -77.21 -60.18 2.47 Favored 'General case' 0 CA--C 1.543 0.679 0 N-CA-C 114.084 1.142 . . . . 0.0 114.084 -176.663 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 31.0 m -101.93 152.06 21.38 Favored 'General case' 0 C--N 1.333 -0.148 0 C-N-CA 128.151 2.58 . . . . 0.0 109.689 -171.129 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -74.72 -45.35 44.74 Favored 'General case' 0 N--CA 1.455 -0.199 0 N-CA-C 107.76 -1.2 . . . . 0.0 107.76 178.397 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 4.6 m -126.19 76.96 72.23 Favored Pre-proline 0 C--O 1.239 0.526 0 C-N-CA 123.533 0.733 . . . . 0.0 111.123 -176.685 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 17' ' ' PRO . . . . . 0.529 ' HA ' ' HA ' ' A' ' 27' ' ' CYS . 1.0 OUTLIER -66.21 158.66 53.65 Favored 'Trans proline' 0 N--CA 1.436 -1.888 0 C-N-CA 121.085 1.19 . . . . 0.0 113.219 177.421 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 29.4 t0 -88.91 -64.38 1.15 Allowed 'General case' 0 N--CA 1.452 -0.34 0 N-CA-C 106.007 -1.849 . . . . 0.0 106.007 173.215 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 1.6 ptt85 -162.55 153.02 16.82 Favored 'General case' 0 N--CA 1.448 -0.534 0 N-CA-C 109.073 -0.714 . . . . 0.0 109.073 -177.503 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 54.1 t -80.85 108.6 14.65 Favored 'General case' 0 N--CA 1.452 -0.368 0 N-CA-C 105.885 -1.895 . . . . 0.0 105.885 147.448 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 3.1 m -157.09 147.37 21.08 Favored 'General case' 0 N--CA 1.451 -0.384 0 N-CA-C 108.741 -0.836 . . . . 0.0 108.741 -173.165 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 73.1 m-85 49.26 41.66 20.5 Favored 'General case' 0 CA--C 1.538 0.494 0 C-N-CA 123.18 0.592 . . . . 0.0 110.461 -170.466 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 54.72 20.91 20.29 Favored Glycine 0 CA--C 1.535 1.32 0 C-N-CA 124.063 0.839 . . . . 0.0 113.996 -177.91 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 62.3 m -125.72 132.95 52.27 Favored 'General case' 0 N--CA 1.449 -0.493 0 C-N-CA 126.062 1.745 . . . . 0.0 107.324 -172.847 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 25' ' ' CYS . . . . . . . . . . . . 0.284 0.0 OUTLIER -84.92 86.42 7.37 Favored 'General case' 0 CA--C 1.535 0.366 0 CA-C-O 123.153 1.454 . . . . 0.0 107.574 172.932 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 68.5 m-85 -65.64 136.93 56.96 Favored 'General case' 0 N--CA 1.451 -0.378 0 C-N-CA 124.736 1.214 . . . . 0.0 108.371 176.073 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 27' ' ' CYS . . . . . 0.529 ' HA ' ' HA ' ' A' ' 17' ' ' PRO . 37.7 m . . . . . 0 C--N 1.343 0.308 0 O-C-N 123.527 0.517 . . . . 0.0 112.224 177.46 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 80.6 mt-30 . . . . . 0 CA--C 1.53 0.2 0 N-CA-C 108.826 -0.805 . . . . 0.0 108.826 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 12.0 p -145.13 157.41 44.1 Favored 'General case' 0 N--CA 1.447 -0.577 0 C-N-CA 125.83 1.652 . . . . 0.0 108.469 -174.128 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 32.2 tt0 -94.72 -34.18 12.64 Favored 'General case' 0 N--CA 1.455 -0.224 0 C-N-CA 125.095 1.358 . . . . 0.0 109.644 168.251 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 13.9 m -162.69 167.46 23.05 Favored 'General case' 0 C--O 1.225 -0.213 0 C-N-CA 124.01 0.924 . . . . 0.0 108.633 -173.399 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 9.8 p -47.23 -38.26 4.85 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.392 0 C-N-CA 124.024 0.93 . . . . 0.0 112.842 -175.357 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 81.3 mtt85 -49.18 -40.65 34.0 Favored 'General case' 0 CA--C 1.534 0.338 0 C-N-CA 124.219 1.007 . . . . 0.0 112.406 176.449 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 6.9 m-20 -62.87 -43.39 98.92 Favored 'General case' 0 N--CA 1.447 -0.58 0 N-CA-C 109.911 -0.403 . . . . 0.0 109.911 177.231 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 10' ' ' CYS . . . . . 0.471 ' HB3' ' CB ' ' A' ' 17' ' ' PRO . 0.5 OUTLIER -63.69 -35.71 81.44 Favored 'General case' 0 C--O 1.217 -0.619 0 C-N-CA 117.015 -1.874 . . . . 0.0 111.04 170.769 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 40.4 mt-30 -60.47 -38.84 85.5 Favored 'General case' 0 CA--C 1.534 0.347 0 CA-C-N 120.447 1.476 . . . . 0.0 110.158 -179.564 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 4.1 mt-30 -56.4 -40.05 74.03 Favored 'General case' 0 CA--C 1.54 0.581 0 O-C-N 122.126 -0.359 . . . . 0.0 110.257 170.221 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 4.1 t80 -77.15 -37.4 54.01 Favored 'General case' 0 CA--C 1.543 0.683 0 N-CA-C 114.792 1.404 . . . . 0.0 114.792 -176.789 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 7.5 m -142.9 139.3 30.73 Favored 'General case' 0 N--CA 1.463 0.222 0 C-N-CA 127.113 2.165 . . . . 0.0 108.491 -160.053 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -60.15 -48.99 79.39 Favored 'General case' 0 CA--C 1.534 0.362 0 N-CA-C 109.86 -0.422 . . . . 0.0 109.86 177.471 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 12.9 m -127.36 82.15 68.74 Favored Pre-proline 0 CA--C 1.535 0.379 0 C-N-CA 123.336 0.654 . . . . 0.0 111.803 -177.837 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 17' ' ' PRO . . . . . 0.527 ' HA ' ' HA ' ' A' ' 27' ' ' CYS . 2.4 Cg_endo -65.87 162.49 34.74 Favored 'Trans proline' 0 N--CA 1.436 -1.905 0 C-N-CA 121.533 1.489 . . . . 0.0 113.107 174.637 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 9.1 t0 -97.11 -57.23 2.32 Favored 'General case' 0 N--CA 1.452 -0.329 0 C-N-CA 125.877 1.671 . . . . 0.0 107.37 176.222 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 5.8 ptt-85 -158.13 155.25 28.81 Favored 'General case' 0 N--CA 1.452 -0.331 0 N-CA-C 109.695 -0.483 . . . . 0.0 109.695 175.586 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 41.6 t -87.93 117.89 27.09 Favored 'General case' 0 C--O 1.232 0.168 0 N-CA-C 105.217 -2.142 . . . . 0.0 105.217 147.524 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 2.0 m -162.03 141.33 9.67 Favored 'General case' 0 N--CA 1.451 -0.414 0 N-CA-C 108.483 -0.932 . . . . 0.0 108.483 -169.639 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 70.8 m-85 51.54 40.25 26.56 Favored 'General case' 0 CA--C 1.536 0.412 0 C-N-CA 123.384 0.674 . . . . 0.0 110.764 -171.484 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 54.75 18.73 11.7 Favored Glycine 0 CA--C 1.535 1.288 0 C-N-CA 124.28 0.943 . . . . 0.0 113.905 -176.889 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 55.1 m -120.9 137.05 54.78 Favored 'General case' 0 N--CA 1.45 -0.458 0 C-N-CA 126.538 1.935 . . . . 0.0 106.747 -174.421 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -93.99 98.84 11.29 Favored 'General case' 0 CA--C 1.537 0.443 0 CA-C-O 122.593 1.187 . . . . 0.0 108.018 177.238 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 50.2 m-85 -78.23 134.17 37.62 Favored 'General case' 0 N--CA 1.455 -0.207 0 C-N-CA 125.752 1.621 . . . . 0.0 108.065 177.308 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 27' ' ' CYS . . . . . 0.527 ' HA ' ' HA ' ' A' ' 17' ' ' PRO . 11.4 m . . . . . 0 C--N 1.343 0.305 0 C-N-CA 123.736 0.814 . . . . 0.0 111.348 173.458 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 81.3 mt-30 . . . . . 0 N--CA 1.463 0.196 0 N-CA-C 109.032 -0.729 . . . . 0.0 109.032 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 17.9 p -143.43 168.59 19.46 Favored 'General case' 0 N--CA 1.446 -0.657 0 C-N-CA 127.246 2.218 . . . . 0.0 108.764 -174.641 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 3.2 tt0 -112.27 -30.54 7.15 Favored 'General case' 0 N--CA 1.448 -0.542 0 C-N-CA 127.24 2.216 . . . . 0.0 110.476 171.455 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 33.4 m -160.92 160.58 31.05 Favored 'General case' 0 C--O 1.222 -0.37 0 C-N-CA 124.343 1.057 . . . . 0.0 108.359 -175.29 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 10.0 p -48.62 -34.8 5.88 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.54 0 O-C-N 121.349 -0.845 . . . . 0.0 113.024 -175.344 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 99.8 mtt180 -42.5 -46.41 4.81 Favored 'General case' 0 CA--C 1.533 0.291 0 C-N-CA 125.714 1.605 . . . . 0.0 112.543 172.301 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 29.9 m-20 -55.02 -55.52 30.07 Favored 'General case' 0 N--CA 1.449 -0.523 0 C-N-CA 124.059 0.944 . . . . 0.0 108.834 175.988 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 10' ' ' CYS . . . . . 0.49 ' HB3' ' CB ' ' A' ' 17' ' ' PRO . 0.1 OUTLIER -58.03 -35.63 71.57 Favored 'General case' 0 C--O 1.219 -0.537 0 CA-C-O 118.412 -0.804 . . . . 0.0 111.852 177.38 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 40.7 mt-30 -58.91 -22.78 60.32 Favored 'General case' 0 CA--C 1.539 0.533 0 CA-C-N 119.748 1.158 . . . . 0.0 111.283 179.407 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 33.2 mt-30 -80.55 -47.03 14.8 Favored 'General case' 0 CA--C 1.533 0.296 0 CA-C-N 118.353 0.524 . . . . 0.0 110.346 170.6 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 85.0 m-85 -69.57 -24.94 63.77 Favored 'General case' 0 CA--C 1.546 0.789 0 N-CA-C 113.349 0.87 . . . . 0.0 113.349 -175.957 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 19.5 m -148.87 139.45 22.63 Favored 'General case' 0 N--CA 1.463 0.213 0 C-N-CA 126.358 1.863 . . . . 0.0 108.449 -167.124 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 3.9 mm? -67.26 -41.51 85.43 Favored 'General case' 0 CA--C 1.53 0.207 0 N-CA-C 110.428 -0.212 . . . . 0.0 110.428 178.345 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 17.8 m -127.68 80.78 71.4 Favored Pre-proline 0 C--O 1.234 0.269 0 C-N-CA 122.982 0.513 . . . . 0.0 111.469 -179.221 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 17' ' ' PRO . . . . . 0.507 ' HA ' ' HA ' ' A' ' 27' ' ' CYS . 2.4 Cg_endo -68.19 157.95 59.59 Favored 'Trans proline' 0 N--CA 1.439 -1.719 0 C-N-CA 121.333 1.355 . . . . 0.0 114.607 176.662 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 17.8 t70 -86.17 -62.76 1.44 Allowed 'General case' 0 N--CA 1.453 -0.302 0 N-CA-C 106.28 -1.748 . . . . 0.0 106.28 171.33 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -162.47 154.49 18.71 Favored 'General case' 0 N--CA 1.451 -0.378 0 C-N-CA 123.858 0.863 . . . . 0.0 109.148 -177.757 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 53.9 t -82.34 113.84 20.4 Favored 'General case' 0 N--CA 1.455 -0.188 0 N-CA-C 105.735 -1.95 . . . . 0.0 105.735 146.588 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 2.4 m -159.77 144.6 15.14 Favored 'General case' 0 N--CA 1.45 -0.427 0 N-CA-C 108.075 -1.084 . . . . 0.0 108.075 -172.819 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER 55.83 38.48 30.1 Favored 'General case' 0 CA--C 1.543 0.679 0 CA-C-O 121.402 0.62 . . . . 0.0 110.399 -177.404 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 56.67 15.92 14.44 Favored Glycine 0 CA--C 1.536 1.386 0 C-N-CA 124.28 0.943 . . . . 0.0 114.064 -176.506 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 59.0 m -122.31 134.0 54.66 Favored 'General case' 0 N--CA 1.449 -0.481 0 C-N-CA 126.224 1.81 . . . . 0.0 107.122 -172.259 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 25' ' ' CYS . . . . . . . . . . . . 0.257 0.0 OUTLIER -86.22 89.51 7.87 Favored 'General case' 0 CA--C 1.534 0.365 0 N-CA-C 106.766 -1.568 . . . . 0.0 106.766 171.412 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 44.7 m-85 -68.79 131.75 45.67 Favored 'General case' 0 N--CA 1.451 -0.405 0 N-CA-C 107.733 -1.21 . . . . 0.0 107.733 177.114 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 27' ' ' CYS . . . . . 0.507 ' HA ' ' HA ' ' A' ' 17' ' ' PRO . 44.7 m . . . . . 0 C--N 1.341 0.201 0 CA-C-N 118.28 0.491 . . . . 0.0 111.251 178.804 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 82.8 mt-30 . . . . . 0 CA--C 1.531 0.245 0 N-CA-C 109.703 -0.48 . . . . 0.0 109.703 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 13.5 p -145.16 175.15 10.47 Favored 'General case' 0 N--CA 1.449 -0.489 0 C-N-CA 126.504 1.921 . . . . 0.0 108.844 -174.007 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 35.4 mt-30 -113.55 -33.46 5.87 Favored 'General case' 0 CA--C 1.535 0.372 0 C-N-CA 127.624 2.37 . . . . 0.0 110.507 166.19 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 26.3 m -159.74 164.1 34.13 Favored 'General case' 0 C--O 1.222 -0.353 0 CA-C-N 119.426 1.012 . . . . 0.0 108.815 -175.507 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 10.0 p -49.81 -35.23 10.1 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.568 0 O-C-N 121.237 -0.915 . . . . 0.0 113.054 -174.097 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 62.6 ttt180 -46.92 -37.61 9.24 Favored 'General case' 0 CA--C 1.536 0.435 0 C-N-CA 125.811 1.644 . . . . 0.0 113.018 174.548 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 56.6 m-20 -61.43 -57.65 11.34 Favored 'General case' 0 N--CA 1.448 -0.568 0 C-N-CA 124.147 0.979 . . . . 0.0 108.398 173.991 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 10' ' ' CYS . . . . . 0.476 ' HB3' ' CB ' ' A' ' 17' ' ' PRO . 0.1 OUTLIER -57.15 -34.37 68.35 Favored 'General case' 0 N--CA 1.449 -0.485 0 C-N-CA 119.578 -0.849 . . . . 0.0 112.007 179.449 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 39.7 mt-30 -58.13 -22.49 51.27 Favored 'General case' 0 CA--C 1.539 0.534 0 CA-C-N 119.258 0.935 . . . . 0.0 111.329 180.0 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 36.1 mt-30 -84.9 -44.78 12.87 Favored 'General case' 0 CA--C 1.534 0.364 0 C-N-CA 123.269 0.628 . . . . 0.0 109.805 173.206 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 90.2 m-85 -66.21 -28.03 68.43 Favored 'General case' 0 CA--C 1.542 0.667 0 N-CA-C 113.412 0.893 . . . . 0.0 113.412 179.984 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 15.5 m -145.22 136.49 25.01 Favored 'General case' 0 CA--C 1.522 -0.13 0 C-N-CA 125.916 1.686 . . . . 0.0 108.702 -165.164 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -68.16 -24.25 64.96 Favored 'General case' 0 CA--C 1.536 0.422 0 C-N-CA 122.53 0.332 . . . . 0.0 111.024 177.228 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 6.7 m -147.83 80.4 8.88 Favored Pre-proline 0 C--O 1.235 0.319 0 O-C-N 120.935 -1.103 . . . . 0.0 111.463 177.936 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 17' ' ' PRO . . . . . 0.537 ' HA ' ' HA ' ' A' ' 27' ' ' CYS . 8.9 Cg_endo -64.62 162.8 29.79 Favored 'Trans proline' 0 N--CA 1.435 -1.919 0 C-N-CA 122.529 2.152 . . . . 0.0 113.088 174.831 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 24.8 t70 -96.12 -60.85 1.54 Allowed 'General case' 0 N--CA 1.449 -0.497 0 C-N-CA 125.932 1.693 . . . . 0.0 107.249 169.804 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 7.7 ptt-85 -159.15 149.72 19.59 Favored 'General case' 0 N--CA 1.443 -0.823 0 N-CA-C 110.163 -0.31 . . . . 0.0 110.163 -176.104 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 41.6 t -86.7 111.95 21.18 Favored 'General case' 0 C--N 1.333 -0.152 0 N-CA-C 105.543 -2.021 . . . . 0.0 105.543 151.989 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 3.2 m -162.11 143.29 10.66 Favored 'General case' 0 N--CA 1.45 -0.427 0 N-CA-C 108.257 -1.016 . . . . 0.0 108.257 -169.355 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 45.4 t80 52.96 41.96 32.12 Favored 'General case' 0 CA--C 1.539 0.542 0 CA-C-O 121.525 0.679 . . . . 0.0 110.78 -176.828 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 57.6 12.88 10.45 Favored Glycine 0 CA--C 1.536 1.386 0 C-N-CA 124.379 0.99 . . . . 0.0 114.317 -177.548 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 41.2 m -119.36 134.66 55.1 Favored 'General case' 0 N--CA 1.45 -0.455 0 C-N-CA 126.051 1.74 . . . . 0.0 107.275 -172.524 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 25' ' ' CYS . . . . . . . . . . . . 0.28 0.1 OUTLIER -91.91 87.6 6.29 Favored 'General case' 0 CA--C 1.536 0.439 0 CA-C-O 123.291 1.519 . . . . 0.0 107.387 172.531 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 58.5 m-85 -65.85 139.41 58.3 Favored 'General case' 0 N--CA 1.453 -0.32 0 C-N-CA 125.537 1.535 . . . . 0.0 109.02 177.699 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 27' ' ' CYS . . . . . 0.537 ' HA ' ' HA ' ' A' ' 17' ' ' PRO . 7.6 m . . . . . 0 C--N 1.343 0.311 0 C-N-CA 124.551 1.14 . . . . 0.0 111.92 176.979 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 82.0 mt-30 . . . . . 0 N--CA 1.464 0.228 0 N-CA-C 109.187 -0.672 . . . . 0.0 109.187 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 4' ' ' CYS . . . . . 0.428 ' HB2' ' HB2' ' A' ' 9' ' ' ASP . 12.1 p -148.28 162.18 40.03 Favored 'General case' 0 N--CA 1.443 -0.806 0 C-N-CA 125.915 1.686 . . . . 0.0 108.638 -175.178 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 7.0 tt0 -99.46 -39.4 8.37 Favored 'General case' 0 N--CA 1.447 -0.593 0 C-N-CA 126.713 2.005 . . . . 0.0 108.747 166.665 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 1.8 p -155.29 174.08 15.72 Favored 'General case' 0 C--O 1.221 -0.445 0 CA-C-O 122.015 0.912 . . . . 0.0 111.333 179.889 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 7.9 p -50.27 -36.78 13.42 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.549 0 CA-C-N 115.537 -0.756 . . . . 0.0 112.636 -173.75 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 3.8 mpt_? -49.03 -45.18 42.3 Favored 'General case' 0 CA--C 1.534 0.327 0 C-N-CA 124.605 1.162 . . . . 0.0 112.025 175.438 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 9' ' ' ASP . . . . . 0.428 ' HB2' ' HB2' ' A' ' 4' ' ' CYS . 49.1 m-20 -54.94 -52.0 64.36 Favored 'General case' 0 N--CA 1.447 -0.603 0 N-CA-C 108.436 -0.95 . . . . 0.0 108.436 176.818 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 10' ' ' CYS . . . . . 0.476 ' SG ' ' HB3' ' A' ' 17' ' ' PRO . 0.1 OUTLIER -61.27 -39.58 90.94 Favored 'General case' 0 C--O 1.215 -0.744 0 C-N-CA 117.108 -1.837 . . . . 0.0 111.442 175.485 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 41.3 mt-30 -56.52 -35.2 67.79 Favored 'General case' 0 CA--C 1.534 0.357 0 CA-C-N 120.946 1.703 . . . . 0.0 110.789 179.287 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 5.7 mt-30 -63.54 -38.49 91.31 Favored 'General case' 0 CA--C 1.539 0.527 0 O-C-N 122.237 -0.29 . . . . 0.0 110.941 173.959 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 5.9 m-85 -73.68 -62.57 1.45 Allowed 'General case' 0 CA--C 1.545 0.772 0 CA-C-N 118.589 0.631 . . . . 0.0 112.605 178.036 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 21.9 m -111.86 141.58 45.32 Favored 'General case' 0 C--O 1.226 -0.135 0 C-N-CA 129.626 3.17 . . . . 0.0 109.292 -162.785 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 3.7 mm? -59.7 -46.15 89.94 Favored 'General case' 0 CA--C 1.531 0.238 0 C-N-CA 122.498 0.319 . . . . 0.0 110.266 175.405 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 11.9 m -129.25 79.64 73.88 Favored Pre-proline 0 C--O 1.235 0.342 0 C-N-CA 123.28 0.632 . . . . 0.0 111.312 -174.345 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 17' ' ' PRO . . . . . 0.539 ' HA ' ' HA ' ' A' ' 27' ' ' CYS . 1.0 OUTLIER -66.66 154.98 72.5 Favored 'Trans proline' 0 N--CA 1.436 -1.887 0 C-N-CA 121.013 1.142 . . . . 0.0 113.111 177.009 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 28.7 t70 -81.89 -61.76 1.83 Allowed 'General case' 0 N--CA 1.454 -0.264 0 N-CA-C 106.038 -1.838 . . . . 0.0 106.038 170.693 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 1.9 ptt85 -163.66 155.02 16.62 Favored 'General case' 0 N--CA 1.448 -0.547 0 N-CA-C 108.902 -0.777 . . . . 0.0 108.902 -178.412 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 52.9 t -82.12 112.6 19.31 Favored 'General case' 0 N--CA 1.453 -0.287 0 N-CA-C 105.531 -2.025 . . . . 0.0 105.531 145.767 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 2.4 m -155.75 141.42 17.92 Favored 'General case' 0 N--CA 1.45 -0.456 0 N-CA-C 108.792 -0.818 . . . . 0.0 108.792 -174.375 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 89.3 m-85 47.69 46.63 18.14 Favored 'General case' 0 CA--C 1.537 0.454 0 C-N-CA 123.702 0.801 . . . . 0.0 110.935 -172.107 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 57.33 14.42 12.67 Favored Glycine 0 CA--C 1.536 1.378 0 C-N-CA 124.421 1.01 . . . . 0.0 114.25 -179.868 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 35.4 m -117.51 129.31 55.72 Favored 'General case' 0 N--CA 1.448 -0.549 0 C-N-CA 125.91 1.684 . . . . 0.0 106.948 -174.118 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 25' ' ' CYS . . . . . . . . . . . . 0.254 0.0 OUTLIER -85.03 86.96 7.34 Favored 'General case' 0 CA--C 1.534 0.337 0 N-CA-C 106.636 -1.616 . . . . 0.0 106.636 172.016 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 69.2 m-85 -68.03 132.6 47.57 Favored 'General case' 0 N--CA 1.45 -0.443 0 CA-C-N 114.455 -1.248 . . . . 0.0 107.811 177.165 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 27' ' ' CYS . . . . . 0.539 ' HA ' ' HA ' ' A' ' 17' ' ' PRO . 36.1 m . . . . . 0 C--N 1.341 0.234 0 CA-C-N 118.477 0.58 . . . . 0.0 111.123 175.745 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 86.4 mt-30 . . . . . 0 N--CA 1.455 -0.182 0 N-CA-C 110.199 -0.297 . . . . 0.0 110.199 . . . . . . . . . 0 0 . 1 . 021 nuclear nobuild core ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 7.1 p -133.3 142.01 48.27 Favored 'General case' 0 CA--C 1.513 -0.443 0 C-N-CA 125.04 1.336 . . . . 0.0 110.02 -170.852 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 32.7 mt-30 -73.05 -34.91 66.58 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.139 -0.937 . . . . 0.0 109.594 174.024 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 4.4 m -173.1 171.82 4.05 Favored 'General case' 0 CA--C 1.53 0.182 0 C-N-CA 126.311 1.845 . . . . 0.0 106.76 -174.338 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 9.6 p -45.97 -39.52 3.27 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.405 0 C-N-CA 124.481 1.112 . . . . 0.0 113.01 -177.464 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 3.9 mpt_? -44.53 -45.14 9.16 Favored 'General case' 0 N--CA 1.464 0.245 0 C-N-CA 124.353 1.061 . . . . 0.0 112.152 174.804 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 3.2 m-20 -62.5 -43.69 98.19 Favored 'General case' 0 N--CA 1.45 -0.472 0 N-CA-C 109.87 -0.419 . . . . 0.0 109.87 -179.381 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 10' ' ' CYS . . . . . 0.475 ' SG ' ' HB3' ' A' ' 17' ' ' PRO . 0.2 OUTLIER -64.81 -35.56 81.48 Favored 'General case' 0 C--O 1.217 -0.642 0 C-N-CA 117.27 -1.772 . . . . 0.0 111.378 171.586 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 43.1 mt-30 -61.13 -39.12 88.85 Favored 'General case' 0 CA--C 1.533 0.291 0 CA-C-N 120.401 1.455 . . . . 0.0 110.003 -178.688 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 5.0 mt-30 -56.03 -44.27 78.59 Favored 'General case' 0 CA--C 1.538 0.497 0 N-CA-C 110.092 -0.336 . . . . 0.0 110.092 170.93 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 17.9 t80 -73.39 -39.78 64.84 Favored 'General case' 0 CA--C 1.539 0.527 0 N-CA-C 114.509 1.3 . . . . 0.0 114.509 -175.017 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 9.1 m -137.45 137.39 38.69 Favored 'General case' 0 N--CA 1.464 0.228 0 C-N-CA 126.657 1.983 . . . . 0.0 109.851 -160.186 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 3.6 mm? -64.65 -25.92 68.16 Favored 'General case' 0 CA--C 1.534 0.334 0 C-N-CA 123.243 0.617 . . . . 0.0 111.585 179.059 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 12.5 m -150.16 81.25 6.87 Favored Pre-proline 0 C--O 1.235 0.315 0 O-C-N 121.294 -0.879 . . . . 0.0 111.285 177.643 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 17' ' ' PRO . . . . . 0.518 ' HA ' ' HA ' ' A' ' 27' ' ' CYS . 4.6 Cg_endo -63.01 150.95 87.14 Favored 'Trans proline' 0 N--CA 1.431 -2.188 0 C-N-CA 121.448 1.432 . . . . 0.0 112.541 175.546 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 8.3 t70 -80.47 -60.03 2.47 Favored 'General case' 0 N--CA 1.449 -0.476 0 N-CA-C 106.564 -1.643 . . . . 0.0 106.564 170.95 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 9.0 ptt-85 -160.62 154.55 22.75 Favored 'General case' 0 N--CA 1.442 -0.869 0 C-N-CA 122.371 0.268 . . . . 0.0 110.393 -177.783 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 54.0 t -91.98 108.96 20.31 Favored 'General case' 0 C--N 1.334 -0.101 0 N-CA-C 105.475 -2.046 . . . . 0.0 105.475 152.664 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 3.6 m -162.23 147.86 12.92 Favored 'General case' 0 N--CA 1.452 -0.331 0 N-CA-C 108.436 -0.95 . . . . 0.0 108.436 -167.108 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 75.1 m-85 51.17 39.83 24.5 Favored 'General case' 0 CA--C 1.539 0.521 0 C-N-CA 123.251 0.62 . . . . 0.0 110.346 -171.073 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 56.06 16.45 13.48 Favored Glycine 0 CA--C 1.533 1.172 0 C-N-CA 124.125 0.869 . . . . 0.0 114.224 -176.966 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 77.4 m -121.91 137.22 54.87 Favored 'General case' 0 N--CA 1.452 -0.352 0 C-N-CA 126.569 1.948 . . . . 0.0 107.41 -171.879 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -90.24 91.89 8.7 Favored 'General case' 0 CA--C 1.534 0.362 0 CA-C-O 123.119 1.438 . . . . 0.0 107.207 172.933 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 47.8 m-85 -71.77 129.48 38.75 Favored 'General case' 0 N--CA 1.451 -0.397 0 C-N-CA 124.937 1.295 . . . . 0.0 108.13 176.476 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 27' ' ' CYS . . . . . 0.518 ' HA ' ' HA ' ' A' ' 17' ' ' PRO . 34.4 m . . . . . 0 C--N 1.343 0.291 0 CA-C-N 118.606 0.639 . . . . 0.0 111.475 173.276 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 78.2 mt-30 . . . . . 0 CA--C 1.535 0.376 0 N-CA-C 109.268 -0.642 . . . . 0.0 109.268 . . . . . . . . . 0 0 . 1 . 022 nuclear nobuild core ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 10.7 p -136.77 164.13 29.0 Favored 'General case' 0 N--CA 1.454 -0.241 0 C-N-CA 126.222 1.809 . . . . 0.0 107.845 168.28 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 2.9 tt0 -97.47 -41.19 8.31 Favored 'General case' 0 N--CA 1.45 -0.464 0 C-N-CA 125.656 1.583 . . . . 0.0 108.833 167.012 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 22.9 m -158.98 155.38 27.46 Favored 'General case' 0 C--O 1.223 -0.307 0 N-CA-C 108.634 -0.876 . . . . 0.0 108.634 -165.675 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 9.4 p -45.43 -36.63 1.93 Allowed 'Isoleucine or valine' 0 CA--C 1.536 0.406 0 N-CA-C 113.473 0.916 . . . . 0.0 113.473 -172.409 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 44.5 ttt85 -47.56 -41.44 21.46 Favored 'General case' 0 CA--C 1.537 0.45 0 C-N-CA 125.016 1.326 . . . . 0.0 113.306 175.586 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 52.1 m-20 -52.61 -52.93 53.05 Favored 'General case' 0 N--CA 1.45 -0.473 0 C-N-CA 124.16 0.984 . . . . 0.0 108.66 173.427 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 10' ' ' CYS . . . . . 0.486 ' HB3' ' CB ' ' A' ' 17' ' ' PRO . 0.1 OUTLIER -63.32 -36.39 83.55 Favored 'General case' 0 N--CA 1.445 -0.688 0 CA-C-O 117.94 -1.029 . . . . 0.0 111.851 175.157 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 45.4 mt-30 -58.04 -34.15 69.75 Favored 'General case' 0 N--CA 1.466 0.345 0 CA-C-N 120.617 1.553 . . . . 0.0 110.728 -179.067 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 32.2 mt-30 -66.55 -45.72 78.44 Favored 'General case' 0 CA--C 1.535 0.399 0 O-C-N 122.155 -0.341 . . . . 0.0 110.364 171.786 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 22.9 t80 -67.24 -40.7 86.36 Favored 'General case' 0 CA--C 1.538 0.501 0 N-CA-C 114.263 1.208 . . . . 0.0 114.263 -174.665 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 13.0 m -137.08 138.89 40.87 Favored 'General case' 0 C--N 1.331 -0.221 0 C-N-CA 127.831 2.452 . . . . 0.0 108.685 -163.573 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -62.22 -46.84 87.06 Favored 'General case' 0 CA--C 1.534 0.352 0 N-CA-C 109.753 -0.462 . . . . 0.0 109.753 177.922 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 18.0 m -124.8 81.49 61.46 Favored Pre-proline 0 C--O 1.235 0.322 0 C-N-CA 123.427 0.691 . . . . 0.0 111.68 -178.457 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 17' ' ' PRO . . . . . 0.526 ' HA ' ' HA ' ' A' ' 27' ' ' CYS . 4.9 Cg_endo -68.05 161.2 45.31 Favored 'Trans proline' 0 N--CA 1.434 -2.022 0 C-N-CA 120.674 0.916 . . . . 0.0 113.356 174.573 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 14.3 t0 -87.97 -62.32 1.52 Allowed 'General case' 0 N--CA 1.448 -0.536 0 N-CA-C 107.224 -1.398 . . . . 0.0 107.224 171.6 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -161.84 156.07 22.16 Favored 'General case' 0 N--CA 1.45 -0.449 0 C-N-CA 123.918 0.887 . . . . 0.0 108.679 -176.064 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 52.8 t -84.39 113.7 21.36 Favored 'General case' 0 N--CA 1.455 -0.204 0 N-CA-C 105.554 -2.017 . . . . 0.0 105.554 146.715 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 2.5 m -159.33 147.14 17.44 Favored 'General case' 0 N--CA 1.449 -0.504 0 N-CA-C 108.665 -0.865 . . . . 0.0 108.665 -171.964 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 10.1 t80 55.48 30.06 14.44 Favored 'General case' 0 CA--C 1.54 0.57 0 C-N-CA 123.217 0.607 . . . . 0.0 111.837 -176.922 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 71.9 6.73 64.43 Favored Glycine 0 CA--C 1.536 1.396 0 CA-C-O 119.296 -0.724 . . . . 0.0 114.034 -178.558 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 23.3 m -120.54 139.03 53.52 Favored 'General case' 0 N--CA 1.454 -0.228 0 C-N-CA 126.596 1.959 . . . . 0.0 109.335 -176.676 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -81.94 92.14 6.69 Favored 'General case' 0 CA--C 1.532 0.267 0 N-CA-C 106.728 -1.582 . . . . 0.0 106.728 168.744 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 41.6 m-85 -69.85 124.68 24.63 Favored 'General case' 0 N--CA 1.449 -0.487 0 N-CA-C 106.908 -1.515 . . . . 0.0 106.908 175.767 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 27' ' ' CYS . . . . . 0.526 ' HA ' ' HA ' ' A' ' 17' ' ' PRO . 57.4 m . . . . . 0 C--N 1.34 0.174 0 CA-C-N 118.717 0.69 . . . . 0.0 110.031 172.681 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 82.8 mt-30 . . . . . 0 N--CA 1.464 0.231 0 N-CA-C 108.966 -0.753 . . . . 0.0 108.966 . . . . . . . . . 0 0 . 1 . 023 nuclear nobuild core ' A' A ' 4' ' ' CYS . . . . . 0.433 ' HB2' ' HB2' ' A' ' 9' ' ' ASP . 13.5 p -138.32 166.47 24.14 Favored 'General case' 0 N--CA 1.446 -0.645 0 C-N-CA 126.907 2.083 . . . . 0.0 108.72 -177.164 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 6.8 tt0 -103.81 -38.76 6.91 Favored 'General case' 0 N--CA 1.451 -0.383 0 C-N-CA 126.955 2.102 . . . . 0.0 109.178 166.884 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 2.6 p -155.78 177.92 10.85 Favored 'General case' 0 CA--C 1.513 -0.458 0 CA-C-O 122.269 1.033 . . . . 0.0 110.685 179.441 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 8.8 p -54.12 -35.58 29.68 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.768 0 CA-C-N 115.419 -0.81 . . . . 0.0 112.051 -176.177 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -41.56 -45.66 3.37 Favored 'General case' 0 CA--C 1.536 0.405 0 C-N-CA 125.353 1.461 . . . . 0.0 112.796 170.204 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 9' ' ' ASP . . . . . 0.433 ' HB2' ' HB2' ' A' ' 4' ' ' CYS . 32.3 m-20 -61.24 -55.89 26.84 Favored 'General case' 0 N--CA 1.448 -0.568 0 N-CA-C 108.241 -1.022 . . . . 0.0 108.241 179.398 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 10' ' ' CYS . . . . . 0.5 ' SG ' ' HB3' ' A' ' 17' ' ' PRO . 0.1 OUTLIER -57.68 -35.76 71.03 Favored 'General case' 0 C--O 1.22 -0.489 0 C-N-CA 119.223 -0.991 . . . . 0.0 112.175 179.195 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 39.8 mt-30 -56.67 -25.22 53.27 Favored 'General case' 0 CA--C 1.536 0.434 0 CA-C-N 119.512 1.051 . . . . 0.0 111.696 179.223 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 34.2 mt-30 -83.52 -44.17 14.97 Favored 'General case' 0 CA--C 1.532 0.273 0 C-N-CA 122.826 0.45 . . . . 0.0 109.918 174.675 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 83.5 m-85 -68.67 -25.28 64.73 Favored 'General case' 0 CA--C 1.544 0.744 0 N-CA-C 113.113 0.782 . . . . 0.0 113.113 -179.563 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 26.5 m -150.74 139.18 20.45 Favored 'General case' 0 N--CA 1.461 0.124 0 C-N-CA 125.89 1.676 . . . . 0.0 109.209 -165.283 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -63.82 -47.38 81.05 Favored 'General case' 0 CA--C 1.535 0.38 0 N-CA-C 109.635 -0.506 . . . . 0.0 109.635 177.088 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 7.2 m -125.64 76.52 69.9 Favored Pre-proline 0 CA--C 1.534 0.328 0 C-N-CA 123.385 0.674 . . . . 0.0 112.169 -174.977 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 17' ' ' PRO . . . . . 0.5 ' HB3' ' SG ' ' A' ' 10' ' ' CYS . 1.7 Cg_endo -65.0 153.68 77.12 Favored 'Trans proline' 0 N--CA 1.435 -1.937 0 C-N-CA 121.328 1.352 . . . . 0.0 113.449 177.757 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 14.0 t0 -88.38 -60.54 1.94 Allowed 'General case' 0 N--CA 1.451 -0.39 0 N-CA-C 106.905 -1.517 . . . . 0.0 106.905 174.594 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 1.9 ptt-85 -158.95 149.89 20.08 Favored 'General case' 0 N--CA 1.45 -0.443 0 C-N-CA 122.99 0.516 . . . . 0.0 109.874 176.613 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 46.5 t -82.1 113.05 19.7 Favored 'General case' 0 C--N 1.332 -0.194 0 N-CA-C 105.633 -1.988 . . . . 0.0 105.633 148.734 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 2.5 m -160.61 143.1 12.9 Favored 'General case' 0 N--CA 1.452 -0.357 0 N-CA-C 108.495 -0.928 . . . . 0.0 108.495 -170.425 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 88.7 m-85 49.72 43.15 24.41 Favored 'General case' 0 CA--C 1.538 0.496 0 C-N-CA 123.46 0.704 . . . . 0.0 111.118 -173.108 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 56.91 16.7 18.96 Favored Glycine 0 CA--C 1.536 1.362 0 C-N-CA 123.954 0.788 . . . . 0.0 113.978 -178.743 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 56.1 m -123.18 133.36 54.25 Favored 'General case' 0 N--CA 1.448 -0.557 0 C-N-CA 126.18 1.792 . . . . 0.0 107.1 -172.818 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 25' ' ' CYS . . . . . . . . . . . . 0.282 0.0 OUTLIER -90.96 88.05 6.86 Favored 'General case' 0 CA--C 1.535 0.39 0 CA-C-O 123.12 1.438 . . . . 0.0 107.67 175.407 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild core ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 56.3 m-85 -65.9 131.87 47.28 Favored 'General case' 0 N--CA 1.453 -0.31 0 C-N-CA 124.893 1.277 . . . . 0.0 108.044 176.677 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 27' ' ' CYS . . . . . 0.481 ' HA ' ' HA ' ' A' ' 17' ' ' PRO . 36.8 m . . . . . 0 CA--C 1.519 -0.239 0 C-N-CA 123.219 0.608 . . . . 0.0 111.085 178.334 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 81.7 mt-30 . . . . . 0 N--CA 1.462 0.146 0 N-CA-C 108.984 -0.747 . . . . 0.0 108.984 . . . . . . . . . 0 0 . 1 . 024 nuclear nobuild core ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 12.5 p -140.89 165.24 28.06 Favored 'General case' 0 N--CA 1.445 -0.713 0 C-N-CA 126.203 1.801 . . . . 0.0 108.575 -176.277 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -104.11 -36.98 7.51 Favored 'General case' 0 N--CA 1.448 -0.567 0 C-N-CA 126.738 2.015 . . . . 0.0 109.227 170.383 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 6.1 m -162.66 162.84 27.17 Favored 'General case' 0 C--O 1.222 -0.368 0 C-N-CA 124.044 0.937 . . . . 0.0 109.062 -174.149 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 9.1 p -47.56 -35.44 4.18 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.521 0 N-CA-C 113.692 0.997 . . . . 0.0 113.692 -172.01 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 8.5 mmp_? -36.92 -52.64 0.94 Allowed 'General case' 0 CA--C 1.535 0.367 0 C-N-CA 125.394 1.477 . . . . 0.0 112.793 168.896 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 33.6 m-20 -51.95 -55.77 18.32 Favored 'General case' 0 N--CA 1.447 -0.589 0 C-N-CA 124.858 1.263 . . . . 0.0 108.975 178.704 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 10' ' ' CYS . . . . . 0.462 ' SG ' ' HB3' ' A' ' 17' ' ' PRO . 0.1 OUTLIER -61.36 -37.77 84.56 Favored 'General case' 0 C--O 1.218 -0.587 0 C-N-CA 118.964 -1.094 . . . . 0.0 111.584 177.771 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 87.5 mt-30 -60.53 -33.22 72.33 Favored 'General case' 0 CA--C 1.53 0.196 0 CA-C-N 119.466 1.03 . . . . 0.0 110.441 -178.09 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 27.4 mt-30 -64.38 -43.56 94.11 Favored 'General case' 0 CA--C 1.536 0.433 0 O-C-N 122.072 -0.392 . . . . 0.0 110.428 170.334 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 27.9 m-85 -81.4 -20.91 39.48 Favored 'General case' 0 CA--C 1.542 0.662 0 N-CA-C 115.435 1.643 . . . . 0.0 115.435 -174.942 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 16.8 m -148.15 137.48 22.13 Favored 'General case' 0 C--O 1.225 -0.192 0 C-N-CA 125.547 1.539 . . . . 0.0 108.474 -166.759 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -61.63 -49.36 76.89 Favored 'General case' 0 CA--C 1.533 0.325 0 N-CA-C 109.717 -0.475 . . . . 0.0 109.717 178.756 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 21.8 m -125.36 81.81 63.47 Favored Pre-proline 0 C--O 1.237 0.403 0 C-N-CA 123.482 0.713 . . . . 0.0 111.534 -178.979 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 17' ' ' PRO . . . . . 0.526 ' HA ' ' HA ' ' A' ' 27' ' ' CYS . 3.8 Cg_endo -65.99 157.49 59.1 Favored 'Trans proline' 0 N--CA 1.433 -2.066 0 C-N-CA 121.012 1.142 . . . . 0.0 112.451 173.691 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 31.1 t0 -83.62 -61.4 1.84 Allowed 'General case' 0 N--CA 1.448 -0.538 0 N-CA-C 107.048 -1.464 . . . . 0.0 107.048 167.806 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 1.2 ptt85 -162.1 154.53 19.58 Favored 'General case' 0 N--CA 1.449 -0.496 0 N-CA-C 109.313 -0.625 . . . . 0.0 109.313 -176.306 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 50.4 t -81.28 112.7 18.83 Favored 'General case' 0 N--CA 1.454 -0.272 0 N-CA-C 105.613 -1.995 . . . . 0.0 105.613 145.159 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 2.3 m -156.62 144.13 19.12 Favored 'General case' 0 N--CA 1.45 -0.447 0 O-C-N 121.353 -0.842 . . . . 0.0 109.062 -173.866 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 96.2 m-85 49.33 42.53 22.19 Favored 'General case' 0 CA--C 1.538 0.489 0 C-N-CA 123.44 0.696 . . . . 0.0 110.815 -171.176 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 55.62 17.93 15.05 Favored Glycine 0 CA--C 1.535 1.309 0 C-N-CA 124.109 0.861 . . . . 0.0 114.013 -178.27 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 57.2 m -121.93 133.87 54.85 Favored 'General case' 0 N--CA 1.449 -0.5 0 C-N-CA 126.416 1.886 . . . . 0.0 106.936 -173.572 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 25' ' ' CYS . . . . . . . . . . . . 0.263 0.0 OUTLIER -87.39 92.33 9.04 Favored 'General case' 0 CA--C 1.535 0.396 0 CA-C-O 122.836 1.303 . . . . 0.0 107.623 174.152 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild core ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 50.7 m-85 -70.45 130.02 40.8 Favored 'General case' 0 N--CA 1.452 -0.37 0 C-N-CA 124.713 1.205 . . . . 0.0 108.249 176.876 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 27' ' ' CYS . . . . . 0.526 ' HA ' ' HA ' ' A' ' 17' ' ' PRO . 33.2 m . . . . . 0 C--N 1.343 0.285 0 C-N-CA 123.275 0.63 . . . . 0.0 111.743 174.477 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 80.9 mt-30 . . . . . 0 CA--C 1.53 0.197 0 N-CA-C 110.305 -0.257 . . . . 0.0 110.305 . . . . . . . . . 0 0 . 1 . 025 nuclear nobuild core ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 4.6 p -137.29 153.55 50.28 Favored 'General case' 0 N--CA 1.449 -0.494 0 C-N-CA 125.71 1.604 . . . . 0.0 108.642 178.529 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 8.5 tt0 -78.9 -42.68 26.59 Favored 'General case' 0 N--CA 1.451 -0.404 0 C-N-CA 124.614 1.166 . . . . 0.0 109.611 166.671 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 5.8 m -170.18 174.33 5.43 Favored 'General case' 0 CA--C 1.53 0.187 0 C-N-CA 125.93 1.692 . . . . 0.0 107.109 -172.457 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 9.4 p -51.01 -33.13 12.72 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.53 0 C-N-CA 124.115 0.966 . . . . 0.0 113.092 -176.748 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 81.3 mtt-85 -46.99 -44.03 19.84 Favored 'General case' 0 CA--C 1.533 0.309 0 C-N-CA 123.622 0.769 . . . . 0.0 112.262 171.12 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -62.02 -49.7 75.0 Favored 'General case' 0 N--CA 1.451 -0.395 0 N-CA-C 109.253 -0.647 . . . . 0.0 109.253 -179.856 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 10' ' ' CYS . . . . . 0.474 ' SG ' ' HB3' ' A' ' 17' ' ' PRO . 0.1 OUTLIER -61.15 -34.95 75.84 Favored 'General case' 0 C--O 1.218 -0.573 0 C-N-CA 117.157 -1.817 . . . . 0.0 111.172 176.25 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 40.7 mt-30 -59.98 -39.26 85.09 Favored 'General case' 0 CA--C 1.532 0.288 0 CA-C-N 119.841 1.201 . . . . 0.0 111.306 -178.126 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 18.1 pt20 -68.94 -28.19 66.42 Favored 'General case' 0 N--CA 1.444 -0.748 0 CA-C-N 119.184 0.902 . . . . 0.0 112.071 171.961 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 10.1 t80 -77.59 -36.72 51.65 Favored 'General case' 0 CA--C 1.539 0.539 0 N-CA-C 113.971 1.1 . . . . 0.0 113.971 -179.433 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 7.6 m -141.59 136.48 31.08 Favored 'General case' 0 N--CA 1.462 0.161 0 C-N-CA 127.054 2.141 . . . . 0.0 108.673 -163.271 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -66.61 -23.34 66.16 Favored 'General case' 0 CA--C 1.538 0.484 0 O-C-N 122.25 -0.281 . . . . 0.0 111.502 178.776 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 8.2 m -149.03 80.12 8.12 Favored Pre-proline 0 C--O 1.238 0.477 0 O-C-N 120.991 -1.068 . . . . 0.0 111.507 176.644 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 17' ' ' PRO . . . . . 0.514 ' HA ' ' HA ' ' A' ' 27' ' ' CYS . 6.8 Cg_endo -63.5 162.35 27.94 Favored 'Trans proline' 0 N--CA 1.432 -2.141 0 C-N-CA 122.139 1.892 . . . . 0.0 112.682 174.988 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 25.4 t0 -92.05 -60.69 1.79 Allowed 'General case' 0 N--CA 1.448 -0.566 0 N-CA-C 105.834 -1.913 . . . . 0.0 105.834 172.476 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 1.6 ptt85 -163.53 154.12 15.95 Favored 'General case' 0 N--CA 1.448 -0.552 0 N-CA-C 108.91 -0.774 . . . . 0.0 108.91 -177.999 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 53.3 t -82.23 111.69 18.55 Favored 'General case' 0 N--CA 1.454 -0.247 0 N-CA-C 105.381 -2.081 . . . . 0.0 105.381 146.629 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 2.4 m -156.56 144.32 19.34 Favored 'General case' 0 N--CA 1.449 -0.502 0 N-CA-C 108.686 -0.857 . . . . 0.0 108.686 -172.993 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 35.8 t80 51.22 42.41 28.85 Favored 'General case' 0 CA--C 1.538 0.512 0 CA-C-O 121.572 0.701 . . . . 0.0 110.963 -174.889 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 56.02 17.64 16.9 Favored Glycine 0 CA--C 1.536 1.402 0 C-N-CA 124.317 0.96 . . . . 0.0 114.231 -177.848 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 52.8 m -123.74 131.56 53.62 Favored 'General case' 0 N--CA 1.45 -0.452 0 C-N-CA 126.708 2.003 . . . . 0.0 107.237 -172.764 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 25' ' ' CYS . . . . . . . . . . . . 0.252 0.0 OUTLIER -85.05 90.87 7.95 Favored 'General case' 0 CA--C 1.535 0.385 0 N-CA-C 107.392 -1.336 . . . . 0.0 107.392 172.141 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild core ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 56.7 m-85 -70.6 135.84 48.74 Favored 'General case' 0 N--CA 1.452 -0.336 0 C-N-CA 124.866 1.267 . . . . 0.0 108.344 177.041 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 27' ' ' CYS . . . . . 0.514 ' HA ' ' HA ' ' A' ' 17' ' ' PRO . 13.0 m . . . . . 0 C--N 1.342 0.265 0 C-N-CA 123.88 0.872 . . . . 0.0 111.545 173.793 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' PCA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.462 0 N-CA-C 108.406 -0.961 . . . . 0.0 108.406 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 2.7 p -122.38 99.49 6.44 Favored 'General case' 0 N--CA 1.447 -0.6 0 C-N-CA 125.295 1.438 . . . . 0.0 108.177 -176.622 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 85.3 mt-30 -55.84 -30.53 61.6 Favored 'General case' 0 CA--C 1.533 0.312 0 N-CA-C 111.972 0.36 . . . . 0.0 111.972 175.184 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 22.0 p -136.57 159.37 42.0 Favored 'General case' 0 CA--C 1.514 -0.416 0 C-N-CA 124.684 1.194 . . . . 0.0 109.591 -176.285 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 91.0 mt-30 -99.08 -37.19 9.44 Favored 'General case' 0 N--CA 1.448 -0.528 0 C-N-CA 125.696 1.599 . . . . 0.0 109.043 171.668 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 23.0 m -160.22 164.69 32.56 Favored 'General case' 0 C--O 1.225 -0.232 0 N-CA-C 109.151 -0.685 . . . . 0.0 109.151 -171.224 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 9.8 p -47.69 -37.83 6.01 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.468 0 C-N-CA 123.748 0.819 . . . . 0.0 112.443 -178.433 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 8.6 tmm_? -29.14 -54.03 0.12 Allowed 'General case' 0 CA--C 1.534 0.36 0 C-N-CA 127.826 2.451 . . . . 0.0 113.345 165.207 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 66.8 m-20 -61.46 -47.77 84.19 Favored 'General case' 0 N--CA 1.445 -0.712 0 C-N-CA 125.125 1.37 . . . . 0.0 108.941 -177.708 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' CYS . . . . . 0.503 ' HB3' ' CB ' ' A' ' 17' ' ' PRO . 0.1 OUTLIER -66.82 -32.71 74.16 Favored 'General case' 0 N--CA 1.447 -0.61 0 C-N-CA 118.325 -1.35 . . . . 0.0 112.099 174.954 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 89.1 mt-30 -61.04 -38.14 85.11 Favored 'General case' 0 CA--C 1.53 0.204 0 CA-C-N 120.08 1.309 . . . . 0.0 110.788 -175.516 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 6.7 pt20 -71.24 -35.36 71.42 Favored 'General case' 0 N--CA 1.441 -0.881 0 O-C-N 121.612 -0.68 . . . . 0.0 111.546 171.043 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 17.3 t80 -67.69 -38.71 84.05 Favored 'General case' 0 CA--C 1.54 0.558 0 N-CA-C 114.063 1.134 . . . . 0.0 114.063 -179.593 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 19.2 m -143.28 138.47 29.58 Favored 'General case' 0 CA--C 1.52 -0.177 0 C-N-CA 127.289 2.235 . . . . 0.0 108.618 -162.176 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 3.9 mm? -63.73 -41.85 98.0 Favored 'General case' 0 CA--C 1.532 0.265 0 O-C-N 122.309 -0.244 . . . . 0.0 110.652 177.576 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 18.9 m -129.31 78.84 75.23 Favored Pre-proline 0 C--O 1.236 0.387 0 C-N-CA 123.138 0.575 . . . . 0.0 111.682 -178.831 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' PRO . . . . . 0.523 ' HA ' ' HA ' ' A' ' 27' ' ' CYS . 4.8 Cg_endo -65.38 159.4 47.67 Favored 'Trans proline' 0 N--CA 1.434 -1.997 0 C-N-CA 121.133 1.222 . . . . 0.0 112.668 175.382 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 17.3 t70 -92.41 -61.77 1.54 Allowed 'General case' 0 N--CA 1.448 -0.561 0 N-CA-C 107.677 -1.231 . . . . 0.0 107.677 172.316 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 2.4 ptt180 -158.04 148.7 20.69 Favored 'General case' 0 N--CA 1.445 -0.705 0 C-N-CA 122.674 0.39 . . . . 0.0 110.503 179.065 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 42.0 t -79.67 109.69 14.31 Favored 'General case' 0 N--CA 1.455 -0.178 0 N-CA-C 105.896 -1.89 . . . . 0.0 105.896 149.772 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 2.9 m -161.07 157.43 26.08 Favored 'General case' 0 N--CA 1.449 -0.519 0 N-CA-C 107.319 -1.363 . . . . 0.0 107.319 -173.717 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 16.1 t80 51.61 32.92 9.81 Favored 'General case' 0 CA--C 1.541 0.604 0 C-N-CA 123.128 0.571 . . . . 0.0 112.187 179.376 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 52.67 28.44 30.17 Favored Glycine 0 CA--C 1.533 1.172 0 C-N-CA 124.426 1.012 . . . . 0.0 113.901 -177.591 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 12.0 m -152.94 114.97 4.36 Favored 'General case' 0 C--O 1.226 -0.176 0 N-CA-C 107.315 -1.365 . . . . 0.0 107.315 -175.116 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 25' ' ' CYS . . . . . . . . . . . . 0.254 0.5 OUTLIER -72.94 103.47 3.76 Favored 'General case' 0 CA--C 1.536 0.413 0 CA-C-O 122.591 1.186 . . . . 0.0 110.024 -171.305 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 68.0 m-85 -69.58 132.74 46.7 Favored 'General case' 0 N--CA 1.448 -0.548 0 C-N-CA 125.993 1.717 . . . . 0.0 108.115 179.686 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 27' ' ' CYS . . . . . 0.523 ' HA ' ' HA ' ' A' ' 17' ' ' PRO . 36.8 m -112.55 140.42 47.31 Favored 'General case' 0 C--N 1.343 0.285 0 O-C-N 123.623 0.577 . . . . 0.0 111.264 173.869 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 19.3 ttmm -74.85 -34.42 62.28 Favored 'General case' 0 N--CA 1.448 -0.561 0 C-N-CA 122.66 0.384 . . . . 0.0 110.889 -166.44 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 21.7 m -153.26 88.21 1.29 Allowed 'General case' 0 N--CA 1.454 -0.234 0 N-CA-C 107.89 -1.152 . . . . 0.0 107.89 176.244 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 7.9 m -155.39 149.97 26.22 Favored 'General case' 0 CA--C 1.53 0.186 0 N-CA-C 106.71 -1.589 . . . . 0.0 106.71 176.971 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 31' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.333 -0.126 0 CA-C-N 118.214 0.461 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 1' ' ' PCA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.365 0 N-CA-C 110.005 -0.369 . . . . 0.0 110.005 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 13.8 m -145.07 -117.43 0.09 Allowed 'General case' 0 C--N 1.33 -0.256 0 N-CA-C 107.788 -1.19 . . . . 0.0 107.788 172.943 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 81.0 mt-30 -60.44 -30.46 69.66 Favored 'General case' 0 CA--C 1.531 0.223 0 CA-C-N 119.023 0.829 . . . . 0.0 110.251 170.003 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 4.5 p -136.41 152.92 51.13 Favored 'General case' 0 N--CA 1.449 -0.48 0 C-N-CA 125.606 1.562 . . . . 0.0 108.774 178.846 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 8.3 tt0 -78.58 -42.08 30.09 Favored 'General case' 0 N--CA 1.452 -0.343 0 C-N-CA 124.733 1.213 . . . . 0.0 109.687 166.414 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 9.7 m -168.57 175.37 6.23 Favored 'General case' 0 CA--C 1.529 0.166 0 C-N-CA 126.419 1.888 . . . . 0.0 106.838 -174.782 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 7.9 p -49.03 -37.93 10.26 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.392 0 C-N-CA 123.683 0.793 . . . . 0.0 112.346 -177.988 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 48.0 ttt85 -47.18 -40.03 15.08 Favored 'General case' 0 CA--C 1.533 0.317 0 C-N-CA 125.117 1.367 . . . . 0.0 112.493 174.63 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -63.83 -47.92 78.89 Favored 'General case' 0 N--CA 1.454 -0.238 0 N-CA-C 109.126 -0.694 . . . . 0.0 109.126 176.771 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 10' ' ' CYS . . . . . 0.472 ' HB3' ' CB ' ' A' ' 17' ' ' PRO . 0.1 OUTLIER -60.25 -33.53 72.42 Favored 'General case' 0 N--CA 1.448 -0.569 0 C-N-CA 117.536 -1.666 . . . . 0.0 111.072 175.372 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 40.9 mt-30 -57.33 -35.89 70.46 Favored 'General case' 0 CA--C 1.536 0.41 0 CA-C-N 120.105 1.321 . . . . 0.0 111.795 -179.075 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 16.2 pt20 -75.6 -29.16 59.17 Favored 'General case' 0 N--CA 1.446 -0.672 0 CA-C-N 119.246 0.93 . . . . 0.0 111.644 172.356 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 4.3 t80 -73.97 -35.89 64.52 Favored 'General case' 0 CA--C 1.542 0.672 0 C-N-CA 124.246 1.018 . . . . 0.0 113.51 -179.734 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 10.3 m -145.89 139.07 26.02 Favored 'General case' 0 N--CA 1.462 0.132 0 C-N-CA 127.19 2.196 . . . . 0.0 107.965 -163.282 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 3.9 mm? -63.17 -41.95 99.32 Favored 'General case' 0 CA--C 1.532 0.287 0 CA-C-O 119.636 -0.221 . . . . 0.0 110.485 176.548 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 14.2 m -130.54 77.64 75.49 Favored Pre-proline 0 CA--C 1.537 0.467 0 C-N-CA 123.075 0.55 . . . . 0.0 111.991 -177.607 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 17' ' ' PRO . . . . . 0.507 ' HA ' ' HA ' ' A' ' 27' ' ' CYS . 5.3 Cg_endo -65.04 160.22 42.72 Favored 'Trans proline' 0 N--CA 1.436 -1.903 0 C-N-CA 121.467 1.445 . . . . 0.0 112.814 176.052 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 27.9 t70 -96.58 -61.36 1.43 Allowed 'General case' 0 N--CA 1.449 -0.49 0 C-N-CA 125.525 1.53 . . . . 0.0 107.401 175.269 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 11.1 ptt180 -158.31 150.95 22.23 Favored 'General case' 0 N--CA 1.44 -0.944 0 C-N-CA 122.623 0.369 . . . . 0.0 110.132 -179.613 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 47.7 t -87.37 110.58 20.35 Favored 'General case' 0 C--N 1.333 -0.144 0 N-CA-C 105.552 -2.018 . . . . 0.0 105.552 151.872 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 3.3 m -160.73 145.08 13.93 Favored 'General case' 0 N--CA 1.45 -0.468 0 N-CA-C 108.097 -1.075 . . . . 0.0 108.097 -169.206 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 79.6 m-85 50.24 41.31 23.98 Favored 'General case' 0 CA--C 1.536 0.41 0 C-N-CA 123.186 0.595 . . . . 0.0 110.767 -172.013 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 55.05 19.43 15.44 Favored Glycine 0 CA--C 1.536 1.354 0 C-N-CA 124.258 0.932 . . . . 0.0 114.069 -178.015 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 62.5 m -124.2 136.19 53.99 Favored 'General case' 0 N--CA 1.45 -0.428 0 C-N-CA 126.595 1.958 . . . . 0.0 107.057 -173.36 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 25' ' ' CYS . . . . . . . . . . . . 0.271 0.1 OUTLIER -92.17 87.87 6.27 Favored 'General case' 0 CA--C 1.537 0.462 0 CA-C-O 122.961 1.362 . . . . 0.0 107.932 175.013 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 39.1 m-85 -64.88 137.49 57.79 Favored 'General case' 0 N--CA 1.454 -0.24 0 C-N-CA 125.081 1.352 . . . . 0.0 108.399 175.984 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 27' ' ' CYS . . . . . 0.507 ' HA ' ' HA ' ' A' ' 17' ' ' PRO . 18.0 m -122.52 151.08 41.71 Favored 'General case' 0 C--N 1.343 0.296 0 C-N-CA 123.749 0.82 . . . . 0.0 111.663 174.758 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 61.8 mttm -77.34 66.79 3.17 Favored 'General case' 0 CA--C 1.53 0.19 0 N-CA-C 108.654 -0.869 . . . . 0.0 108.654 178.904 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 6.2 m -152.23 54.08 0.81 Allowed 'General case' 0 C--N 1.33 -0.263 0 N-CA-C 107.789 -1.189 . . . . 0.0 107.789 -178.734 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 2.1 m -73.79 63.92 0.91 Allowed 'General case' 0 CA--C 1.536 0.407 0 C-N-CA 125.324 1.45 . . . . 0.0 111.4 -172.595 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 31' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.331 -0.228 0 O-C-N 121.484 -0.76 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 1' ' ' PCA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.321 0 N-CA-C 107.806 -1.183 . . . . 0.0 107.806 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 19.2 p -157.04 159.01 37.54 Favored 'General case' 0 N--CA 1.44 -0.97 0 N-CA-C 103.764 -2.68 . . . . 0.0 103.764 -176.345 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 85.5 mt-30 -67.05 -40.42 87.11 Favored 'General case' 0 C--N 1.325 -0.457 0 C-N-CA 122.909 0.484 . . . . 0.0 110.067 170.17 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 24.7 p -145.1 160.06 42.0 Favored 'General case' 0 N--CA 1.449 -0.49 0 C-N-CA 124.838 1.255 . . . . 0.0 109.949 -168.226 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 34.7 mt-30 -108.85 -25.21 10.9 Favored 'General case' 0 N--CA 1.45 -0.428 0 C-N-CA 125.558 1.543 . . . . 0.0 110.47 173.814 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 11.0 m -162.39 156.67 21.55 Favored 'General case' 0 C--O 1.222 -0.391 0 N-CA-C 108.467 -0.938 . . . . 0.0 108.467 -175.558 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 7.8 p -49.61 -32.6 7.06 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.511 0 N-CA-C 113.179 0.807 . . . . 0.0 113.179 -175.008 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 82.7 mtt85 -46.19 -42.44 14.08 Favored 'General case' 0 CA--C 1.535 0.393 0 C-N-CA 124.668 1.187 . . . . 0.0 112.81 172.894 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 64.2 m-20 -55.0 -52.56 62.73 Favored 'General case' 0 N--CA 1.447 -0.602 0 N-CA-C 108.17 -1.048 . . . . 0.0 108.17 174.665 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 10' ' ' CYS . . . . . 0.449 ' HB3' ' CB ' ' A' ' 17' ' ' PRO . 0.1 OUTLIER -61.11 -36.38 79.57 Favored 'General case' 0 C--O 1.219 -0.514 0 C-N-CA 118.709 -1.196 . . . . 0.0 112.277 174.746 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 39.3 mt-30 -57.42 -37.94 73.57 Favored 'General case' 0 CA--C 1.531 0.239 0 CA-C-N 120.153 1.342 . . . . 0.0 110.815 179.742 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -69.97 -28.44 65.54 Favored 'General case' 0 N--CA 1.446 -0.658 0 O-C-N 121.487 -0.758 . . . . 0.0 110.992 174.163 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 5.8 t80 -80.25 -34.63 36.95 Favored 'General case' 0 CA--C 1.539 0.553 0 C-N-CA 124.443 1.097 . . . . 0.0 113.48 -177.156 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 8.1 m -145.89 139.62 26.42 Favored 'General case' 0 CA--C 1.52 -0.197 0 C-N-CA 126.414 1.886 . . . . 0.0 108.899 -162.614 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 4.0 mm? -61.76 -42.75 99.39 Favored 'General case' 0 CA--C 1.531 0.221 0 N-CA-C 110.187 -0.301 . . . . 0.0 110.187 173.699 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 5.9 m -129.13 72.0 81.99 Favored Pre-proline 0 C--O 1.237 0.442 0 N-CA-C 112.115 0.413 . . . . 0.0 112.115 -172.064 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 17' ' ' PRO . . . . . 0.533 ' HA ' ' HA ' ' A' ' 27' ' ' CYS . 2.1 Cg_endo -66.46 173.85 7.11 Favored 'Trans proline' 0 N--CA 1.431 -2.155 0 CA-C-O 122.765 1.069 . . . . 0.0 113.287 -179.29 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 9.7 t70 -104.84 -61.96 1.4 Allowed 'General case' 0 N--CA 1.44 -0.959 0 CA-C-N 114.558 -1.201 . . . . 0.0 108.175 170.229 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -162.34 152.0 16.06 Favored 'General case' 0 N--CA 1.445 -0.684 0 N-CA-C 108.126 -1.064 . . . . 0.0 108.126 -175.932 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 52.4 t -77.58 110.92 12.8 Favored 'General case' 0 N--CA 1.448 -0.555 0 N-CA-C 105.711 -1.959 . . . . 0.0 105.711 146.009 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 2.1 m -152.62 142.4 22.0 Favored 'General case' 0 N--CA 1.449 -0.521 0 N-CA-C 108.8 -0.815 . . . . 0.0 108.8 -174.182 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 72.8 m-85 50.43 42.16 25.89 Favored 'General case' 0 CA--C 1.537 0.456 0 C-N-CA 123.773 0.829 . . . . 0.0 110.87 -170.346 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 55.48 18.34 15.11 Favored Glycine 0 CA--C 1.534 1.227 0 C-N-CA 124.145 0.879 . . . . 0.0 113.883 -178.288 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 56.6 m -123.46 136.44 54.59 Favored 'General case' 0 N--CA 1.45 -0.466 0 C-N-CA 126.589 1.956 . . . . 0.0 106.29 -174.13 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 25' ' ' CYS . . . . . . . . . . . . 0.261 0.0 OUTLIER -85.82 91.78 8.43 Favored 'General case' 0 CA--C 1.534 0.338 0 N-CA-C 107.338 -1.356 . . . . 0.0 107.338 174.342 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 13.5 m-85 -64.19 130.03 42.31 Favored 'General case' 0 N--CA 1.451 -0.375 0 N-CA-C 106.988 -1.486 . . . . 0.0 106.988 172.889 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 27' ' ' CYS . . . . . 0.533 ' HA ' ' HA ' ' A' ' 17' ' ' PRO . 11.1 m -112.47 155.35 24.41 Favored 'General case' 0 CA--C 1.514 -0.419 0 CA-C-N 118.202 0.455 . . . . 0.0 110.462 166.264 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 19.4 pttm -117.15 29.96 7.59 Favored 'General case' 0 CA--C 1.536 0.431 0 O-C-N 123.856 0.723 . . . . 0.0 109.86 165.81 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 5.3 m -72.07 69.93 0.77 Allowed 'General case' 0 CA--C 1.535 0.367 0 C-N-CA 124.531 1.132 . . . . 0.0 109.674 177.902 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 30' ' ' THR . . . . . 0.607 ' HG1' ' N ' ' A' ' 31' ' ' NH2 . 9.8 t -159.2 -171.62 3.43 Favored 'General case' 0 N--CA 1.454 -0.248 0 C-N-CA 124.23 1.012 . . . . 0.0 108.551 178.659 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 31' ' ' NH2 . . . . . 0.607 ' N ' ' HG1' ' A' ' 30' ' ' THR . . . . . . . . 0 C--N 1.33 -0.265 0 O-C-N 122.282 -0.261 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 1' ' ' PCA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.532 0.275 0 N-CA-C 109.979 -0.378 . . . . 0.0 109.979 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 1.5 m 81.77 139.6 0.07 Allowed 'General case' 0 CA--C 1.529 0.165 0 C-N-CA 125.925 1.69 . . . . 0.0 107.896 -160.932 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 77.0 mt-30 -59.18 -33.91 71.5 Favored 'General case' 0 CA--C 1.53 0.204 0 C-N-CA 122.366 0.267 . . . . 0.0 111.628 178.257 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 12.5 p -146.24 157.0 43.78 Favored 'General case' 0 N--CA 1.45 -0.432 0 C-N-CA 124.892 1.277 . . . . 0.0 108.664 -178.315 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 20.8 tt0 -90.59 -40.99 11.61 Favored 'General case' 0 N--CA 1.446 -0.648 0 C-N-CA 125.965 1.706 . . . . 0.0 108.098 171.733 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 13.1 m -162.97 170.29 18.32 Favored 'General case' 0 C--O 1.224 -0.289 0 N-CA-C 108.819 -0.808 . . . . 0.0 108.819 -170.299 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 7.6 p -50.64 -34.14 12.26 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.583 0 O-C-N 121.313 -0.867 . . . . 0.0 112.455 179.739 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 17.6 mtm105 -39.95 -45.12 1.82 Allowed 'General case' 0 N--CA 1.467 0.388 0 C-N-CA 125.627 1.571 . . . . 0.0 113.08 170.432 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 40.3 m-20 -61.74 -55.77 26.71 Favored 'General case' 0 N--CA 1.449 -0.52 0 C-N-CA 124.238 1.015 . . . . 0.0 108.655 178.965 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 10' ' ' CYS . . . . . 0.476 ' HB3' ' CB ' ' A' ' 17' ' ' PRO . 0.1 OUTLIER -59.9 -33.16 71.48 Favored 'General case' 0 C--O 1.218 -0.564 0 C-N-CA 118.898 -1.121 . . . . 0.0 111.809 178.737 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 40.9 mt-30 -59.71 -26.26 65.47 Favored 'General case' 0 CA--C 1.533 0.305 0 CA-C-N 120.147 1.339 . . . . 0.0 111.323 -179.226 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 33.9 mt-30 -78.79 -42.45 27.83 Favored 'General case' 0 CA--C 1.532 0.272 0 N-CA-C 109.43 -0.582 . . . . 0.0 109.43 173.071 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 27.3 t80 -65.15 -40.97 95.1 Favored 'General case' 0 CA--C 1.536 0.433 0 N-CA-C 113.722 1.008 . . . . 0.0 113.722 -177.576 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 14.0 m -136.64 139.73 42.25 Favored 'General case' 0 C--N 1.332 -0.189 0 C-N-CA 127.499 2.32 . . . . 0.0 108.791 -164.929 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -61.66 -47.77 83.85 Favored 'General case' 0 CA--C 1.534 0.34 0 N-CA-C 109.476 -0.565 . . . . 0.0 109.476 175.095 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 24.2 m -125.2 84.45 59.5 Favored Pre-proline 0 C--O 1.24 0.58 0 C-N-CA 123.553 0.741 . . . . 0.0 110.923 -178.958 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 17' ' ' PRO . . . . . 0.558 ' HA ' ' HA ' ' A' ' 27' ' ' CYS . 6.7 Cg_endo -69.22 161.36 46.17 Favored 'Trans proline' 0 N--CA 1.436 -1.899 0 C-N-CA 121.749 1.633 . . . . 0.0 113.045 172.245 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 25.7 t0 -93.84 -62.28 1.38 Allowed 'General case' 0 N--CA 1.45 -0.455 0 C-N-CA 125.205 1.402 . . . . 0.0 107.422 173.976 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 3.9 ptt180 -158.65 154.4 26.39 Favored 'General case' 0 N--CA 1.444 -0.767 0 C-N-CA 123.592 0.757 . . . . 0.0 110.058 -179.655 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 43.6 t -88.13 111.5 21.65 Favored 'General case' 0 C--N 1.332 -0.165 0 N-CA-C 105.528 -2.027 . . . . 0.0 105.528 150.787 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 3.0 m -163.08 153.44 16.21 Favored 'General case' 0 N--CA 1.45 -0.441 0 C-N-CA 123.536 0.734 . . . . 0.0 109.175 -168.965 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 8.9 t80 51.0 37.61 18.21 Favored 'General case' 0 CA--C 1.539 0.538 0 C-N-CA 123.407 0.683 . . . . 0.0 111.46 -179.839 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 53.58 40.38 62.55 Favored Glycine 0 CA--C 1.531 1.069 0 C-N-CA 124.054 0.835 . . . . 0.0 112.84 -175.785 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 17.1 m -152.36 146.84 25.66 Favored 'General case' 0 N--CA 1.455 -0.183 0 N-CA-C 107.803 -1.184 . . . . 0.0 107.803 -179.727 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 25' ' ' CYS . . . . . . . . . . . . 0.267 0.1 OUTLIER -94.75 92.88 7.2 Favored 'General case' 0 CA--C 1.534 0.336 0 CA-C-O 122.903 1.335 . . . . 0.0 108.023 173.209 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 7.6 m-85 -67.64 134.78 51.75 Favored 'General case' 0 N--CA 1.453 -0.314 0 C-N-CA 125.695 1.598 . . . . 0.0 107.641 177.367 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 27' ' ' CYS . . . . . 0.558 ' HA ' ' HA ' ' A' ' 17' ' ' PRO . 26.7 m -110.33 144.67 38.72 Favored 'General case' 0 C--N 1.343 0.311 0 CA-C-N 118.89 0.768 . . . . 0.0 112.188 172.32 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 8.9 tttp -82.1 -56.45 3.93 Favored 'General case' 0 C--N 1.339 0.126 0 CA-C-O 121.088 0.47 . . . . 0.0 109.987 -163.261 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 12.9 t -154.61 30.75 0.42 Allowed 'General case' 0 CA--C 1.533 0.311 0 CA-C-O 121.897 0.856 . . . . 0.0 109.477 177.687 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 32.8 m -76.03 73.21 2.9 Favored 'General case' 0 CA--C 1.535 0.388 0 N-CA-C 108.268 -1.012 . . . . 0.0 108.268 174.255 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 31' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.332 -0.193 0 O-C-N 122.01 -0.431 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 1' ' ' PCA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.416 0 N-CA-C 108.832 -0.803 . . . . 0.0 108.832 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 10.8 m -113.16 -116.32 0.32 Allowed 'General case' 0 CA--C 1.531 0.223 0 N-CA-C 106.477 -1.675 . . . . 0.0 106.477 169.029 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 82.2 mt-30 -53.12 -41.42 65.01 Favored 'General case' 0 CA--C 1.531 0.243 0 CA-C-N 118.527 0.603 . . . . 0.0 110.0 162.714 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 9.0 p -139.83 164.2 30.6 Favored 'General case' 0 N--CA 1.449 -0.486 0 C-N-CA 126.396 1.878 . . . . 0.0 108.729 -174.938 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 24.9 tt0 -101.44 -37.16 8.56 Favored 'General case' 0 N--CA 1.451 -0.398 0 C-N-CA 125.838 1.655 . . . . 0.0 109.452 169.591 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 1.8 p -154.19 172.87 16.91 Favored 'General case' 0 CA--C 1.511 -0.525 0 CA-C-O 122.057 0.932 . . . . 0.0 110.759 179.368 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 9.9 p -51.47 -35.38 16.52 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.691 0 CA-C-N 115.263 -0.88 . . . . 0.0 111.767 -176.65 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 99.2 mtt180 -51.12 -41.19 59.88 Favored 'General case' 0 CA--C 1.533 0.298 0 C-N-CA 125.436 1.495 . . . . 0.0 112.81 176.758 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 35.2 m-20 -56.06 -52.63 63.59 Favored 'General case' 0 N--CA 1.45 -0.452 0 N-CA-C 108.191 -1.04 . . . . 0.0 108.191 173.908 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 10' ' ' CYS . . . . . 0.462 ' HB3' ' CB ' ' A' ' 17' ' ' PRO . 0.1 OUTLIER -62.36 -33.13 74.12 Favored 'General case' 0 C--O 1.216 -0.684 0 C-N-CA 118.709 -1.197 . . . . 0.0 111.75 177.15 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 40.7 mt-30 -59.71 -28.28 67.19 Favored 'General case' 0 CA--C 1.534 0.347 0 CA-C-N 120.34 1.427 . . . . 0.0 110.798 -179.097 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 34.2 mt-30 -73.2 -44.93 58.97 Favored 'General case' 0 CA--C 1.533 0.32 0 O-C-N 122.011 -0.431 . . . . 0.0 110.027 170.719 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 23.1 t80 -64.2 -37.72 88.49 Favored 'General case' 0 CA--C 1.537 0.455 0 N-CA-C 114.023 1.12 . . . . 0.0 114.023 -176.714 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 19.8 m -141.62 138.86 32.87 Favored 'General case' 0 C--N 1.332 -0.182 0 C-N-CA 127.889 2.476 . . . . 0.0 108.075 -164.126 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -63.4 -44.8 93.61 Favored 'General case' 0 CA--C 1.535 0.397 0 N-CA-C 109.903 -0.406 . . . . 0.0 109.903 176.999 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 23.4 m -127.03 79.96 72.21 Favored Pre-proline 0 CA--C 1.536 0.425 0 C-N-CA 123.413 0.685 . . . . 0.0 111.902 -178.979 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 17' ' ' PRO . . . . . 0.505 ' HA ' ' HA ' ' A' ' 27' ' ' CYS . 6.9 Cg_endo -64.0 158.83 45.45 Favored 'Trans proline' 0 N--CA 1.434 -1.992 0 C-N-CA 122.117 1.878 . . . . 0.0 112.448 173.286 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 29.7 t0 -87.37 -61.43 1.72 Allowed 'General case' 0 N--CA 1.446 -0.636 0 N-CA-C 106.227 -1.768 . . . . 0.0 106.227 171.79 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -162.51 153.12 17.02 Favored 'General case' 0 N--CA 1.449 -0.484 0 N-CA-C 109.151 -0.685 . . . . 0.0 109.151 -177.007 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 52.6 t -83.76 111.46 19.19 Favored 'General case' 0 N--CA 1.454 -0.238 0 N-CA-C 105.498 -2.038 . . . . 0.0 105.498 146.359 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 3.1 m -159.56 153.57 23.34 Favored 'General case' 0 N--CA 1.45 -0.472 0 N-CA-C 108.256 -1.016 . . . . 0.0 108.256 -171.977 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 16.3 t80 50.83 37.73 17.9 Favored 'General case' 0 CA--C 1.539 0.538 0 CA-C-O 121.488 0.661 . . . . 0.0 111.487 -178.026 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 51.92 41.75 52.56 Favored Glycine 0 CA--C 1.532 1.103 0 C-N-CA 123.638 0.637 . . . . 0.0 112.238 -174.695 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 4.5 m -152.78 139.63 19.03 Favored 'General case' 0 N--CA 1.453 -0.276 0 O-C-N 121.484 -1.01 . . . . 0.0 108.468 -174.49 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 25' ' ' CYS . . . . . . . . . . . . 0.28 0.0 OUTLIER -92.48 90.75 7.31 Favored 'General case' 0 CA--C 1.535 0.403 0 CA-C-O 122.99 1.376 . . . . 0.0 108.305 176.318 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 66.5 m-85 -72.61 139.79 47.62 Favored 'General case' 0 N--CA 1.452 -0.347 0 C-N-CA 125.931 1.692 . . . . 0.0 108.972 178.852 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 27' ' ' CYS . . . . . 0.505 ' HA ' ' HA ' ' A' ' 17' ' ' PRO . 20.6 m -126.55 149.37 49.45 Favored 'General case' 0 C--N 1.344 0.341 0 C-N-CA 123.748 0.819 . . . . 0.0 112.501 177.596 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 85.7 mttt -81.71 40.12 0.58 Allowed 'General case' 0 CA--C 1.536 0.419 0 CA-C-O 120.924 0.392 . . . . 0.0 110.557 -179.695 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 11.3 p -81.3 69.82 8.01 Favored 'General case' 0 N--CA 1.45 -0.437 0 N-CA-C 108.394 -0.965 . . . . 0.0 108.394 -176.568 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 30' ' ' THR . . . . . 0.596 ' HG1' ' N ' ' A' ' 31' ' ' NH2 . 8.8 t -164.17 -171.28 2.36 Favored 'General case' 0 N--CA 1.453 -0.305 0 C-N-CA 124.802 1.241 . . . . 0.0 108.1 179.111 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 31' ' ' NH2 . . . . . 0.596 ' N ' ' HG1' ' A' ' 30' ' ' THR . . . . . . . . 0 C--N 1.328 -0.344 0 O-C-N 122.299 -0.251 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 1' ' ' PCA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.533 0.312 0 N-CA-C 110.031 -0.359 . . . . 0.0 110.031 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 26.8 p -144.14 103.56 4.02 Favored 'General case' 0 N--CA 1.453 -0.275 0 C-N-CA 123.82 0.848 . . . . 0.0 109.081 -173.308 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 86.6 mt-30 -57.85 -37.55 74.1 Favored 'General case' 0 CA--C 1.529 0.135 0 CA-C-O 121.098 0.475 . . . . 0.0 109.926 163.072 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 4' ' ' CYS . . . . . 0.471 ' HB2' ' HB2' ' A' ' 9' ' ' ASP . 19.2 p -139.5 153.89 47.59 Favored 'General case' 0 N--CA 1.448 -0.568 0 C-N-CA 125.649 1.58 . . . . 0.0 109.156 -172.837 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 76.5 mt-30 -98.77 -31.67 11.76 Favored 'General case' 0 N--CA 1.449 -0.485 0 C-N-CA 125.404 1.482 . . . . 0.0 109.118 171.717 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 1.9 p -157.69 174.52 15.21 Favored 'General case' 0 CA--C 1.509 -0.616 0 CA-C-O 122.172 0.987 . . . . 0.0 110.435 179.085 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 9.3 p -51.55 -35.13 16.51 Favored 'Isoleucine or valine' 0 N--CA 1.443 -0.805 0 CA-C-N 114.881 -1.054 . . . . 0.0 111.422 -179.173 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 99.5 mtt180 -42.06 -50.16 4.7 Favored 'General case' 0 CA--C 1.534 0.343 0 C-N-CA 126.121 1.769 . . . . 0.0 112.574 172.256 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 9' ' ' ASP . . . . . 0.471 ' HB2' ' HB2' ' A' ' 4' ' ' CYS . 33.1 m-20 -58.27 -51.32 70.28 Favored 'General case' 0 N--CA 1.447 -0.621 0 C-N-CA 124.092 0.957 . . . . 0.0 108.493 -179.692 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 10' ' ' CYS . . . . . 0.492 ' SG ' ' HB3' ' A' ' 17' ' ' PRO . 0.3 OUTLIER -60.67 -38.7 85.79 Favored 'General case' 0 C--O 1.22 -0.478 0 C-N-CA 118.604 -1.239 . . . . 0.0 111.087 176.015 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 41.3 mt-30 -58.1 -38.39 76.34 Favored 'General case' 0 N--CA 1.463 0.184 0 CA-C-N 119.663 1.12 . . . . 0.0 110.004 -179.074 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -60.08 -43.24 95.63 Favored 'General case' 0 CA--C 1.534 0.352 0 O-C-N 121.96 -0.462 . . . . 0.0 110.638 172.877 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 26.0 m-85 -80.14 -22.13 42.39 Favored 'General case' 0 CA--C 1.543 0.71 0 N-CA-C 114.782 1.401 . . . . 0.0 114.782 -176.695 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 24.4 m -150.06 135.85 18.48 Favored 'General case' 0 N--CA 1.463 0.199 0 C-N-CA 125.486 1.514 . . . . 0.0 109.205 -165.436 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 4.0 mm? -63.36 -42.03 98.87 Favored 'General case' 0 CA--C 1.533 0.307 0 CA-C-O 119.563 -0.256 . . . . 0.0 110.749 177.372 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 19.1 m -128.53 78.77 75.33 Favored Pre-proline 0 CA--C 1.535 0.403 0 C-N-CA 123.091 0.556 . . . . 0.0 111.91 -177.64 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 17' ' ' PRO . . . . . 0.492 ' HB3' ' SG ' ' A' ' 10' ' ' CYS . 1.5 Cg_endo -64.46 153.22 78.2 Favored 'Trans proline' 0 N--CA 1.433 -2.041 0 C-N-CA 120.849 1.032 . . . . 0.0 113.372 176.619 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 30.7 t0 -78.69 -60.67 2.28 Favored 'General case' 0 N--CA 1.447 -0.58 0 N-CA-C 106.314 -1.735 . . . . 0.0 106.314 169.526 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 1.2 ptt85 -162.21 160.75 27.39 Favored 'General case' 0 N--CA 1.451 -0.382 0 N-CA-C 108.553 -0.906 . . . . 0.0 108.553 -177.756 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 43.3 t -89.0 118.15 28.52 Favored 'General case' 0 N--CA 1.454 -0.263 0 N-CA-C 105.25 -2.13 . . . . 0.0 105.25 143.453 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 2.1 m -158.64 144.99 17.08 Favored 'General case' 0 N--CA 1.45 -0.451 0 CA-C-N 118.837 0.744 . . . . 0.0 108.998 -171.601 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 94.8 m-85 49.29 43.77 23.15 Favored 'General case' 0 CA--C 1.537 0.452 0 C-N-CA 123.501 0.72 . . . . 0.0 111.309 -173.857 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 53.95 22.46 19.94 Favored Glycine 0 CA--C 1.532 1.142 0 C-N-CA 123.97 0.795 . . . . 0.0 113.538 -177.991 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 60.9 m -128.08 136.47 51.25 Favored 'General case' 0 N--CA 1.451 -0.415 0 C-N-CA 126.154 1.782 . . . . 0.0 107.035 -173.592 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -88.31 116.5 26.56 Favored 'General case' 0 CA--C 1.534 0.339 0 N-CA-C 107.033 -1.469 . . . . 0.0 107.033 170.758 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 48.9 m-85 -103.05 138.49 39.83 Favored 'General case' 0 N--CA 1.452 -0.355 0 C-N-CA 126.938 2.095 . . . . 0.0 107.321 -177.98 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 27' ' ' CYS . . . . . 0.474 ' HA ' ' HA ' ' A' ' 17' ' ' PRO . 27.3 m -122.84 139.23 54.24 Favored 'General case' 0 C--N 1.343 0.293 0 CA-C-N 118.851 0.75 . . . . 0.0 112.649 -178.478 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 9.9 mmtp -76.67 69.33 3.05 Favored 'General case' 0 N--CA 1.455 -0.195 0 N-CA-C 107.18 -1.415 . . . . 0.0 107.18 171.957 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 7.2 m -153.27 58.62 0.77 Allowed 'General case' 0 N--CA 1.454 -0.229 0 N-CA-C 107.532 -1.285 . . . . 0.0 107.532 -176.765 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 1.3 m -72.27 63.63 0.54 Allowed 'General case' 0 CA--C 1.536 0.412 0 C-N-CA 125.779 1.632 . . . . 0.0 112.133 -170.169 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 31' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.332 -0.181 0 O-C-N 121.23 -0.919 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 1' ' ' PCA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.533 0.309 0 N-CA-C 110.142 -0.318 . . . . 0.0 110.142 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 7.6 m -113.28 -118.7 0.31 Allowed 'General case' 0 CA--C 1.529 0.137 0 N-CA-C 107.722 -1.214 . . . . 0.0 107.722 -178.807 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 81.3 mt-30 -57.94 -32.43 67.8 Favored 'General case' 0 CA--C 1.531 0.238 0 CA-C-N 119.149 0.886 . . . . 0.0 109.994 163.604 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 9.5 p -154.81 170.11 22.39 Favored 'General case' 0 N--CA 1.445 -0.694 0 C-N-CA 126.46 1.904 . . . . 0.0 107.556 -174.8 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 6.8 tt0 -107.26 -34.92 6.96 Favored 'General case' 0 N--CA 1.451 -0.391 0 C-N-CA 127.098 2.159 . . . . 0.0 109.81 169.333 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 25.3 m -157.48 161.13 38.86 Favored 'General case' 0 C--O 1.224 -0.269 0 O-C-N 121.476 -0.765 . . . . 0.0 109.397 -175.491 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 9.2 p -52.24 -33.3 16.85 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.558 0 O-C-N 121.204 -0.935 . . . . 0.0 112.528 -174.447 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -27.18 -51.31 0.06 Allowed 'General case' 0 CA--C 1.536 0.424 0 C-N-CA 127.932 2.493 . . . . 0.0 112.912 162.197 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 69.3 m-20 -71.85 -49.97 33.64 Favored 'General case' 0 N--CA 1.445 -0.691 0 C-N-CA 126.85 2.06 . . . . 0.0 108.962 -173.744 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 10' ' ' CYS . . . . . 0.464 ' HB3' ' CB ' ' A' ' 17' ' ' PRO . 0.2 OUTLIER -58.7 -31.19 68.02 Favored 'General case' 0 C--O 1.219 -0.539 0 C-N-CA 118.156 -1.417 . . . . 0.0 110.781 173.667 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 41.4 mt-30 -63.54 -15.36 57.76 Favored 'General case' 0 CA--C 1.54 0.572 0 CA-C-N 120.34 1.427 . . . . 0.0 112.05 179.87 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 33.9 mt-30 -80.14 -49.1 12.17 Favored 'General case' 0 C--N 1.342 0.28 0 CA-C-N 119.233 0.924 . . . . 0.0 110.007 162.776 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 23.7 t80 -62.42 -37.8 87.23 Favored 'General case' 0 CA--C 1.538 0.493 0 N-CA-C 113.783 1.031 . . . . 0.0 113.783 -170.249 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 16.8 m -136.52 143.83 43.94 Favored 'General case' 0 C--N 1.331 -0.209 0 C-N-CA 127.653 2.381 . . . . 0.0 108.303 -168.341 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -63.16 -47.89 80.73 Favored 'General case' 0 CA--C 1.535 0.372 0 N-CA-C 109.186 -0.672 . . . . 0.0 109.186 174.677 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 6.8 m -126.93 78.13 74.21 Favored Pre-proline 0 CA--C 1.533 0.321 0 C-N-CA 123.412 0.685 . . . . 0.0 111.691 -175.728 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 17' ' ' PRO . . . . . 0.48 ' HA ' ' HA ' ' A' ' 27' ' ' CYS . 5.3 Cg_endo -64.81 158.95 48.09 Favored 'Trans proline' 0 N--CA 1.434 -1.975 0 C-N-CA 121.667 1.578 . . . . 0.0 112.821 176.244 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 28.5 t0 -89.32 -61.89 1.6 Allowed 'General case' 0 N--CA 1.447 -0.586 0 N-CA-C 106.13 -1.804 . . . . 0.0 106.13 172.445 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 1.3 ptt85 -163.44 152.93 14.88 Favored 'General case' 0 N--CA 1.45 -0.463 0 N-CA-C 108.77 -0.826 . . . . 0.0 108.77 -177.862 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 45.3 t -80.78 110.93 16.76 Favored 'General case' 0 N--CA 1.454 -0.268 0 N-CA-C 105.657 -1.979 . . . . 0.0 105.657 147.12 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 2.8 m -158.51 145.5 17.6 Favored 'General case' 0 N--CA 1.448 -0.547 0 N-CA-C 108.323 -0.991 . . . . 0.0 108.323 -173.261 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 23.5 t80 54.77 40.23 31.82 Favored 'General case' 0 CA--C 1.539 0.524 0 CA-C-O 121.349 0.595 . . . . 0.0 110.948 -178.849 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 59.73 10.93 14.4 Favored Glycine 0 CA--C 1.537 1.458 0 C-N-CA 124.364 0.983 . . . . 0.0 114.294 -177.231 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 39.7 m -120.81 134.91 55.28 Favored 'General case' 0 N--CA 1.45 -0.452 0 C-N-CA 126.194 1.798 . . . . 0.0 107.572 -170.876 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 25' ' ' CYS . . . . . . . . . . . . 0.296 0.1 OUTLIER -88.68 85.37 6.78 Favored 'General case' 0 CA--C 1.534 0.358 0 CA-C-O 123.165 1.459 . . . . 0.0 107.313 171.402 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 58.2 m-85 -65.21 141.31 58.69 Favored 'General case' 0 N--CA 1.454 -0.246 0 C-N-CA 125.614 1.565 . . . . 0.0 108.637 179.388 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 27' ' ' CYS . . . . . 0.48 ' HA ' ' HA ' ' A' ' 17' ' ' PRO . 28.2 m -128.43 137.1 51.69 Favored 'General case' 0 C--N 1.345 0.371 0 N-CA-C 113.517 0.932 . . . . 0.0 113.517 -179.659 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 10.2 mmtp -69.93 -7.62 42.01 Favored 'General case' 0 CA--C 1.532 0.286 0 C-N-CA 123.183 0.593 . . . . 0.0 111.701 179.277 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 3.3 p -62.47 -13.52 31.13 Favored 'General case' 0 N--CA 1.452 -0.33 0 C-N-CA 123.38 0.672 . . . . 0.0 112.767 165.683 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 15.9 m -70.06 70.36 0.36 Allowed 'General case' 0 CA--C 1.536 0.41 0 C-N-CA 123.736 0.814 . . . . 0.0 109.328 169.704 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 31' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.331 -0.205 0 O-C-N 121.566 -0.709 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 1' ' ' PCA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.327 0 N-CA-C 108.008 -1.108 . . . . 0.0 108.008 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 24.8 p -153.23 142.55 21.58 Favored 'General case' 0 N--CA 1.444 -0.755 0 N-CA-C 104.714 -2.328 . . . . 0.0 104.714 179.791 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 87.4 mt-30 -64.23 -44.3 92.29 Favored 'General case' 0 C--N 1.327 -0.401 0 C-N-CA 123.535 0.734 . . . . 0.0 109.946 169.906 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 6.6 p -131.03 142.78 50.35 Favored 'General case' 0 CA--C 1.514 -0.419 0 C-N-CA 125.201 1.4 . . . . 0.0 109.892 -169.781 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 31.9 mt-30 -75.95 -32.44 59.55 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.056 -0.974 . . . . 0.0 110.041 175.8 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 4.4 m -173.9 170.68 3.84 Favored 'General case' 0 N--CA 1.457 -0.11 0 C-N-CA 126.287 1.835 . . . . 0.0 106.721 -173.308 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 8.5 p -48.57 -37.92 8.81 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.373 0 C-N-CA 123.744 0.818 . . . . 0.0 112.382 -177.476 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 2.1 mpt_? -43.76 -44.32 6.61 Favored 'General case' 0 CA--C 1.533 0.289 0 C-N-CA 124.761 1.224 . . . . 0.0 112.112 173.66 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -64.19 -45.55 87.85 Favored 'General case' 0 N--CA 1.45 -0.437 0 O-C-N 121.835 -0.541 . . . . 0.0 109.84 -179.663 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 10' ' ' CYS . . . . . 0.453 ' SG ' ' HB3' ' A' ' 17' ' ' PRO . 0.5 OUTLIER -60.73 -35.18 75.71 Favored 'General case' 0 C--O 1.219 -0.517 0 C-N-CA 117.745 -1.582 . . . . 0.0 110.64 172.049 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 40.8 mt-30 -60.17 -35.01 74.39 Favored 'General case' 0 CA--C 1.534 0.334 0 CA-C-N 120.016 1.28 . . . . 0.0 110.35 178.72 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 31.5 mt-30 -57.61 -44.84 85.77 Favored 'General case' 0 CA--C 1.537 0.448 0 O-C-N 121.797 -0.564 . . . . 0.0 110.017 169.325 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 2.8 t80 -73.98 -33.2 63.75 Favored 'General case' 0 CA--C 1.54 0.563 0 C-N-CA 124.857 1.263 . . . . 0.0 114.121 -173.382 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 23.2 m -147.75 139.43 23.91 Favored 'General case' 0 C--O 1.225 -0.196 0 C-N-CA 126.001 1.72 . . . . 0.0 109.178 -159.716 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -59.66 -49.58 77.2 Favored 'General case' 0 CA--C 1.535 0.391 0 N-CA-C 109.771 -0.455 . . . . 0.0 109.771 176.251 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 5.7 m -128.75 77.48 77.53 Favored Pre-proline 0 CA--C 1.534 0.363 0 C-N-CA 123.271 0.628 . . . . 0.0 112.057 -174.498 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 17' ' ' PRO . . . . . 0.461 ' HA ' ' HA ' ' A' ' 27' ' ' CYS . 1.0 OUTLIER -62.56 147.84 94.22 Favored 'Trans proline' 0 N--CA 1.436 -1.854 0 C-N-CA 121.884 1.723 . . . . 0.0 112.353 176.651 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 25.1 t0 -71.79 -57.91 3.93 Favored 'General case' 0 N--CA 1.449 -0.494 0 N-CA-C 106.505 -1.665 . . . . 0.0 106.505 169.493 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -161.96 162.0 28.84 Favored 'General case' 0 N--CA 1.452 -0.36 0 N-CA-C 109.15 -0.685 . . . . 0.0 109.15 -177.368 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 54.0 t -92.99 120.05 32.89 Favored 'General case' 0 N--CA 1.456 -0.171 0 N-CA-C 104.886 -2.265 . . . . 0.0 104.886 141.589 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 2.2 m -161.12 143.81 12.53 Favored 'General case' 0 N--CA 1.451 -0.396 0 N-CA-C 108.271 -1.011 . . . . 0.0 108.271 -170.439 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 48.4 t80 51.17 43.09 29.33 Favored 'General case' 0 CA--C 1.538 0.502 0 CA-C-O 121.476 0.655 . . . . 0.0 110.921 -175.875 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 54.24 21.78 19.98 Favored Glycine 0 CA--C 1.534 1.23 0 C-N-CA 124.152 0.882 . . . . 0.0 113.85 -177.731 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 63.8 m -128.39 136.4 50.84 Favored 'General case' 0 N--CA 1.452 -0.357 0 C-N-CA 125.962 1.705 . . . . 0.0 107.133 -172.737 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -92.21 117.43 29.87 Favored 'General case' 0 CA--C 1.53 0.194 0 N-CA-C 107.151 -1.426 . . . . 0.0 107.151 172.86 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 50.5 m-85 -109.13 138.86 44.82 Favored 'General case' 0 N--CA 1.452 -0.338 0 C-N-CA 127.016 2.126 . . . . 0.0 107.583 -172.914 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 27' ' ' CYS . . . . . 0.461 ' HA ' ' HA ' ' A' ' 17' ' ' PRO . 22.3 m -128.78 145.34 51.21 Favored 'General case' 0 C--N 1.343 0.286 0 C-N-CA 123.731 0.813 . . . . 0.0 112.333 -176.566 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 2.9 mmpt? -73.82 56.66 0.57 Allowed 'General case' 0 CA--C 1.535 0.366 0 C-N-CA 126.067 1.747 . . . . 0.0 110.758 -175.724 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 2.6 p -83.36 45.83 1.08 Allowed 'General case' 0 N--CA 1.45 -0.454 0 C-N-CA 126.328 1.851 . . . . 0.0 110.013 -173.661 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 4.7 m -79.9 63.74 4.53 Favored 'General case' 0 CA--C 1.533 0.327 0 C-N-CA 124.172 0.989 . . . . 0.0 110.197 -172.175 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 31' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.331 -0.22 0 O-C-N 121.813 -0.555 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 1' ' ' PCA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.404 0 N-CA-C 110.203 -0.295 . . . . 0.0 110.203 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 25.3 m -103.21 -113.63 0.22 Allowed 'General case' 0 CA--C 1.528 0.105 0 N-CA-C 106.709 -1.589 . . . . 0.0 106.709 167.091 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 80.4 mt-30 -58.21 -40.77 82.46 Favored 'General case' 0 CA--C 1.529 0.16 0 CA-C-N 118.949 0.795 . . . . 0.0 109.32 162.992 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 4.6 p -132.72 154.44 50.19 Favored 'General case' 0 N--CA 1.448 -0.541 0 C-N-CA 126.198 1.799 . . . . 0.0 109.73 -173.664 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 7.4 tt0 -79.26 -42.78 25.09 Favored 'General case' 0 CA--C 1.532 0.271 0 C-N-CA 124.976 1.31 . . . . 0.0 110.323 165.717 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 20.7 m -166.61 175.11 8.2 Favored 'General case' 0 CA--C 1.53 0.209 0 C-N-CA 126.023 1.729 . . . . 0.0 107.147 -173.523 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 8.5 p -54.84 -35.83 35.14 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.498 0 CA-C-N 118.998 0.817 . . . . 0.0 112.312 -177.274 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 3.7 mpt_? -51.51 -34.79 37.63 Favored 'General case' 0 CA--C 1.533 0.306 0 C-N-CA 123.842 0.857 . . . . 0.0 112.025 172.876 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -63.37 -53.57 50.35 Favored 'General case' 0 N--CA 1.453 -0.284 0 N-CA-C 108.384 -0.969 . . . . 0.0 108.384 173.987 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 10' ' ' CYS . . . . . 0.486 ' SG ' ' HB3' ' A' ' 17' ' ' PRO . 0.5 OUTLIER -55.67 -33.28 63.97 Favored 'General case' 0 C--O 1.221 -0.431 0 C-N-CA 117.924 -1.511 . . . . 0.0 111.478 178.455 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 38.1 mt-30 -56.38 -31.48 63.88 Favored 'General case' 0 CA--C 1.539 0.547 0 CA-C-N 119.189 0.904 . . . . 0.0 112.133 178.778 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 11.2 pt20 -79.04 -34.72 43.58 Favored 'General case' 0 N--CA 1.445 -0.719 0 CA-C-N 120.046 1.294 . . . . 0.0 111.249 172.318 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 77.5 m-85 -69.58 -30.69 68.53 Favored 'General case' 0 CA--C 1.543 0.681 0 N-CA-C 113.816 1.043 . . . . 0.0 113.816 176.76 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 18.4 m -147.46 138.34 23.53 Favored 'General case' 0 N--CA 1.463 0.176 0 C-N-CA 125.197 1.399 . . . . 0.0 109.607 -161.383 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 5.6 mp -69.72 -23.96 63.49 Favored 'General case' 0 CA--C 1.533 0.326 0 C-N-CA 122.753 0.421 . . . . 0.0 111.958 177.815 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 11.7 m -148.09 75.83 10.57 Favored Pre-proline 0 C--O 1.236 0.35 0 O-C-N 121.242 -0.911 . . . . 0.0 111.482 178.353 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 17' ' ' PRO . . . . . 0.486 ' HB3' ' SG ' ' A' ' 10' ' ' CYS . 4.8 Cg_endo -64.06 153.15 77.73 Favored 'Trans proline' 0 N--CA 1.432 -2.116 0 C-N-CA 122.148 1.899 . . . . 0.0 112.17 177.082 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 28.8 t0 -83.08 -61.45 1.85 Allowed 'General case' 0 N--CA 1.445 -0.709 0 N-CA-C 106.677 -1.601 . . . . 0.0 106.677 169.946 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 1.4 ptt85 -163.06 153.1 15.89 Favored 'General case' 0 N--CA 1.45 -0.472 0 N-CA-C 109.272 -0.64 . . . . 0.0 109.272 -176.867 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 43.2 t -81.29 109.46 15.82 Favored 'General case' 0 N--CA 1.453 -0.282 0 N-CA-C 105.591 -2.003 . . . . 0.0 105.591 147.335 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 2.8 m -155.75 141.93 18.36 Favored 'General case' 0 N--CA 1.447 -0.586 0 N-CA-C 108.894 -0.78 . . . . 0.0 108.894 -172.975 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 16.7 t80 52.04 43.13 30.66 Favored 'General case' 0 CA--C 1.538 0.516 0 CA-C-O 121.549 0.69 . . . . 0.0 110.787 -175.428 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 59.5 9.62 9.52 Favored Glycine 0 CA--C 1.536 1.356 0 C-N-CA 124.465 1.031 . . . . 0.0 114.483 -178.005 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 33.3 m -116.36 132.14 56.75 Favored 'General case' 0 N--CA 1.448 -0.534 0 C-N-CA 126.031 1.732 . . . . 0.0 107.322 -172.316 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 25' ' ' CYS . . . . . . . . . . . . 0.282 0.0 OUTLIER -87.16 85.49 7.21 Favored 'General case' 0 CA--C 1.533 0.313 0 CA-C-O 123.245 1.498 . . . . 0.0 107.107 172.506 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 56.2 m-85 -64.84 136.63 57.09 Favored 'General case' 0 N--CA 1.451 -0.401 0 C-N-CA 125.124 1.37 . . . . 0.0 108.652 178.48 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 27' ' ' CYS . . . . . 0.475 ' HA ' ' HA ' ' A' ' 17' ' ' PRO . 11.6 m -129.39 146.06 51.31 Favored 'General case' 0 CA--C 1.518 -0.286 0 C-N-CA 124.361 1.064 . . . . 0.0 110.476 175.887 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 91.4 mttt -80.42 48.19 1.01 Allowed 'General case' 0 CA--C 1.534 0.332 0 CA-C-O 121.041 0.448 . . . . 0.0 111.072 -176.636 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 13.2 t -83.79 57.98 4.4 Favored 'General case' 0 CA--C 1.535 0.395 0 N-CA-C 108.384 -0.969 . . . . 0.0 108.384 177.034 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 30' ' ' THR . . . . . 0.661 ' HG1' ' N ' ' A' ' 31' ' ' NH2 . 10.1 t -170.83 -172.47 1.17 Allowed 'General case' 0 CA--C 1.532 0.255 0 C-N-CA 124.766 1.227 . . . . 0.0 107.724 -175.714 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 31' ' ' NH2 . . . . . 0.661 ' N ' ' HG1' ' A' ' 30' ' ' THR . . . . . . . . 0 C--N 1.33 -0.278 0 O-C-N 122.141 -0.35 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 1' ' ' PCA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.29 0 CA-C-O 119.775 -0.155 . . . . 0.0 111.359 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 2.4 m -110.49 -133.05 0.33 Allowed 'General case' 0 CA--C 1.533 0.3 0 N-CA-C 107.023 -1.473 . . . . 0.0 107.023 175.153 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 79.4 mt-30 -66.14 -34.62 78.47 Favored 'General case' 0 N--CA 1.463 0.175 0 CA-C-N 120.123 1.329 . . . . 0.0 110.264 171.093 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 23.4 p -157.18 167.01 31.63 Favored 'General case' 0 N--CA 1.449 -0.487 0 C-N-CA 124.776 1.23 . . . . 0.0 108.684 -172.502 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 38.8 mt-30 -115.01 -26.59 7.67 Favored 'General case' 0 N--CA 1.451 -0.376 0 C-N-CA 126.051 1.74 . . . . 0.0 110.983 169.694 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 14.2 m -160.64 156.42 25.55 Favored 'General case' 0 C--O 1.224 -0.239 0 CA-C-N 119.522 1.055 . . . . 0.0 108.684 -175.748 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 8.5 p -46.18 -37.86 3.02 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.419 0 N-CA-C 113.639 0.977 . . . . 0.0 113.639 -171.512 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 94.6 mtt-85 -45.14 -43.34 9.8 Favored 'General case' 0 CA--C 1.533 0.32 0 C-N-CA 125.049 1.339 . . . . 0.0 113.105 175.232 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 69.2 m-20 -54.25 -53.88 47.69 Favored 'General case' 0 N--CA 1.447 -0.608 0 C-N-CA 124.213 1.005 . . . . 0.0 108.449 175.545 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 10' ' ' CYS . . . . . 0.486 ' HB3' ' CB ' ' A' ' 17' ' ' PRO . 0.5 OUTLIER -64.32 -32.9 74.68 Favored 'General case' 0 C--O 1.216 -0.66 0 C-N-CA 118.629 -1.228 . . . . 0.0 111.66 176.563 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 43.7 mt-30 -59.13 -33.52 70.97 Favored 'General case' 0 N--CA 1.465 0.313 0 CA-C-N 120.705 1.593 . . . . 0.0 110.204 -179.785 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -65.87 -42.66 90.06 Favored 'General case' 0 CA--C 1.536 0.405 0 O-C-N 121.988 -0.445 . . . . 0.0 110.289 170.459 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 7.1 t80 -71.41 -35.21 70.91 Favored 'General case' 0 CA--C 1.542 0.652 0 N-CA-C 114.921 1.452 . . . . 0.0 114.921 -174.494 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 6.6 m -143.61 146.48 33.32 Favored 'General case' 0 N--CA 1.465 0.321 0 C-N-CA 126.718 2.007 . . . . 0.0 109.761 -161.236 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -64.1 -54.0 40.83 Favored 'General case' 0 CA--C 1.533 0.32 0 N-CA-C 109.878 -0.416 . . . . 0.0 109.878 178.885 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 20.2 m -127.41 82.98 67.23 Favored Pre-proline 0 C--N 1.342 0.251 0 CA-C-N 117.944 0.338 . . . . 0.0 110.842 179.803 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 17' ' ' PRO . . . . . 0.486 ' CB ' ' HB3' ' A' ' 10' ' ' CYS . 2.2 Cg_endo -60.93 143.03 99.26 Favored 'Trans proline' 0 N--CA 1.434 -1.998 0 C-N-CA 121.372 1.382 . . . . 0.0 112.462 175.949 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 18' ' ' ASP . . . . . 0.424 ' H ' ' HA ' ' A' ' 27' ' ' CYS . 22.7 t0 -70.27 -58.64 3.54 Favored 'General case' 0 N--CA 1.449 -0.5 0 N-CA-C 106.358 -1.719 . . . . 0.0 106.358 170.286 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -163.84 154.69 15.85 Favored 'General case' 0 N--CA 1.45 -0.475 0 N-CA-C 108.867 -0.79 . . . . 0.0 108.867 -177.193 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 51.0 t -83.0 116.37 22.24 Favored 'General case' 0 N--CA 1.454 -0.26 0 N-CA-C 105.58 -2.007 . . . . 0.0 105.58 143.774 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 2.2 m -160.35 144.18 13.96 Favored 'General case' 0 N--CA 1.45 -0.466 0 N-CA-C 107.73 -1.211 . . . . 0.0 107.73 -174.054 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 29.9 t80 55.76 36.87 28.08 Favored 'General case' 0 CA--C 1.539 0.557 0 CA-C-N 118.481 0.582 . . . . 0.0 110.854 -176.125 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 54.38 19.42 12.56 Favored Glycine 0 CA--C 1.535 1.298 0 C-N-CA 124.467 1.032 . . . . 0.0 113.759 -175.159 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 60.8 m -122.23 134.75 54.69 Favored 'General case' 0 N--CA 1.45 -0.472 0 C-N-CA 126.817 2.047 . . . . 0.0 106.709 -173.456 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 25' ' ' CYS . . . . . . . . . . . . 0.256 0.0 OUTLIER -92.78 91.78 7.64 Favored 'General case' 0 CA--C 1.535 0.392 0 N-CA-C 107.351 -1.351 . . . . 0.0 107.351 176.625 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 52.0 m-85 -78.47 140.54 38.61 Favored 'General case' 0 N--CA 1.454 -0.255 0 C-N-CA 126.003 1.721 . . . . 0.0 108.843 -177.289 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 27' ' ' CYS . . . . . 0.467 ' HA ' ' HA ' ' A' ' 17' ' ' PRO . 33.7 m -127.17 126.52 42.99 Favored 'General case' 0 C--N 1.346 0.415 0 N-CA-C 115.342 1.608 . . . . 0.0 115.342 -173.557 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 19.3 mmtp -81.72 59.69 4.32 Favored 'General case' 0 CA--C 1.532 0.269 0 N-CA-C 106.657 -1.609 . . . . 0.0 106.657 162.794 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 17.7 m -150.04 56.1 0.95 Allowed 'General case' 0 CA--C 1.53 0.192 0 N-CA-C 107.404 -1.332 . . . . 0.0 107.404 -179.302 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 30' ' ' THR . . . . . 0.532 ' HG1' ' N ' ' A' ' 31' ' ' NH2 . 12.6 p -92.4 -67.96 0.83 Allowed 'General case' 0 N--CA 1.451 -0.381 0 C-N-CA 125.113 1.365 . . . . 0.0 108.733 179.928 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 31' ' ' NH2 . . . . . 0.532 ' N ' ' HG1' ' A' ' 30' ' ' THR . . . . . . . . 0 C--N 1.332 -0.16 0 CA-C-N 116.278 -0.419 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 1' ' ' PCA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 0.243 0 CA-C-O 119.701 -0.19 . . . . 0.0 110.688 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 1.7 m 81.62 143.3 0.07 Allowed 'General case' 0 CA--C 1.532 0.251 0 C-N-CA 126.088 1.755 . . . . 0.0 107.203 -161.844 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 74.0 mt-30 -52.97 -41.24 64.37 Favored 'General case' 0 N--CA 1.464 0.268 0 CA-C-O 121.379 0.609 . . . . 0.0 110.625 175.087 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 4' ' ' CYS . . . . . 0.43 ' HB2' ' HB2' ' A' ' 9' ' ' ASP . 25.2 p -149.94 158.5 44.23 Favored 'General case' 0 N--CA 1.444 -0.763 0 C-N-CA 125.639 1.576 . . . . 0.0 107.519 -176.676 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 77.0 mt-30 -121.83 -5.57 9.1 Favored 'General case' 0 C--N 1.325 -0.478 0 C-N-CA 124.732 1.213 . . . . 0.0 110.86 173.286 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 12.8 m -162.86 156.54 20.22 Favored 'General case' 0 C--O 1.224 -0.277 0 N-CA-C 107.819 -1.178 . . . . 0.0 107.819 176.818 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 10.9 p -52.22 -29.74 12.63 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.661 0 O-C-N 121.029 -1.044 . . . . 0.0 112.025 175.904 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 99.2 mtt180 -38.07 -53.5 1.39 Allowed 'General case' 0 CA--C 1.534 0.335 0 C-N-CA 125.873 1.669 . . . . 0.0 112.159 167.013 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 9' ' ' ASP . . . . . 0.43 ' HB2' ' HB2' ' A' ' 4' ' ' CYS . 48.3 m-20 -57.39 -57.15 13.91 Favored 'General case' 0 N--CA 1.448 -0.562 0 C-N-CA 124.983 1.313 . . . . 0.0 108.686 -177.712 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 10' ' ' CYS . . . . . 0.471 ' SG ' ' HB3' ' A' ' 17' ' ' PRO . 0.5 OUTLIER -59.63 -34.9 73.38 Favored 'General case' 0 C--O 1.219 -0.522 0 C-N-CA 118.66 -1.216 . . . . 0.0 111.337 -179.644 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 33.6 mt-30 -60.8 -22.64 64.35 Favored 'General case' 0 CA--C 1.535 0.402 0 CA-C-N 119.486 1.039 . . . . 0.0 111.392 -179.206 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 31.3 mt-30 -78.1 -44.72 25.36 Favored 'General case' 0 CA--C 1.532 0.267 0 CA-C-N 118.492 0.587 . . . . 0.0 110.158 169.196 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 53.4 m-85 -73.27 -20.76 60.76 Favored 'General case' 0 CA--C 1.542 0.639 0 N-CA-C 114.374 1.25 . . . . 0.0 114.374 -176.045 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 19.7 m -149.94 140.09 22.13 Favored 'General case' 0 C--O 1.226 -0.177 0 C-N-CA 125.732 1.613 . . . . 0.0 108.301 -168.792 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -64.09 -47.97 77.99 Favored 'General case' 0 CA--C 1.533 0.319 0 N-CA-C 109.662 -0.496 . . . . 0.0 109.662 177.591 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 20.4 m -126.61 79.93 70.75 Favored Pre-proline 0 CA--C 1.536 0.406 0 C-N-CA 123.363 0.665 . . . . 0.0 111.736 -178.653 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 17' ' ' PRO . . . . . 0.487 ' HA ' ' HA ' ' A' ' 27' ' ' CYS . 4.1 Cg_endo -62.35 150.78 85.94 Favored 'Trans proline' 0 N--CA 1.434 -2.025 0 C-N-CA 122.194 1.929 . . . . 0.0 112.639 174.495 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 18' ' ' ASP . . . . . 0.402 ' H ' ' HA ' ' A' ' 27' ' ' CYS . 24.2 t0 -79.34 -58.42 3.22 Favored 'General case' 0 N--CA 1.444 -0.737 0 N-CA-C 106.6 -1.629 . . . . 0.0 106.6 172.35 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -163.76 153.96 15.27 Favored 'General case' 0 N--CA 1.447 -0.622 0 N-CA-C 108.469 -0.937 . . . . 0.0 108.469 -178.237 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 52.9 t -84.64 112.33 20.36 Favored 'General case' 0 N--CA 1.452 -0.37 0 N-CA-C 105.449 -2.056 . . . . 0.0 105.449 146.363 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 2.9 m -160.28 147.76 16.26 Favored 'General case' 0 N--CA 1.452 -0.336 0 N-CA-C 108.65 -0.87 . . . . 0.0 108.65 -171.547 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 42.4 t80 52.68 39.96 29.39 Favored 'General case' 0 CA--C 1.538 0.51 0 CA-C-O 121.518 0.675 . . . . 0.0 110.915 -176.245 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 53.24 23.12 16.46 Favored Glycine 0 CA--C 1.535 1.315 0 C-N-CA 124.333 0.968 . . . . 0.0 114.016 -176.247 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 63.1 m -128.04 137.04 52.03 Favored 'General case' 0 N--CA 1.45 -0.446 0 C-N-CA 126.523 1.929 . . . . 0.0 107.199 -172.945 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -91.87 93.37 8.79 Favored 'General case' 0 CA--C 1.535 0.392 0 N-CA-C 107.404 -1.332 . . . . 0.0 107.404 173.23 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 56.4 m-85 -78.84 142.21 37.06 Favored 'General case' 0 C--O 1.233 0.198 0 C-N-CA 125.561 1.544 . . . . 0.0 108.642 -178.818 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 27' ' ' CYS . . . . . 0.487 ' HA ' ' HA ' ' A' ' 17' ' ' PRO . 23.3 m -127.49 144.98 50.99 Favored 'General case' 0 C--N 1.344 0.367 0 C-N-CA 123.934 0.894 . . . . 0.0 112.907 -177.873 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 58.9 mttm -80.15 60.76 3.76 Favored 'General case' 0 CA--C 1.532 0.256 0 N-CA-C 109.216 -0.661 . . . . 0.0 109.216 -179.26 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 6.4 t -167.26 135.49 2.56 Favored 'General case' 0 N--CA 1.444 -0.728 0 N-CA-C 105.859 -1.904 . . . . 0.0 105.859 179.897 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 30' ' ' THR . . . . . 0.626 ' HG1' ' N ' ' A' ' 31' ' ' NH2 . 10.1 t -166.95 -173.31 2.32 Favored 'General case' 0 C--N 1.327 -0.408 0 C-N-CA 126.069 1.748 . . . . 0.0 107.23 179.539 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 31' ' ' NH2 . . . . . 0.626 ' N ' ' HG1' ' A' ' 30' ' ' THR . . . . . . . . 0 C--N 1.329 -0.292 0 O-C-N 122.344 -0.222 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 1' ' ' PCA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.439 0 N-CA-C 108.683 -0.858 . . . . 0.0 108.683 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 7.1 m -148.44 -117.93 0.06 Allowed 'General case' 0 C--N 1.329 -0.287 0 N-CA-C 107.143 -1.428 . . . . 0.0 107.143 175.059 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 83.8 mt-30 -49.77 -38.56 34.54 Favored 'General case' 0 CA--C 1.531 0.232 0 C-N-CA 123.072 0.549 . . . . 0.0 110.606 165.783 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 4' ' ' CYS . . . . . 0.421 ' HB2' ' HB2' ' A' ' 9' ' ' ASP . 15.1 p -143.18 168.43 19.77 Favored 'General case' 0 N--CA 1.451 -0.393 0 C-N-CA 126.27 1.828 . . . . 0.0 109.243 -175.359 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 38.1 mt-30 -105.8 -36.66 6.96 Favored 'General case' 0 CA--C 1.534 0.35 0 C-N-CA 126.659 1.984 . . . . 0.0 109.828 166.271 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 1.2 p -152.72 172.59 16.44 Favored 'General case' 0 CA--C 1.514 -0.436 0 CA-C-O 122.019 0.914 . . . . 0.0 111.382 -177.306 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 6.2 p -54.86 -37.98 42.97 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.603 0 CA-C-N 115.641 -0.708 . . . . 0.0 111.295 -176.12 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 3.5 tmt_? -35.59 -44.76 0.33 Allowed 'General case' 0 N--CA 1.452 -0.374 0 C-N-CA 128.272 2.629 . . . . 0.0 113.525 167.168 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 9' ' ' ASP . . . . . 0.421 ' HB2' ' HB2' ' A' ' 4' ' ' CYS . 74.1 m-20 -70.28 -52.55 22.06 Favored 'General case' 0 N--CA 1.445 -0.71 0 N-CA-C 107.969 -1.123 . . . . 0.0 107.969 -178.21 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 10' ' ' CYS . . . . . 0.472 ' HB3' ' CB ' ' A' ' 17' ' ' PRO . 0.3 OUTLIER -57.08 -34.68 68.53 Favored 'General case' 0 C--O 1.219 -0.548 0 C-N-CA 118.794 -1.162 . . . . 0.0 111.815 176.933 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 84.6 mt-30 -58.56 -19.57 39.12 Favored 'General case' 0 CA--C 1.537 0.481 0 CA-C-N 119.195 0.907 . . . . 0.0 111.857 179.705 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 31.4 mt-30 -87.36 -43.84 11.82 Favored 'General case' 0 CA--C 1.535 0.367 0 C-N-CA 123.278 0.631 . . . . 0.0 110.071 171.236 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 89.2 m-85 -66.8 -28.22 68.2 Favored 'General case' 0 CA--C 1.543 0.705 0 N-CA-C 113.558 0.947 . . . . 0.0 113.558 179.994 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 19.1 m -146.42 140.86 26.61 Favored 'General case' 0 CA--C 1.52 -0.19 0 C-N-CA 126.245 1.818 . . . . 0.0 108.767 -165.647 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -63.49 -46.79 84.51 Favored 'General case' 0 CA--C 1.534 0.363 0 N-CA-C 109.395 -0.594 . . . . 0.0 109.395 175.355 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 6.9 m -127.4 74.64 77.61 Favored Pre-proline 0 CA--C 1.536 0.421 0 C-N-CA 123.143 0.577 . . . . 0.0 112.367 -173.295 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 17' ' ' PRO . . . . . 0.515 ' HA ' ' HA ' ' A' ' 27' ' ' CYS . 2.8 Cg_endo -64.39 153.57 76.16 Favored 'Trans proline' 0 N--CA 1.435 -1.959 0 C-N-CA 121.554 1.503 . . . . 0.0 113.491 179.706 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 18' ' ' ASP . . . . . 0.429 ' H ' ' HA ' ' A' ' 27' ' ' CYS . 38.2 t0 -80.61 -65.3 1.03 Allowed 'General case' 0 N--CA 1.445 -0.715 0 N-CA-C 106.06 -1.83 . . . . 0.0 106.06 171.156 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -161.01 153.06 19.93 Favored 'General case' 0 N--CA 1.449 -0.522 0 C-N-CA 124.401 1.08 . . . . 0.0 108.581 -176.502 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 52.7 t -83.49 111.01 18.68 Favored 'General case' 0 N--CA 1.453 -0.299 0 N-CA-C 105.662 -1.977 . . . . 0.0 105.662 147.805 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 3.1 m -159.65 153.02 22.3 Favored 'General case' 0 N--CA 1.45 -0.446 0 C-N-CA 123.915 0.886 . . . . 0.0 108.741 -171.595 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 27.6 t80 49.0 40.73 17.7 Favored 'General case' 0 CA--C 1.539 0.552 0 C-N-CA 123.712 0.805 . . . . 0.0 111.964 179.949 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 52.41 42.33 56.78 Favored Glycine 0 CA--C 1.532 1.11 0 C-N-CA 123.232 0.444 . . . . 0.0 112.103 -175.992 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 7.2 m -153.24 138.4 17.39 Favored 'General case' 0 N--CA 1.453 -0.308 0 N-CA-C 107.996 -1.113 . . . . 0.0 107.996 -176.789 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 25' ' ' CYS . . . . . . . . . . . . 0.264 0.0 OUTLIER -90.68 88.14 6.98 Favored 'General case' 0 CA--C 1.533 0.315 0 CA-C-O 123.24 1.495 . . . . 0.0 107.093 172.566 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 61.7 m-85 -69.65 139.99 53.6 Favored 'General case' 0 N--CA 1.451 -0.387 0 C-N-CA 125.287 1.435 . . . . 0.0 108.332 178.998 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 27' ' ' CYS . . . . . 0.515 ' HA ' ' HA ' ' A' ' 17' ' ' PRO . 21.9 m -123.6 141.93 51.53 Favored 'General case' 0 C--N 1.342 0.269 0 C-N-CA 123.657 0.783 . . . . 0.0 112.421 -179.523 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 52.0 mttp -73.39 -35.28 65.86 Favored 'General case' 0 C--N 1.342 0.26 0 N-CA-C 109.325 -0.62 . . . . 0.0 109.325 178.893 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 9.7 t -159.31 -174.68 4.81 Favored 'General case' 0 N--CA 1.438 -1.027 0 N-CA-C 105.027 -2.212 . . . . 0.0 105.027 164.562 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 6.6 m -157.28 -51.57 0.07 Allowed 'General case' 0 C--N 1.322 -0.622 0 C-N-CA 125.267 1.427 . . . . 0.0 109.364 -178.031 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 31' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.333 -0.142 0 O-C-N 121.999 -0.438 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 1' ' ' PCA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.449 -0.477 0 N-CA-C 109.09 -0.707 . . . . 0.0 109.09 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 25.6 m -101.12 -114.28 0.19 Allowed 'General case' 0 CA--C 1.53 0.181 0 N-CA-C 106.93 -1.507 . . . . 0.0 106.93 170.661 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 75.0 mt-30 -63.07 -35.17 79.36 Favored 'General case' 0 CA--C 1.531 0.24 0 N-CA-C 109.031 -0.729 . . . . 0.0 109.031 164.542 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 13.7 p -143.23 166.35 24.94 Favored 'General case' 0 N--CA 1.45 -0.462 0 C-N-CA 126.367 1.867 . . . . 0.0 108.326 179.796 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 4.3 tt0 -100.99 -41.68 6.7 Favored 'General case' 0 N--CA 1.45 -0.464 0 C-N-CA 125.815 1.646 . . . . 0.0 109.319 165.983 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -148.86 161.28 42.15 Favored 'General case' 0 C--O 1.223 -0.335 0 C-N-CA 123.602 0.761 . . . . 0.0 109.04 -165.931 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 10.0 p -52.89 -34.12 19.99 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.566 0 O-C-N 121.087 -1.008 . . . . 0.0 112.164 -178.514 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 72.0 mtt85 -49.5 -39.08 32.68 Favored 'General case' 0 CA--C 1.532 0.282 0 C-N-CA 124.444 1.097 . . . . 0.0 113.139 174.105 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 45.4 m-20 -57.21 -51.47 69.21 Favored 'General case' 0 N--CA 1.449 -0.495 0 N-CA-C 108.097 -1.075 . . . . 0.0 108.097 174.229 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 10' ' ' CYS . . . . . 0.439 ' HB3' ' CB ' ' A' ' 17' ' ' PRO . 0.1 OUTLIER -60.71 -34.8 74.93 Favored 'General case' 0 C--O 1.217 -0.644 0 C-N-CA 119.294 -0.962 . . . . 0.0 112.209 175.66 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 38.4 mt-30 -58.64 -24.33 60.92 Favored 'General case' 0 CA--C 1.537 0.448 0 CA-C-N 120.283 1.402 . . . . 0.0 111.551 179.678 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 32.2 mt-30 -77.31 -46.66 22.25 Favored 'General case' 0 CA--C 1.534 0.33 0 CA-C-N 118.281 0.492 . . . . 0.0 109.765 170.144 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 27.8 t80 -64.53 -39.07 93.09 Favored 'General case' 0 CA--C 1.536 0.405 0 N-CA-C 113.776 1.028 . . . . 0.0 113.776 -173.868 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 15.6 m -135.44 142.1 45.52 Favored 'General case' 0 CA--C 1.521 -0.17 0 C-N-CA 127.231 2.212 . . . . 0.0 108.542 -166.369 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 3.8 mm? -77.09 -15.72 59.47 Favored 'General case' 0 CA--C 1.532 0.275 0 C-N-CA 123.205 0.602 . . . . 0.0 110.648 175.468 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 6.3 m -148.29 72.16 10.98 Favored Pre-proline 0 CA--C 1.537 0.464 0 O-C-N 121.157 -0.964 . . . . 0.0 112.384 178.626 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 17' ' ' PRO . . . . . 0.523 ' HA ' ' HA ' ' A' ' 27' ' ' CYS . 5.9 Cg_endo -67.65 172.99 9.63 Favored 'Trans proline' 0 N--CA 1.436 -1.88 0 C-N-CA 121.258 1.305 . . . . 0.0 114.488 -178.772 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 7.5 t70 -111.74 -67.38 1.0 Allowed 'General case' 0 N--CA 1.445 -0.724 0 CA-C-N 113.947 -1.479 . . . . 0.0 109.66 173.2 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 5.2 ptt180 -155.36 144.18 20.63 Favored 'General case' 0 N--CA 1.436 -1.138 0 N-CA-C 109.555 -0.535 . . . . 0.0 109.555 -177.051 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 54.1 t -80.26 108.22 13.69 Favored 'General case' 0 N--CA 1.45 -0.457 0 N-CA-C 105.686 -1.968 . . . . 0.0 105.686 152.019 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 3.1 m -157.92 142.48 16.28 Favored 'General case' 0 N--CA 1.451 -0.393 0 N-CA-C 108.963 -0.755 . . . . 0.0 108.963 -170.528 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 98.1 m-85 50.32 33.53 7.62 Favored 'General case' 0 CA--C 1.537 0.475 0 C-N-CA 123.792 0.837 . . . . 0.0 111.355 -168.465 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 66.63 11.78 57.81 Favored Glycine 0 CA--C 1.536 1.372 0 CA-C-O 119.447 -0.64 . . . . 0.0 113.992 -179.712 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 53.0 m -116.22 135.9 53.49 Favored 'General case' 0 N--CA 1.453 -0.302 0 C-N-CA 126.315 1.846 . . . . 0.0 108.056 179.33 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 25' ' ' CYS . . . . . . . . . . . . 0.283 0.1 OUTLIER -88.6 86.61 7.04 Favored 'General case' 0 CA--C 1.534 0.355 0 CA-C-O 123.399 1.571 . . . . 0.0 108.344 174.114 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 63.4 m-85 -61.33 138.04 58.24 Favored 'General case' 0 N--CA 1.453 -0.292 0 C-N-CA 125.373 1.469 . . . . 0.0 109.135 174.421 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 27' ' ' CYS . . . . . 0.523 ' HA ' ' HA ' ' A' ' 17' ' ' PRO . 14.3 m -124.05 148.62 46.91 Favored 'General case' 0 CA--C 1.518 -0.269 0 C-N-CA 123.703 0.801 . . . . 0.0 111.691 174.997 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 48.3 mttp -72.82 -46.98 50.21 Favored 'General case' 0 C--N 1.339 0.124 0 N-CA-C 108.552 -0.907 . . . . 0.0 108.552 172.663 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 8.9 t -165.29 -176.02 3.87 Favored 'General case' 0 N--CA 1.44 -0.974 0 N-CA-C 106.009 -1.849 . . . . 0.0 106.009 175.348 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 2.4 m 171.0 -51.43 0.01 OUTLIER 'General case' 0 C--N 1.327 -0.386 0 C-N-CA 131.672 3.989 . . . . 0.0 106.902 177.13 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 31' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.333 -0.128 0 O-C-N 121.862 -0.524 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 1' ' ' PCA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.315 0 CA-C-O 121.328 0.585 . . . . 0.0 110.446 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 30.0 m -143.92 -109.54 0.11 Allowed 'General case' 0 C--N 1.33 -0.245 0 N-CA-C 107.668 -1.234 . . . . 0.0 107.668 173.922 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 81.6 mt-30 -59.46 -33.09 70.86 Favored 'General case' 0 N--CA 1.463 0.201 0 CA-C-N 118.876 0.762 . . . . 0.0 109.75 164.348 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 12.1 p -150.9 168.29 24.95 Favored 'General case' 0 N--CA 1.449 -0.494 0 C-N-CA 125.1 1.36 . . . . 0.0 108.852 -174.958 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 7.5 tt0 -104.34 -39.51 6.44 Favored 'General case' 0 N--CA 1.45 -0.462 0 C-N-CA 127.062 2.145 . . . . 0.0 109.223 166.402 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 1.5 p -153.08 175.14 13.33 Favored 'General case' 0 CA--C 1.514 -0.433 0 CA-C-O 121.852 0.834 . . . . 0.0 110.506 179.113 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 9.8 p -51.84 -36.41 19.28 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.568 0 CA-C-N 115.633 -0.712 . . . . 0.0 111.892 -177.324 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 99.9 mtt180 -45.26 -44.46 11.3 Favored 'General case' 0 CA--C 1.531 0.228 0 C-N-CA 125.497 1.519 . . . . 0.0 112.471 174.312 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 28.3 m-20 -57.68 -53.74 54.78 Favored 'General case' 0 C--O 1.241 0.627 0 CA-C-O 122.109 0.957 . . . . 0.0 108.805 178.145 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 10' ' ' CYS . . . . . 0.476 ' HB3' ' CB ' ' A' ' 17' ' ' PRO . 0.3 OUTLIER -63.02 -31.24 72.34 Favored 'General case' 0 N--CA 1.446 -0.63 0 CA-C-N 114.958 -1.019 . . . . 0.0 111.042 179.724 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 40.7 mt-30 -59.55 -26.61 65.51 Favored 'General case' 0 CA--C 1.536 0.425 0 CA-C-N 120.182 1.356 . . . . 0.0 111.004 179.529 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 15.2 mt-30 -71.62 -48.53 47.34 Favored 'General case' 0 CA--C 1.531 0.218 0 N-CA-C 108.776 -0.824 . . . . 0.0 108.776 168.763 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 5.6 t80 -63.62 -32.16 73.55 Favored 'General case' 0 CA--C 1.538 0.516 0 N-CA-C 113.903 1.075 . . . . 0.0 113.903 -172.951 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 21.7 m -150.1 142.05 23.87 Favored 'General case' 0 C--N 1.331 -0.219 0 C-N-CA 126.527 1.931 . . . . 0.0 109.307 -161.819 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -62.73 -49.17 76.09 Favored 'General case' 0 CA--C 1.535 0.376 0 N-CA-C 109.56 -0.533 . . . . 0.0 109.56 176.479 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 8.7 m -127.09 77.26 75.54 Favored Pre-proline 0 CA--C 1.534 0.361 0 C-N-CA 123.414 0.686 . . . . 0.0 111.791 -175.637 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 17' ' ' PRO . . . . . 0.494 ' HA ' ' HA ' ' A' ' 27' ' ' CYS . 3.3 Cg_endo -63.7 147.28 92.7 Favored 'Trans proline' 0 N--CA 1.433 -2.072 0 C-N-CA 121.653 1.569 . . . . 0.0 112.293 176.161 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 10.8 t0 -83.73 -56.88 3.47 Favored 'General case' 0 N--CA 1.451 -0.376 0 N-CA-C 106.995 -1.483 . . . . 0.0 106.995 178.218 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 6.3 ptt-85 -160.94 151.28 17.87 Favored 'General case' 0 N--CA 1.45 -0.456 0 O-C-N 121.869 -0.519 . . . . 0.0 109.716 175.397 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 40.8 t -85.0 112.94 21.05 Favored 'General case' 0 C--N 1.333 -0.136 0 N-CA-C 105.634 -1.988 . . . . 0.0 105.634 150.316 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 2.6 m -161.8 142.09 10.45 Favored 'General case' 0 N--CA 1.452 -0.357 0 N-CA-C 108.716 -0.846 . . . . 0.0 108.716 -168.873 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 79.0 m-85 49.76 45.0 25.0 Favored 'General case' 0 CA--C 1.535 0.385 0 C-N-CA 123.619 0.768 . . . . 0.0 110.99 -175.273 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 57.77 14.7 16.49 Favored Glycine 0 CA--C 1.536 1.351 0 C-N-CA 124.304 0.954 . . . . 0.0 114.223 -179.213 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 39.8 m -121.61 133.47 54.99 Favored 'General case' 0 N--CA 1.449 -0.478 0 C-N-CA 125.811 1.645 . . . . 0.0 107.279 -172.931 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 25' ' ' CYS . . . . . . . . . . . . 0.282 0.1 OUTLIER -91.3 85.18 5.75 Favored 'General case' 0 CA--C 1.535 0.402 0 CA-C-O 123.142 1.448 . . . . 0.0 107.316 174.074 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 51.4 m-85 -63.23 133.42 54.23 Favored 'General case' 0 N--CA 1.453 -0.29 0 C-N-CA 124.818 1.247 . . . . 0.0 108.069 177.472 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 27' ' ' CYS . . . . . 0.494 ' HA ' ' HA ' ' A' ' 17' ' ' PRO . 35.5 m -117.9 140.1 50.2 Favored 'General case' 0 CA--C 1.513 -0.463 0 C-N-CA 123.209 0.604 . . . . 0.0 111.254 175.597 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 6.2 tmtt? -79.67 36.59 0.32 Allowed 'General case' 0 CA--C 1.541 0.605 0 CA-C-O 121.21 0.528 . . . . 0.0 110.962 -175.44 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 2.1 m -83.8 47.67 1.33 Allowed 'General case' 0 CA--C 1.534 0.33 0 O-C-N 120.909 -1.119 . . . . 0.0 108.852 -178.375 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 72.4 p -80.29 71.68 7.09 Favored 'General case' 0 N--CA 1.453 -0.287 0 N-CA-C 109.022 -0.732 . . . . 0.0 109.022 -171.825 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 31' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.331 -0.232 0 O-C-N 122.907 0.129 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 1' ' ' PCA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.305 0 N-CA-C 108.717 -0.846 . . . . 0.0 108.717 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 10.9 p -153.26 170.17 21.26 Favored 'General case' 0 N--CA 1.437 -1.117 0 N-CA-C 103.65 -2.722 . . . . 0.0 103.65 -178.603 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 79.7 mt-30 -73.45 -35.17 65.72 Favored 'General case' 0 C--N 1.324 -0.525 0 C-N-CA 123.597 0.759 . . . . 0.0 109.647 178.88 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 20.9 p -140.19 160.35 40.15 Favored 'General case' 0 N--CA 1.454 -0.249 0 C-N-CA 126.12 1.768 . . . . 0.0 109.294 172.875 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 7.4 tt0 -100.49 -35.65 9.47 Favored 'General case' 0 N--CA 1.45 -0.457 0 C-N-CA 126.095 1.758 . . . . 0.0 109.62 171.332 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 15.2 m -161.23 161.81 30.93 Favored 'General case' 0 C--O 1.222 -0.392 0 C-N-CA 123.433 0.693 . . . . 0.0 109.33 -172.634 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 8.5 p -47.95 -36.42 5.7 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.427 0 N-CA-C 113.517 0.932 . . . . 0.0 113.517 -172.422 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 46.4 mtp85 -49.69 -39.52 36.98 Favored 'General case' 0 CA--C 1.531 0.223 0 C-N-CA 124.109 0.963 . . . . 0.0 112.963 175.74 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 45.5 m-20 -55.64 -53.94 50.32 Favored 'General case' 0 N--CA 1.448 -0.572 0 N-CA-C 108.538 -0.912 . . . . 0.0 108.538 173.837 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 10' ' ' CYS . . . . . 0.508 ' SG ' ' HB3' ' A' ' 17' ' ' PRO . 0.1 OUTLIER -58.28 -36.58 73.51 Favored 'General case' 0 N--CA 1.45 -0.439 0 CA-C-O 118.282 -0.866 . . . . 0.0 111.987 175.997 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 45.8 mt-30 -57.18 -25.49 59.06 Favored 'General case' 0 CA--C 1.537 0.468 0 CA-C-N 119.965 1.257 . . . . 0.0 111.393 178.617 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 27.1 mt-30 -76.96 -48.81 17.02 Favored 'General case' 0 CA--C 1.533 0.31 0 CA-C-N 118.415 0.552 . . . . 0.0 109.864 171.789 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 76.0 m-85 -70.52 -23.01 62.57 Favored 'General case' 0 CA--C 1.544 0.713 0 N-CA-C 113.283 0.845 . . . . 0.0 113.283 -174.292 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 20.8 m -149.35 141.99 24.48 Favored 'General case' 0 N--CA 1.463 0.197 0 C-N-CA 125.731 1.612 . . . . 0.0 109.682 -166.575 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -64.89 -50.35 66.89 Favored 'General case' 0 CA--C 1.534 0.363 0 C-N-CA 122.882 0.473 . . . . 0.0 109.795 177.425 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 20.7 m -125.33 81.38 63.95 Favored Pre-proline 0 CA--C 1.534 0.362 0 C-N-CA 123.409 0.684 . . . . 0.0 111.445 -178.1 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 17' ' ' PRO . . . . . 0.508 ' HB3' ' SG ' ' A' ' 10' ' ' CYS . 1.1 Cg_endo -63.88 162.01 30.55 Favored 'Trans proline' 0 N--CA 1.435 -1.953 0 C-N-CA 121.545 1.497 . . . . 0.0 114.164 176.357 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 28.4 t70 -96.67 -62.9 1.19 Allowed 'General case' 0 N--CA 1.453 -0.293 0 C-N-CA 127.014 2.126 . . . . 0.0 106.978 175.65 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -155.32 159.41 39.95 Favored 'General case' 0 N--CA 1.447 -0.612 0 N-CA-C 108.906 -0.776 . . . . 0.0 108.906 176.728 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 44.1 t -90.65 116.54 28.61 Favored 'General case' 0 N--CA 1.455 -0.196 0 N-CA-C 105.39 -2.078 . . . . 0.0 105.39 145.308 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 2.1 m -159.32 143.72 15.28 Favored 'General case' 0 N--CA 1.448 -0.563 0 N-CA-C 108.887 -0.782 . . . . 0.0 108.887 -172.019 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 91.1 m-85 51.34 35.25 13.41 Favored 'General case' 0 CA--C 1.538 0.505 0 C-N-CA 123.782 0.833 . . . . 0.0 111.485 -172.144 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 68.05 8.48 54.13 Favored Glycine 0 CA--C 1.535 1.333 0 CA-C-O 119.157 -0.802 . . . . 0.0 114.188 179.953 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 4.8 m -117.4 138.14 52.01 Favored 'General case' 0 N--CA 1.453 -0.286 0 C-N-CA 126.363 1.865 . . . . 0.0 109.014 -178.899 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -89.3 102.13 14.8 Favored 'General case' 0 CA--C 1.536 0.413 0 N-CA-C 107.361 -1.348 . . . . 0.0 107.361 173.091 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 71.5 m-85 -83.5 141.98 31.25 Favored 'General case' 0 N--CA 1.453 -0.291 0 C-N-CA 126.847 2.059 . . . . 0.0 108.162 178.022 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 27' ' ' CYS . . . . . 0.468 ' HA ' ' HA ' ' A' ' 17' ' ' PRO . 21.7 m -127.15 146.68 50.31 Favored 'General case' 0 C--N 1.345 0.404 0 N-CA-C 113.005 0.743 . . . . 0.0 113.005 -177.956 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -80.57 65.44 5.71 Favored 'General case' 0 N--CA 1.454 -0.258 0 N-CA-C 108.531 -0.914 . . . . 0.0 108.531 -177.838 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 2.2 m -148.18 -138.96 0.09 Allowed 'General case' 0 N--CA 1.451 -0.393 0 N-CA-C 106.63 -1.619 . . . . 0.0 106.63 175.757 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 21.7 p -78.14 69.53 4.37 Favored 'General case' 0 N--CA 1.452 -0.338 0 C-N-CA 124.004 0.922 . . . . 0.0 109.306 -177.567 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 31' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.332 -0.153 0 O-C-N 122.41 -0.182 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 1' ' ' PCA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.328 0 N-CA-C 108.885 -0.783 . . . . 0.0 108.885 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 8.6 m -138.14 -116.63 0.15 Allowed 'General case' 0 CA--C 1.53 0.176 0 N-CA-C 108.869 -0.789 . . . . 0.0 108.869 -161.484 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 82.5 mt-30 -57.0 -37.41 71.64 Favored 'General case' 0 N--CA 1.465 0.311 0 CA-C-N 119.122 0.873 . . . . 0.0 109.769 167.86 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 8.5 p -142.96 167.84 21.11 Favored 'General case' 0 N--CA 1.443 -0.784 0 C-N-CA 126.474 1.91 . . . . 0.0 107.948 -174.711 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 30.1 mt-30 -107.08 -34.35 7.18 Favored 'General case' 0 N--CA 1.451 -0.412 0 C-N-CA 126.315 1.846 . . . . 0.0 109.782 168.856 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 1.4 p -156.08 172.54 18.25 Favored 'General case' 0 CA--C 1.513 -0.455 0 CA-C-O 121.992 0.901 . . . . 0.0 110.5 178.131 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 8.4 p -51.64 -34.57 16.24 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.646 0 CA-C-N 115.284 -0.871 . . . . 0.0 111.866 -176.398 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 99.5 mtt180 -46.26 -45.96 17.53 Favored 'General case' 0 CA--C 1.532 0.28 0 C-N-CA 124.993 1.317 . . . . 0.0 112.419 173.561 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 46.0 m-20 -56.46 -51.85 66.91 Favored 'General case' 0 N--CA 1.449 -0.52 0 N-CA-C 108.617 -0.883 . . . . 0.0 108.617 178.356 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 10' ' ' CYS . . . . . 0.461 ' SG ' ' HB3' ' A' ' 17' ' ' PRO . 0.1 OUTLIER -58.64 -41.04 85.11 Favored 'General case' 0 C--O 1.215 -0.73 0 C-N-CA 117.968 -1.493 . . . . 0.0 110.976 174.633 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 41.6 mt-30 -58.99 -26.91 64.9 Favored 'General case' 0 CA--C 1.534 0.358 0 CA-C-N 120.784 1.629 . . . . 0.0 112.13 179.635 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 32.0 mt-30 -66.31 -43.17 87.01 Favored 'General case' 0 CA--C 1.534 0.346 0 CA-C-N 118.734 0.697 . . . . 0.0 110.489 169.575 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 65.2 m-85 -77.21 -60.18 2.47 Favored 'General case' 0 CA--C 1.543 0.679 0 N-CA-C 114.084 1.142 . . . . 0.0 114.084 -176.663 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 31.0 m -101.93 152.06 21.38 Favored 'General case' 0 C--N 1.333 -0.148 0 C-N-CA 128.151 2.58 . . . . 0.0 109.689 -171.129 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -74.72 -45.35 44.74 Favored 'General case' 0 N--CA 1.455 -0.199 0 N-CA-C 107.76 -1.2 . . . . 0.0 107.76 178.397 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 4.6 m -126.19 76.96 72.23 Favored Pre-proline 0 C--O 1.239 0.526 0 C-N-CA 123.533 0.733 . . . . 0.0 111.123 -176.685 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 17' ' ' PRO . . . . . 0.529 ' HA ' ' HA ' ' A' ' 27' ' ' CYS . 1.0 OUTLIER -66.21 158.66 53.65 Favored 'Trans proline' 0 N--CA 1.436 -1.888 0 C-N-CA 121.085 1.19 . . . . 0.0 113.219 177.421 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 29.4 t0 -88.91 -64.38 1.15 Allowed 'General case' 0 N--CA 1.452 -0.34 0 N-CA-C 106.007 -1.849 . . . . 0.0 106.007 173.215 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 1.6 ptt85 -162.55 153.02 16.82 Favored 'General case' 0 N--CA 1.448 -0.534 0 N-CA-C 109.073 -0.714 . . . . 0.0 109.073 -177.503 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 54.1 t -80.85 108.6 14.65 Favored 'General case' 0 N--CA 1.452 -0.368 0 N-CA-C 105.885 -1.895 . . . . 0.0 105.885 147.448 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 3.1 m -157.09 147.37 21.08 Favored 'General case' 0 N--CA 1.451 -0.384 0 N-CA-C 108.741 -0.836 . . . . 0.0 108.741 -173.165 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 73.1 m-85 49.26 41.66 20.5 Favored 'General case' 0 CA--C 1.538 0.494 0 C-N-CA 123.18 0.592 . . . . 0.0 110.461 -170.466 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 54.72 20.91 20.29 Favored Glycine 0 CA--C 1.535 1.32 0 C-N-CA 124.063 0.839 . . . . 0.0 113.996 -177.91 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 62.3 m -125.72 132.95 52.27 Favored 'General case' 0 N--CA 1.449 -0.493 0 C-N-CA 126.062 1.745 . . . . 0.0 107.324 -172.847 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 25' ' ' CYS . . . . . . . . . . . . 0.284 0.0 OUTLIER -84.92 86.42 7.37 Favored 'General case' 0 CA--C 1.535 0.366 0 CA-C-O 123.153 1.454 . . . . 0.0 107.574 172.932 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 68.5 m-85 -65.64 136.93 56.96 Favored 'General case' 0 N--CA 1.451 -0.378 0 C-N-CA 124.736 1.214 . . . . 0.0 108.371 176.073 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 27' ' ' CYS . . . . . 0.529 ' HA ' ' HA ' ' A' ' 17' ' ' PRO . 37.7 m -114.91 134.3 55.28 Favored 'General case' 0 C--N 1.343 0.308 0 O-C-N 123.527 0.517 . . . . 0.0 112.224 177.46 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -82.44 -50.14 9.18 Favored 'General case' 0 N--CA 1.443 -0.795 0 C-N-CA 124.451 1.101 . . . . 0.0 108.165 -173.734 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 32.2 m -151.14 74.29 1.14 Allowed 'General case' 0 CA--C 1.53 0.205 0 CA-C-O 121.501 0.667 . . . . 0.0 109.915 175.524 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 9.5 m -151.24 149.49 29.47 Favored 'General case' 0 CA--C 1.53 0.18 0 N-CA-C 105.443 -2.058 . . . . 0.0 105.443 157.17 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 31' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.332 -0.178 0 CA-C-N 118.522 0.601 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 1' ' ' PCA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.448 -0.561 0 N-CA-C 109.325 -0.62 . . . . 0.0 109.325 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 32.4 m -89.46 -109.52 0.08 Allowed 'General case' 0 CA--C 1.526 0.056 0 N-CA-C 106.092 -1.818 . . . . 0.0 106.092 160.514 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 80.6 mt-30 -62.7 -38.46 90.52 Favored 'General case' 0 CA--C 1.53 0.2 0 C-N-CA 119.457 -0.897 . . . . 0.0 108.826 155.085 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 12.0 p -145.13 157.41 44.1 Favored 'General case' 0 N--CA 1.447 -0.577 0 C-N-CA 125.83 1.652 . . . . 0.0 108.469 -174.128 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 32.2 tt0 -94.72 -34.18 12.64 Favored 'General case' 0 N--CA 1.455 -0.224 0 C-N-CA 125.095 1.358 . . . . 0.0 109.644 168.251 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 13.9 m -162.69 167.46 23.05 Favored 'General case' 0 C--O 1.225 -0.213 0 C-N-CA 124.01 0.924 . . . . 0.0 108.633 -173.399 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 9.8 p -47.23 -38.26 4.85 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.392 0 C-N-CA 124.024 0.93 . . . . 0.0 112.842 -175.357 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 81.3 mtt85 -49.18 -40.65 34.0 Favored 'General case' 0 CA--C 1.534 0.338 0 C-N-CA 124.219 1.007 . . . . 0.0 112.406 176.449 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 6.9 m-20 -62.87 -43.39 98.92 Favored 'General case' 0 N--CA 1.447 -0.58 0 N-CA-C 109.911 -0.403 . . . . 0.0 109.911 177.231 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 10' ' ' CYS . . . . . 0.471 ' HB3' ' CB ' ' A' ' 17' ' ' PRO . 0.5 OUTLIER -63.69 -35.71 81.44 Favored 'General case' 0 C--O 1.217 -0.619 0 C-N-CA 117.015 -1.874 . . . . 0.0 111.04 170.769 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 40.4 mt-30 -60.47 -38.84 85.5 Favored 'General case' 0 CA--C 1.534 0.347 0 CA-C-N 120.447 1.476 . . . . 0.0 110.158 -179.564 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 4.1 mt-30 -56.4 -40.05 74.03 Favored 'General case' 0 CA--C 1.54 0.581 0 O-C-N 122.126 -0.359 . . . . 0.0 110.257 170.221 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 4.1 t80 -77.15 -37.4 54.01 Favored 'General case' 0 CA--C 1.543 0.683 0 N-CA-C 114.792 1.404 . . . . 0.0 114.792 -176.789 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 7.5 m -142.9 139.3 30.73 Favored 'General case' 0 N--CA 1.463 0.222 0 C-N-CA 127.113 2.165 . . . . 0.0 108.491 -160.053 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -60.15 -48.99 79.39 Favored 'General case' 0 CA--C 1.534 0.362 0 N-CA-C 109.86 -0.422 . . . . 0.0 109.86 177.471 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 12.9 m -127.36 82.15 68.74 Favored Pre-proline 0 CA--C 1.535 0.379 0 C-N-CA 123.336 0.654 . . . . 0.0 111.803 -177.837 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 17' ' ' PRO . . . . . 0.527 ' HA ' ' HA ' ' A' ' 27' ' ' CYS . 2.4 Cg_endo -65.87 162.49 34.74 Favored 'Trans proline' 0 N--CA 1.436 -1.905 0 C-N-CA 121.533 1.489 . . . . 0.0 113.107 174.637 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 9.1 t0 -97.11 -57.23 2.32 Favored 'General case' 0 N--CA 1.452 -0.329 0 C-N-CA 125.877 1.671 . . . . 0.0 107.37 176.222 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 5.8 ptt-85 -158.13 155.25 28.81 Favored 'General case' 0 N--CA 1.452 -0.331 0 N-CA-C 109.695 -0.483 . . . . 0.0 109.695 175.586 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 41.6 t -87.93 117.89 27.09 Favored 'General case' 0 C--O 1.232 0.168 0 N-CA-C 105.217 -2.142 . . . . 0.0 105.217 147.524 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 2.0 m -162.03 141.33 9.67 Favored 'General case' 0 N--CA 1.451 -0.414 0 N-CA-C 108.483 -0.932 . . . . 0.0 108.483 -169.639 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 70.8 m-85 51.54 40.25 26.56 Favored 'General case' 0 CA--C 1.536 0.412 0 C-N-CA 123.384 0.674 . . . . 0.0 110.764 -171.484 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 54.75 18.73 11.7 Favored Glycine 0 CA--C 1.535 1.288 0 C-N-CA 124.28 0.943 . . . . 0.0 113.905 -176.889 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 55.1 m -120.9 137.05 54.78 Favored 'General case' 0 N--CA 1.45 -0.458 0 C-N-CA 126.538 1.935 . . . . 0.0 106.747 -174.421 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -93.99 98.84 11.29 Favored 'General case' 0 CA--C 1.537 0.443 0 CA-C-O 122.593 1.187 . . . . 0.0 108.018 177.238 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 50.2 m-85 -78.23 134.17 37.62 Favored 'General case' 0 N--CA 1.455 -0.207 0 C-N-CA 125.752 1.621 . . . . 0.0 108.065 177.308 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 27' ' ' CYS . . . . . 0.527 ' HA ' ' HA ' ' A' ' 17' ' ' PRO . 11.4 m -117.93 149.44 40.9 Favored 'General case' 0 C--N 1.343 0.305 0 C-N-CA 123.736 0.814 . . . . 0.0 111.348 173.458 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 24.8 mtpp -70.18 -38.8 75.48 Favored 'General case' 0 C--N 1.34 0.185 0 CA-C-O 121.0 0.429 . . . . 0.0 110.405 -174.054 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 24.5 m -157.88 136.52 11.27 Favored 'General case' 0 N--CA 1.446 -0.66 0 N-CA-C 104.352 -2.462 . . . . 0.0 104.352 175.61 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 1.2 m -50.25 -44.84 53.69 Favored 'General case' 0 CA--C 1.533 0.323 0 C-N-CA 125.67 1.588 . . . . 0.0 112.318 -174.265 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 31' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.334 -0.08 0 O-C-N 121.833 -0.542 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 1' ' ' PCA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.4 0 N-CA-C 109.07 -0.715 . . . . 0.0 109.07 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 20.8 m -94.45 -113.78 0.11 Allowed 'General case' 0 CA--C 1.529 0.163 0 N-CA-C 106.937 -1.505 . . . . 0.0 106.937 174.013 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 81.3 mt-30 -58.9 -41.03 86.23 Favored 'General case' 0 N--CA 1.463 0.196 0 O-C-N 121.276 -0.89 . . . . 0.0 109.032 160.378 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 17.9 p -143.43 168.59 19.46 Favored 'General case' 0 N--CA 1.446 -0.657 0 C-N-CA 127.246 2.218 . . . . 0.0 108.764 -174.641 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 3.2 tt0 -112.27 -30.54 7.15 Favored 'General case' 0 N--CA 1.448 -0.542 0 C-N-CA 127.24 2.216 . . . . 0.0 110.476 171.455 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 33.4 m -160.92 160.58 31.05 Favored 'General case' 0 C--O 1.222 -0.37 0 C-N-CA 124.343 1.057 . . . . 0.0 108.359 -175.29 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 10.0 p -48.62 -34.8 5.88 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.54 0 O-C-N 121.349 -0.845 . . . . 0.0 113.024 -175.344 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 99.8 mtt180 -42.5 -46.41 4.81 Favored 'General case' 0 CA--C 1.533 0.291 0 C-N-CA 125.714 1.605 . . . . 0.0 112.543 172.301 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 29.9 m-20 -55.02 -55.52 30.07 Favored 'General case' 0 N--CA 1.449 -0.523 0 C-N-CA 124.059 0.944 . . . . 0.0 108.834 175.988 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 10' ' ' CYS . . . . . 0.49 ' HB3' ' CB ' ' A' ' 17' ' ' PRO . 0.1 OUTLIER -58.03 -35.63 71.57 Favored 'General case' 0 C--O 1.219 -0.537 0 CA-C-O 118.412 -0.804 . . . . 0.0 111.852 177.38 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 40.7 mt-30 -58.91 -22.78 60.32 Favored 'General case' 0 CA--C 1.539 0.533 0 CA-C-N 119.748 1.158 . . . . 0.0 111.283 179.407 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 33.2 mt-30 -80.55 -47.03 14.8 Favored 'General case' 0 CA--C 1.533 0.296 0 CA-C-N 118.353 0.524 . . . . 0.0 110.346 170.6 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 85.0 m-85 -69.57 -24.94 63.77 Favored 'General case' 0 CA--C 1.546 0.789 0 N-CA-C 113.349 0.87 . . . . 0.0 113.349 -175.957 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 19.5 m -148.87 139.45 22.63 Favored 'General case' 0 N--CA 1.463 0.213 0 C-N-CA 126.358 1.863 . . . . 0.0 108.449 -167.124 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 3.9 mm? -67.26 -41.51 85.43 Favored 'General case' 0 CA--C 1.53 0.207 0 N-CA-C 110.428 -0.212 . . . . 0.0 110.428 178.345 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 17.8 m -127.68 80.78 71.4 Favored Pre-proline 0 C--O 1.234 0.269 0 C-N-CA 122.982 0.513 . . . . 0.0 111.469 -179.221 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 17' ' ' PRO . . . . . 0.507 ' HA ' ' HA ' ' A' ' 27' ' ' CYS . 2.4 Cg_endo -68.19 157.95 59.59 Favored 'Trans proline' 0 N--CA 1.439 -1.719 0 C-N-CA 121.333 1.355 . . . . 0.0 114.607 176.662 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 17.8 t70 -86.17 -62.76 1.44 Allowed 'General case' 0 N--CA 1.453 -0.302 0 N-CA-C 106.28 -1.748 . . . . 0.0 106.28 171.33 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -162.47 154.49 18.71 Favored 'General case' 0 N--CA 1.451 -0.378 0 C-N-CA 123.858 0.863 . . . . 0.0 109.148 -177.757 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 53.9 t -82.34 113.84 20.4 Favored 'General case' 0 N--CA 1.455 -0.188 0 N-CA-C 105.735 -1.95 . . . . 0.0 105.735 146.588 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 2.4 m -159.77 144.6 15.14 Favored 'General case' 0 N--CA 1.45 -0.427 0 N-CA-C 108.075 -1.084 . . . . 0.0 108.075 -172.819 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER 55.83 38.48 30.1 Favored 'General case' 0 CA--C 1.543 0.679 0 CA-C-O 121.402 0.62 . . . . 0.0 110.399 -177.404 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 56.67 15.92 14.44 Favored Glycine 0 CA--C 1.536 1.386 0 C-N-CA 124.28 0.943 . . . . 0.0 114.064 -176.506 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 59.0 m -122.31 134.0 54.66 Favored 'General case' 0 N--CA 1.449 -0.481 0 C-N-CA 126.224 1.81 . . . . 0.0 107.122 -172.259 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 25' ' ' CYS . . . . . . . . . . . . 0.257 0.0 OUTLIER -86.22 89.51 7.87 Favored 'General case' 0 CA--C 1.534 0.365 0 N-CA-C 106.766 -1.568 . . . . 0.0 106.766 171.412 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 44.7 m-85 -68.79 131.75 45.67 Favored 'General case' 0 N--CA 1.451 -0.405 0 N-CA-C 107.733 -1.21 . . . . 0.0 107.733 177.114 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 27' ' ' CYS . . . . . 0.507 ' HA ' ' HA ' ' A' ' 17' ' ' PRO . 44.7 m -107.18 139.99 40.75 Favored 'General case' 0 C--N 1.341 0.201 0 CA-C-N 118.28 0.491 . . . . 0.0 111.251 178.804 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -70.34 -33.72 71.8 Favored 'General case' 0 C--O 1.235 0.301 0 N-CA-C 109.072 -0.714 . . . . 0.0 109.072 -170.805 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 3.4 m -144.55 -137.71 0.1 Allowed 'General case' 0 N--CA 1.451 -0.404 0 N-CA-C 105.003 -2.221 . . . . 0.0 105.003 163.965 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 30' ' ' THR . . . . . 0.629 ' HG1' ' N ' ' A' ' 31' ' ' NH2 . 15.1 t -72.79 -179.44 3.13 Favored 'General case' 0 CA--C 1.538 0.513 0 CA-C-N 119.753 1.16 . . . . 0.0 111.31 177.993 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 31' ' ' NH2 . . . . . 0.629 ' N ' ' HG1' ' A' ' 30' ' ' THR . . . . . . . . 0 C--N 1.33 -0.254 0 O-C-N 121.885 -0.509 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 1' ' ' PCA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.316 0 CA-C-O 120.982 0.42 . . . . 0.0 110.086 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 20.8 m -141.29 -115.71 0.12 Allowed 'General case' 0 C--N 1.33 -0.242 0 N-CA-C 107.295 -1.372 . . . . 0.0 107.295 169.022 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 82.8 mt-30 -59.0 -37.5 77.02 Favored 'General case' 0 CA--C 1.531 0.245 0 CA-C-N 119.345 0.975 . . . . 0.0 109.703 166.531 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 13.5 p -145.16 175.15 10.47 Favored 'General case' 0 N--CA 1.449 -0.489 0 C-N-CA 126.504 1.921 . . . . 0.0 108.844 -174.007 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 35.4 mt-30 -113.55 -33.46 5.87 Favored 'General case' 0 CA--C 1.535 0.372 0 C-N-CA 127.624 2.37 . . . . 0.0 110.507 166.19 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 26.3 m -159.74 164.1 34.13 Favored 'General case' 0 C--O 1.222 -0.353 0 CA-C-N 119.426 1.012 . . . . 0.0 108.815 -175.507 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 10.0 p -49.81 -35.23 10.1 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.568 0 O-C-N 121.237 -0.915 . . . . 0.0 113.054 -174.097 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 62.6 ttt180 -46.92 -37.61 9.24 Favored 'General case' 0 CA--C 1.536 0.435 0 C-N-CA 125.811 1.644 . . . . 0.0 113.018 174.548 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 56.6 m-20 -61.43 -57.65 11.34 Favored 'General case' 0 N--CA 1.448 -0.568 0 C-N-CA 124.147 0.979 . . . . 0.0 108.398 173.991 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 10' ' ' CYS . . . . . 0.476 ' HB3' ' CB ' ' A' ' 17' ' ' PRO . 0.1 OUTLIER -57.15 -34.37 68.35 Favored 'General case' 0 N--CA 1.449 -0.485 0 C-N-CA 119.578 -0.849 . . . . 0.0 112.007 179.449 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 39.7 mt-30 -58.13 -22.49 51.27 Favored 'General case' 0 CA--C 1.539 0.534 0 CA-C-N 119.258 0.935 . . . . 0.0 111.329 180.0 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 36.1 mt-30 -84.9 -44.78 12.87 Favored 'General case' 0 CA--C 1.534 0.364 0 C-N-CA 123.269 0.628 . . . . 0.0 109.805 173.206 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 90.2 m-85 -66.21 -28.03 68.43 Favored 'General case' 0 CA--C 1.542 0.667 0 N-CA-C 113.412 0.893 . . . . 0.0 113.412 179.984 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 15.5 m -145.22 136.49 25.01 Favored 'General case' 0 CA--C 1.522 -0.13 0 C-N-CA 125.916 1.686 . . . . 0.0 108.702 -165.164 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -68.16 -24.25 64.96 Favored 'General case' 0 CA--C 1.536 0.422 0 C-N-CA 122.53 0.332 . . . . 0.0 111.024 177.228 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 6.7 m -147.83 80.4 8.88 Favored Pre-proline 0 C--O 1.235 0.319 0 O-C-N 120.935 -1.103 . . . . 0.0 111.463 177.936 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 17' ' ' PRO . . . . . 0.537 ' HA ' ' HA ' ' A' ' 27' ' ' CYS . 8.9 Cg_endo -64.62 162.8 29.79 Favored 'Trans proline' 0 N--CA 1.435 -1.919 0 C-N-CA 122.529 2.152 . . . . 0.0 113.088 174.831 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 24.8 t70 -96.12 -60.85 1.54 Allowed 'General case' 0 N--CA 1.449 -0.497 0 C-N-CA 125.932 1.693 . . . . 0.0 107.249 169.804 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 7.7 ptt-85 -159.15 149.72 19.59 Favored 'General case' 0 N--CA 1.443 -0.823 0 N-CA-C 110.163 -0.31 . . . . 0.0 110.163 -176.104 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 41.6 t -86.7 111.95 21.18 Favored 'General case' 0 C--N 1.333 -0.152 0 N-CA-C 105.543 -2.021 . . . . 0.0 105.543 151.989 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 3.2 m -162.11 143.29 10.66 Favored 'General case' 0 N--CA 1.45 -0.427 0 N-CA-C 108.257 -1.016 . . . . 0.0 108.257 -169.355 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 45.4 t80 52.96 41.96 32.12 Favored 'General case' 0 CA--C 1.539 0.542 0 CA-C-O 121.525 0.679 . . . . 0.0 110.78 -176.828 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 57.6 12.88 10.45 Favored Glycine 0 CA--C 1.536 1.386 0 C-N-CA 124.379 0.99 . . . . 0.0 114.317 -177.548 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 41.2 m -119.36 134.66 55.1 Favored 'General case' 0 N--CA 1.45 -0.455 0 C-N-CA 126.051 1.74 . . . . 0.0 107.275 -172.524 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 25' ' ' CYS . . . . . . . . . . . . 0.28 0.1 OUTLIER -91.91 87.6 6.29 Favored 'General case' 0 CA--C 1.536 0.439 0 CA-C-O 123.291 1.519 . . . . 0.0 107.387 172.531 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 58.5 m-85 -65.85 139.41 58.3 Favored 'General case' 0 N--CA 1.453 -0.32 0 C-N-CA 125.537 1.535 . . . . 0.0 109.02 177.699 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 27' ' ' CYS . . . . . 0.537 ' HA ' ' HA ' ' A' ' 17' ' ' PRO . 7.6 m -129.34 147.31 51.16 Favored 'General case' 0 C--N 1.343 0.311 0 C-N-CA 124.551 1.14 . . . . 0.0 111.92 176.979 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 73.7 mmtt -52.65 -40.81 63.19 Favored 'General case' 0 C--N 1.342 0.255 0 O-C-N 123.718 0.636 . . . . 0.0 111.298 -173.189 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 14.9 t -120.82 52.43 1.18 Allowed 'General case' 0 CA--C 1.535 0.389 0 C-N-CA 123.935 0.894 . . . . 0.0 109.035 174.011 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 9.7 t -56.48 -38.73 72.11 Favored 'General case' 0 CA--C 1.536 0.438 0 O-C-N 121.509 -0.744 . . . . 0.0 111.466 174.564 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 31' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.335 -0.057 0 O-C-N 121.639 -0.663 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 1' ' ' PCA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.433 0 N-CA-C 108.808 -0.812 . . . . 0.0 108.808 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 28.0 m -99.11 -110.95 0.18 Allowed 'General case' 0 CA--C 1.529 0.152 0 N-CA-C 107.015 -1.476 . . . . 0.0 107.015 175.022 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 82.0 mt-30 -61.17 -35.44 77.15 Favored 'General case' 0 N--CA 1.464 0.228 0 O-C-N 121.41 -0.806 . . . . 0.0 109.187 159.791 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 4' ' ' CYS . . . . . 0.428 ' HB2' ' HB2' ' A' ' 9' ' ' ASP . 12.1 p -148.28 162.18 40.03 Favored 'General case' 0 N--CA 1.443 -0.806 0 C-N-CA 125.915 1.686 . . . . 0.0 108.638 -175.178 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 7.0 tt0 -99.46 -39.4 8.37 Favored 'General case' 0 N--CA 1.447 -0.593 0 C-N-CA 126.713 2.005 . . . . 0.0 108.747 166.665 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 1.8 p -155.29 174.08 15.72 Favored 'General case' 0 C--O 1.221 -0.445 0 CA-C-O 122.015 0.912 . . . . 0.0 111.333 179.889 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 7.9 p -50.27 -36.78 13.42 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.549 0 CA-C-N 115.537 -0.756 . . . . 0.0 112.636 -173.75 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 3.8 mpt_? -49.03 -45.18 42.3 Favored 'General case' 0 CA--C 1.534 0.327 0 C-N-CA 124.605 1.162 . . . . 0.0 112.025 175.438 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 9' ' ' ASP . . . . . 0.428 ' HB2' ' HB2' ' A' ' 4' ' ' CYS . 49.1 m-20 -54.94 -52.0 64.36 Favored 'General case' 0 N--CA 1.447 -0.603 0 N-CA-C 108.436 -0.95 . . . . 0.0 108.436 176.818 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 10' ' ' CYS . . . . . 0.476 ' SG ' ' HB3' ' A' ' 17' ' ' PRO . 0.1 OUTLIER -61.27 -39.58 90.94 Favored 'General case' 0 C--O 1.215 -0.744 0 C-N-CA 117.108 -1.837 . . . . 0.0 111.442 175.485 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 41.3 mt-30 -56.52 -35.2 67.79 Favored 'General case' 0 CA--C 1.534 0.357 0 CA-C-N 120.946 1.703 . . . . 0.0 110.789 179.287 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 5.7 mt-30 -63.54 -38.49 91.31 Favored 'General case' 0 CA--C 1.539 0.527 0 O-C-N 122.237 -0.29 . . . . 0.0 110.941 173.959 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 5.9 m-85 -73.68 -62.57 1.45 Allowed 'General case' 0 CA--C 1.545 0.772 0 CA-C-N 118.589 0.631 . . . . 0.0 112.605 178.036 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 21.9 m -111.86 141.58 45.32 Favored 'General case' 0 C--O 1.226 -0.135 0 C-N-CA 129.626 3.17 . . . . 0.0 109.292 -162.785 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 3.7 mm? -59.7 -46.15 89.94 Favored 'General case' 0 CA--C 1.531 0.238 0 C-N-CA 122.498 0.319 . . . . 0.0 110.266 175.405 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 11.9 m -129.25 79.64 73.88 Favored Pre-proline 0 C--O 1.235 0.342 0 C-N-CA 123.28 0.632 . . . . 0.0 111.312 -174.345 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 17' ' ' PRO . . . . . 0.539 ' HA ' ' HA ' ' A' ' 27' ' ' CYS . 1.0 OUTLIER -66.66 154.98 72.5 Favored 'Trans proline' 0 N--CA 1.436 -1.887 0 C-N-CA 121.013 1.142 . . . . 0.0 113.111 177.009 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 28.7 t70 -81.89 -61.76 1.83 Allowed 'General case' 0 N--CA 1.454 -0.264 0 N-CA-C 106.038 -1.838 . . . . 0.0 106.038 170.693 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 1.9 ptt85 -163.66 155.02 16.62 Favored 'General case' 0 N--CA 1.448 -0.547 0 N-CA-C 108.902 -0.777 . . . . 0.0 108.902 -178.412 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 52.9 t -82.12 112.6 19.31 Favored 'General case' 0 N--CA 1.453 -0.287 0 N-CA-C 105.531 -2.025 . . . . 0.0 105.531 145.767 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 2.4 m -155.75 141.42 17.92 Favored 'General case' 0 N--CA 1.45 -0.456 0 N-CA-C 108.792 -0.818 . . . . 0.0 108.792 -174.375 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 89.3 m-85 47.69 46.63 18.14 Favored 'General case' 0 CA--C 1.537 0.454 0 C-N-CA 123.702 0.801 . . . . 0.0 110.935 -172.107 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 57.33 14.42 12.67 Favored Glycine 0 CA--C 1.536 1.378 0 C-N-CA 124.421 1.01 . . . . 0.0 114.25 -179.868 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 35.4 m -117.51 129.31 55.72 Favored 'General case' 0 N--CA 1.448 -0.549 0 C-N-CA 125.91 1.684 . . . . 0.0 106.948 -174.118 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 25' ' ' CYS . . . . . . . . . . . . 0.254 0.0 OUTLIER -85.03 86.96 7.34 Favored 'General case' 0 CA--C 1.534 0.337 0 N-CA-C 106.636 -1.616 . . . . 0.0 106.636 172.016 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 69.2 m-85 -68.03 132.6 47.57 Favored 'General case' 0 N--CA 1.45 -0.443 0 CA-C-N 114.455 -1.248 . . . . 0.0 107.811 177.165 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 27' ' ' CYS . . . . . 0.539 ' HA ' ' HA ' ' A' ' 17' ' ' PRO . 36.1 m -109.28 140.44 42.92 Favored 'General case' 0 C--N 1.341 0.234 0 CA-C-N 118.477 0.58 . . . . 0.0 111.123 175.745 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 4.8 tmtt? -73.6 -39.79 64.33 Favored 'General case' 0 C--N 1.341 0.208 0 N-CA-C 110.148 -0.315 . . . . 0.0 110.148 -168.819 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 71.0 p -126.82 -135.51 0.25 Allowed 'General case' 0 CA--C 1.537 0.449 0 N-CA-C 107.094 -1.447 . . . . 0.0 107.094 170.271 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 1.6 m -73.35 67.43 1.01 Allowed 'General case' 0 CA--C 1.536 0.408 0 C-N-CA 125.074 1.349 . . . . 0.0 111.227 -174.386 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 31' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.33 -0.262 0 O-C-N 121.328 -0.858 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 021 nuclear nobuild full ' A' A ' 1' ' ' PCA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.34 0 N-CA-C 108.766 -0.828 . . . . 0.0 108.766 . . . . . . . . . 0 0 . 1 . 021 nuclear nobuild full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 37.1 p -154.78 164.85 38.2 Favored 'General case' 0 N--CA 1.437 -1.095 0 N-CA-C 103.975 -2.602 . . . . 0.0 103.975 -178.18 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 86.4 mt-30 -62.93 -42.53 99.83 Favored 'General case' 0 C--N 1.324 -0.543 0 C-N-CA 123.236 0.614 . . . . 0.0 110.199 168.239 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 7.1 p -133.3 142.01 48.27 Favored 'General case' 0 CA--C 1.513 -0.443 0 C-N-CA 125.04 1.336 . . . . 0.0 110.02 -170.852 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 32.7 mt-30 -73.05 -34.91 66.58 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.139 -0.937 . . . . 0.0 109.594 174.024 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 4.4 m -173.1 171.82 4.05 Favored 'General case' 0 CA--C 1.53 0.182 0 C-N-CA 126.311 1.845 . . . . 0.0 106.76 -174.338 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 9.6 p -45.97 -39.52 3.27 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.405 0 C-N-CA 124.481 1.112 . . . . 0.0 113.01 -177.464 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 3.9 mpt_? -44.53 -45.14 9.16 Favored 'General case' 0 N--CA 1.464 0.245 0 C-N-CA 124.353 1.061 . . . . 0.0 112.152 174.804 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 3.2 m-20 -62.5 -43.69 98.19 Favored 'General case' 0 N--CA 1.45 -0.472 0 N-CA-C 109.87 -0.419 . . . . 0.0 109.87 -179.381 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 10' ' ' CYS . . . . . 0.475 ' SG ' ' HB3' ' A' ' 17' ' ' PRO . 0.2 OUTLIER -64.81 -35.56 81.48 Favored 'General case' 0 C--O 1.217 -0.642 0 C-N-CA 117.27 -1.772 . . . . 0.0 111.378 171.586 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 43.1 mt-30 -61.13 -39.12 88.85 Favored 'General case' 0 CA--C 1.533 0.291 0 CA-C-N 120.401 1.455 . . . . 0.0 110.003 -178.688 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 5.0 mt-30 -56.03 -44.27 78.59 Favored 'General case' 0 CA--C 1.538 0.497 0 N-CA-C 110.092 -0.336 . . . . 0.0 110.092 170.93 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 17.9 t80 -73.39 -39.78 64.84 Favored 'General case' 0 CA--C 1.539 0.527 0 N-CA-C 114.509 1.3 . . . . 0.0 114.509 -175.017 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 9.1 m -137.45 137.39 38.69 Favored 'General case' 0 N--CA 1.464 0.228 0 C-N-CA 126.657 1.983 . . . . 0.0 109.851 -160.186 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 3.6 mm? -64.65 -25.92 68.16 Favored 'General case' 0 CA--C 1.534 0.334 0 C-N-CA 123.243 0.617 . . . . 0.0 111.585 179.059 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 12.5 m -150.16 81.25 6.87 Favored Pre-proline 0 C--O 1.235 0.315 0 O-C-N 121.294 -0.879 . . . . 0.0 111.285 177.643 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 17' ' ' PRO . . . . . 0.518 ' HA ' ' HA ' ' A' ' 27' ' ' CYS . 4.6 Cg_endo -63.01 150.95 87.14 Favored 'Trans proline' 0 N--CA 1.431 -2.188 0 C-N-CA 121.448 1.432 . . . . 0.0 112.541 175.546 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 8.3 t70 -80.47 -60.03 2.47 Favored 'General case' 0 N--CA 1.449 -0.476 0 N-CA-C 106.564 -1.643 . . . . 0.0 106.564 170.95 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 9.0 ptt-85 -160.62 154.55 22.75 Favored 'General case' 0 N--CA 1.442 -0.869 0 C-N-CA 122.371 0.268 . . . . 0.0 110.393 -177.783 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 54.0 t -91.98 108.96 20.31 Favored 'General case' 0 C--N 1.334 -0.101 0 N-CA-C 105.475 -2.046 . . . . 0.0 105.475 152.664 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 3.6 m -162.23 147.86 12.92 Favored 'General case' 0 N--CA 1.452 -0.331 0 N-CA-C 108.436 -0.95 . . . . 0.0 108.436 -167.108 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 75.1 m-85 51.17 39.83 24.5 Favored 'General case' 0 CA--C 1.539 0.521 0 C-N-CA 123.251 0.62 . . . . 0.0 110.346 -171.073 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 56.06 16.45 13.48 Favored Glycine 0 CA--C 1.533 1.172 0 C-N-CA 124.125 0.869 . . . . 0.0 114.224 -176.966 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 77.4 m -121.91 137.22 54.87 Favored 'General case' 0 N--CA 1.452 -0.352 0 C-N-CA 126.569 1.948 . . . . 0.0 107.41 -171.879 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -90.24 91.89 8.7 Favored 'General case' 0 CA--C 1.534 0.362 0 CA-C-O 123.119 1.438 . . . . 0.0 107.207 172.933 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 47.8 m-85 -71.77 129.48 38.75 Favored 'General case' 0 N--CA 1.451 -0.397 0 C-N-CA 124.937 1.295 . . . . 0.0 108.13 176.476 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 27' ' ' CYS . . . . . 0.518 ' HA ' ' HA ' ' A' ' 17' ' ' PRO . 34.4 m -106.61 141.45 37.87 Favored 'General case' 0 C--N 1.343 0.291 0 CA-C-N 118.606 0.639 . . . . 0.0 111.475 173.276 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 1.9 ttpm? -80.68 55.77 2.46 Favored 'General case' 0 N--CA 1.45 -0.445 0 C-N-CA 123.47 0.708 . . . . 0.0 110.747 -168.564 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 7.3 m -138.69 59.36 1.63 Allowed 'General case' 0 CA--C 1.531 0.224 0 C-N-CA 124.947 1.299 . . . . 0.0 107.701 -171.002 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 5.2 t -162.98 -52.25 0.04 OUTLIER 'General case' 0 CA--C 1.532 0.272 0 C-N-CA 123.497 0.719 . . . . 0.0 109.64 -178.132 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 31' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.333 -0.131 0 O-C-N 121.482 -0.762 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 022 nuclear nobuild full ' A' A ' 1' ' ' PCA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.449 -0.486 0 N-CA-C 108.472 -0.936 . . . . 0.0 108.472 . . . . . . . . . 0 0 . 1 . 022 nuclear nobuild full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 15.5 m -97.99 -120.42 0.13 Allowed 'General case' 0 CA--C 1.531 0.236 0 N-CA-C 106.486 -1.672 . . . . 0.0 106.486 169.079 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 78.2 mt-30 -66.45 -31.93 72.98 Favored 'General case' 0 CA--C 1.535 0.376 0 CA-C-N 118.861 0.755 . . . . 0.0 109.268 168.729 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 10.7 p -136.77 164.13 29.0 Favored 'General case' 0 N--CA 1.454 -0.241 0 C-N-CA 126.222 1.809 . . . . 0.0 107.845 168.28 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 2.9 tt0 -97.47 -41.19 8.31 Favored 'General case' 0 N--CA 1.45 -0.464 0 C-N-CA 125.656 1.583 . . . . 0.0 108.833 167.012 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 22.9 m -158.98 155.38 27.46 Favored 'General case' 0 C--O 1.223 -0.307 0 N-CA-C 108.634 -0.876 . . . . 0.0 108.634 -165.675 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 9.4 p -45.43 -36.63 1.93 Allowed 'Isoleucine or valine' 0 CA--C 1.536 0.406 0 N-CA-C 113.473 0.916 . . . . 0.0 113.473 -172.409 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 44.5 ttt85 -47.56 -41.44 21.46 Favored 'General case' 0 CA--C 1.537 0.45 0 C-N-CA 125.016 1.326 . . . . 0.0 113.306 175.586 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 52.1 m-20 -52.61 -52.93 53.05 Favored 'General case' 0 N--CA 1.45 -0.473 0 C-N-CA 124.16 0.984 . . . . 0.0 108.66 173.427 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 10' ' ' CYS . . . . . 0.486 ' HB3' ' CB ' ' A' ' 17' ' ' PRO . 0.1 OUTLIER -63.32 -36.39 83.55 Favored 'General case' 0 N--CA 1.445 -0.688 0 CA-C-O 117.94 -1.029 . . . . 0.0 111.851 175.157 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 45.4 mt-30 -58.04 -34.15 69.75 Favored 'General case' 0 N--CA 1.466 0.345 0 CA-C-N 120.617 1.553 . . . . 0.0 110.728 -179.067 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 32.2 mt-30 -66.55 -45.72 78.44 Favored 'General case' 0 CA--C 1.535 0.399 0 O-C-N 122.155 -0.341 . . . . 0.0 110.364 171.786 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 22.9 t80 -67.24 -40.7 86.36 Favored 'General case' 0 CA--C 1.538 0.501 0 N-CA-C 114.263 1.208 . . . . 0.0 114.263 -174.665 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 13.0 m -137.08 138.89 40.87 Favored 'General case' 0 C--N 1.331 -0.221 0 C-N-CA 127.831 2.452 . . . . 0.0 108.685 -163.573 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -62.22 -46.84 87.06 Favored 'General case' 0 CA--C 1.534 0.352 0 N-CA-C 109.753 -0.462 . . . . 0.0 109.753 177.922 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 18.0 m -124.8 81.49 61.46 Favored Pre-proline 0 C--O 1.235 0.322 0 C-N-CA 123.427 0.691 . . . . 0.0 111.68 -178.457 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 17' ' ' PRO . . . . . 0.526 ' HA ' ' HA ' ' A' ' 27' ' ' CYS . 4.9 Cg_endo -68.05 161.2 45.31 Favored 'Trans proline' 0 N--CA 1.434 -2.022 0 C-N-CA 120.674 0.916 . . . . 0.0 113.356 174.573 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 14.3 t0 -87.97 -62.32 1.52 Allowed 'General case' 0 N--CA 1.448 -0.536 0 N-CA-C 107.224 -1.398 . . . . 0.0 107.224 171.6 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -161.84 156.07 22.16 Favored 'General case' 0 N--CA 1.45 -0.449 0 C-N-CA 123.918 0.887 . . . . 0.0 108.679 -176.064 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 52.8 t -84.39 113.7 21.36 Favored 'General case' 0 N--CA 1.455 -0.204 0 N-CA-C 105.554 -2.017 . . . . 0.0 105.554 146.715 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 2.5 m -159.33 147.14 17.44 Favored 'General case' 0 N--CA 1.449 -0.504 0 N-CA-C 108.665 -0.865 . . . . 0.0 108.665 -171.964 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 10.1 t80 55.48 30.06 14.44 Favored 'General case' 0 CA--C 1.54 0.57 0 C-N-CA 123.217 0.607 . . . . 0.0 111.837 -176.922 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 71.9 6.73 64.43 Favored Glycine 0 CA--C 1.536 1.396 0 CA-C-O 119.296 -0.724 . . . . 0.0 114.034 -178.558 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 23.3 m -120.54 139.03 53.52 Favored 'General case' 0 N--CA 1.454 -0.228 0 C-N-CA 126.596 1.959 . . . . 0.0 109.335 -176.676 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -81.94 92.14 6.69 Favored 'General case' 0 CA--C 1.532 0.267 0 N-CA-C 106.728 -1.582 . . . . 0.0 106.728 168.744 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 41.6 m-85 -69.85 124.68 24.63 Favored 'General case' 0 N--CA 1.449 -0.487 0 N-CA-C 106.908 -1.515 . . . . 0.0 106.908 175.767 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 27' ' ' CYS . . . . . 0.526 ' HA ' ' HA ' ' A' ' 17' ' ' PRO . 57.4 m -94.59 145.83 24.55 Favored 'General case' 0 C--N 1.34 0.174 0 CA-C-N 118.717 0.69 . . . . 0.0 110.031 172.681 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 11.5 ttmm -72.42 -50.67 24.7 Favored 'General case' 0 N--CA 1.448 -0.55 0 N-CA-C 107.086 -1.45 . . . . 0.0 107.086 178.668 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 1.2 m -75.86 48.7 0.49 Allowed 'General case' 0 CA--C 1.541 0.629 0 C-N-CA 124.248 1.019 . . . . 0.0 111.821 176.523 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 87.4 m -75.88 74.11 2.8 Favored 'General case' 0 CA--C 1.532 0.266 0 O-C-N 121.119 -0.988 . . . . 0.0 108.459 172.675 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 31' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.33 -0.239 0 O-C-N 122.013 -0.429 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 023 nuclear nobuild full ' A' A ' 1' ' ' PCA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.428 0 N-CA-C 109.278 -0.638 . . . . 0.0 109.278 . . . . . . . . . 0 0 . 1 . 023 nuclear nobuild full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 28.9 m -144.31 -111.7 0.11 Allowed 'General case' 0 C--N 1.331 -0.214 0 N-CA-C 107.445 -1.317 . . . . 0.0 107.445 174.794 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 82.8 mt-30 -59.06 -41.85 88.91 Favored 'General case' 0 N--CA 1.464 0.231 0 CA-C-N 119.207 0.912 . . . . 0.0 108.966 164.367 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 4' ' ' CYS . . . . . 0.433 ' HB2' ' HB2' ' A' ' 9' ' ' ASP . 13.5 p -138.32 166.47 24.14 Favored 'General case' 0 N--CA 1.446 -0.645 0 C-N-CA 126.907 2.083 . . . . 0.0 108.72 -177.164 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 6.8 tt0 -103.81 -38.76 6.91 Favored 'General case' 0 N--CA 1.451 -0.383 0 C-N-CA 126.955 2.102 . . . . 0.0 109.178 166.884 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 2.6 p -155.78 177.92 10.85 Favored 'General case' 0 CA--C 1.513 -0.458 0 CA-C-O 122.269 1.033 . . . . 0.0 110.685 179.441 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 8.8 p -54.12 -35.58 29.68 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.768 0 CA-C-N 115.419 -0.81 . . . . 0.0 112.051 -176.177 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -41.56 -45.66 3.37 Favored 'General case' 0 CA--C 1.536 0.405 0 C-N-CA 125.353 1.461 . . . . 0.0 112.796 170.204 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 9' ' ' ASP . . . . . 0.433 ' HB2' ' HB2' ' A' ' 4' ' ' CYS . 32.3 m-20 -61.24 -55.89 26.84 Favored 'General case' 0 N--CA 1.448 -0.568 0 N-CA-C 108.241 -1.022 . . . . 0.0 108.241 179.398 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 10' ' ' CYS . . . . . 0.5 ' SG ' ' HB3' ' A' ' 17' ' ' PRO . 0.1 OUTLIER -57.68 -35.76 71.03 Favored 'General case' 0 C--O 1.22 -0.489 0 C-N-CA 119.223 -0.991 . . . . 0.0 112.175 179.195 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 39.8 mt-30 -56.67 -25.22 53.27 Favored 'General case' 0 CA--C 1.536 0.434 0 CA-C-N 119.512 1.051 . . . . 0.0 111.696 179.223 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 34.2 mt-30 -83.52 -44.17 14.97 Favored 'General case' 0 CA--C 1.532 0.273 0 C-N-CA 122.826 0.45 . . . . 0.0 109.918 174.675 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 83.5 m-85 -68.67 -25.28 64.73 Favored 'General case' 0 CA--C 1.544 0.744 0 N-CA-C 113.113 0.782 . . . . 0.0 113.113 -179.563 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 26.5 m -150.74 139.18 20.45 Favored 'General case' 0 N--CA 1.461 0.124 0 C-N-CA 125.89 1.676 . . . . 0.0 109.209 -165.283 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -63.82 -47.38 81.05 Favored 'General case' 0 CA--C 1.535 0.38 0 N-CA-C 109.635 -0.506 . . . . 0.0 109.635 177.088 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 7.2 m -125.64 76.52 69.9 Favored Pre-proline 0 CA--C 1.534 0.328 0 C-N-CA 123.385 0.674 . . . . 0.0 112.169 -174.977 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 17' ' ' PRO . . . . . 0.5 ' HB3' ' SG ' ' A' ' 10' ' ' CYS . 1.7 Cg_endo -65.0 153.68 77.12 Favored 'Trans proline' 0 N--CA 1.435 -1.937 0 C-N-CA 121.328 1.352 . . . . 0.0 113.449 177.757 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 14.0 t0 -88.38 -60.54 1.94 Allowed 'General case' 0 N--CA 1.451 -0.39 0 N-CA-C 106.905 -1.517 . . . . 0.0 106.905 174.594 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 1.9 ptt-85 -158.95 149.89 20.08 Favored 'General case' 0 N--CA 1.45 -0.443 0 C-N-CA 122.99 0.516 . . . . 0.0 109.874 176.613 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 46.5 t -82.1 113.05 19.7 Favored 'General case' 0 C--N 1.332 -0.194 0 N-CA-C 105.633 -1.988 . . . . 0.0 105.633 148.734 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 2.5 m -160.61 143.1 12.9 Favored 'General case' 0 N--CA 1.452 -0.357 0 N-CA-C 108.495 -0.928 . . . . 0.0 108.495 -170.425 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 88.7 m-85 49.72 43.15 24.41 Favored 'General case' 0 CA--C 1.538 0.496 0 C-N-CA 123.46 0.704 . . . . 0.0 111.118 -173.108 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 56.91 16.7 18.96 Favored Glycine 0 CA--C 1.536 1.362 0 C-N-CA 123.954 0.788 . . . . 0.0 113.978 -178.743 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 56.1 m -123.18 133.36 54.25 Favored 'General case' 0 N--CA 1.448 -0.557 0 C-N-CA 126.18 1.792 . . . . 0.0 107.1 -172.818 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 25' ' ' CYS . . . . . . . . . . . . 0.282 0.0 OUTLIER -90.96 88.05 6.86 Favored 'General case' 0 CA--C 1.535 0.39 0 CA-C-O 123.12 1.438 . . . . 0.0 107.67 175.407 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild full ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 56.3 m-85 -65.9 131.87 47.28 Favored 'General case' 0 N--CA 1.453 -0.31 0 C-N-CA 124.893 1.277 . . . . 0.0 108.044 176.677 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 27' ' ' CYS . . . . . 0.481 ' HA ' ' HA ' ' A' ' 17' ' ' PRO . 36.8 m -114.63 135.2 54.4 Favored 'General case' 0 CA--C 1.519 -0.239 0 C-N-CA 123.219 0.608 . . . . 0.0 111.085 178.334 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 7.0 tmtt? -79.05 64.95 4.1 Favored 'General case' 0 N--CA 1.453 -0.294 0 C-N-CA 124.848 1.259 . . . . 0.0 109.3 -167.04 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 37.2 p -124.45 -86.04 0.64 Allowed 'General case' 0 N--CA 1.449 -0.478 0 C-N-CA 125.634 1.574 . . . . 0.0 109.679 -165.151 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 30' ' ' THR . . . . . 0.637 ' HG1' ' N ' ' A' ' 31' ' ' NH2 . 8.9 t -162.76 -168.51 1.81 Allowed 'General case' 0 C--N 1.322 -0.588 0 C-N-CA 126.912 2.085 . . . . 0.0 108.111 178.133 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 31' ' ' NH2 . . . . . 0.637 ' N ' ' HG1' ' A' ' 30' ' ' THR . . . . . . . . 0 C--N 1.33 -0.276 0 O-C-N 122.16 -0.337 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 1' ' ' PCA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.454 0 N-CA-C 109.359 -0.608 . . . . 0.0 109.359 . . . . . . . . . 0 0 . 1 . 024 nuclear nobuild full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 28.1 m -99.28 -113.25 0.17 Allowed 'General case' 0 CA--C 1.53 0.208 0 N-CA-C 106.691 -1.596 . . . . 0.0 106.691 168.921 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 81.7 mt-30 -60.59 -40.02 90.21 Favored 'General case' 0 N--CA 1.462 0.146 0 CA-C-N 119.153 0.888 . . . . 0.0 108.984 160.913 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 12.5 p -140.89 165.24 28.06 Favored 'General case' 0 N--CA 1.445 -0.713 0 C-N-CA 126.203 1.801 . . . . 0.0 108.575 -176.277 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -104.11 -36.98 7.51 Favored 'General case' 0 N--CA 1.448 -0.567 0 C-N-CA 126.738 2.015 . . . . 0.0 109.227 170.383 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 6.1 m -162.66 162.84 27.17 Favored 'General case' 0 C--O 1.222 -0.368 0 C-N-CA 124.044 0.937 . . . . 0.0 109.062 -174.149 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 9.1 p -47.56 -35.44 4.18 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.521 0 N-CA-C 113.692 0.997 . . . . 0.0 113.692 -172.01 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 8.5 mmp_? -36.92 -52.64 0.94 Allowed 'General case' 0 CA--C 1.535 0.367 0 C-N-CA 125.394 1.477 . . . . 0.0 112.793 168.896 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 33.6 m-20 -51.95 -55.77 18.32 Favored 'General case' 0 N--CA 1.447 -0.589 0 C-N-CA 124.858 1.263 . . . . 0.0 108.975 178.704 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 10' ' ' CYS . . . . . 0.462 ' SG ' ' HB3' ' A' ' 17' ' ' PRO . 0.1 OUTLIER -61.36 -37.77 84.56 Favored 'General case' 0 C--O 1.218 -0.587 0 C-N-CA 118.964 -1.094 . . . . 0.0 111.584 177.771 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 87.5 mt-30 -60.53 -33.22 72.33 Favored 'General case' 0 CA--C 1.53 0.196 0 CA-C-N 119.466 1.03 . . . . 0.0 110.441 -178.09 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 27.4 mt-30 -64.38 -43.56 94.11 Favored 'General case' 0 CA--C 1.536 0.433 0 O-C-N 122.072 -0.392 . . . . 0.0 110.428 170.334 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 27.9 m-85 -81.4 -20.91 39.48 Favored 'General case' 0 CA--C 1.542 0.662 0 N-CA-C 115.435 1.643 . . . . 0.0 115.435 -174.942 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 16.8 m -148.15 137.48 22.13 Favored 'General case' 0 C--O 1.225 -0.192 0 C-N-CA 125.547 1.539 . . . . 0.0 108.474 -166.759 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -61.63 -49.36 76.89 Favored 'General case' 0 CA--C 1.533 0.325 0 N-CA-C 109.717 -0.475 . . . . 0.0 109.717 178.756 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 21.8 m -125.36 81.81 63.47 Favored Pre-proline 0 C--O 1.237 0.403 0 C-N-CA 123.482 0.713 . . . . 0.0 111.534 -178.979 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 17' ' ' PRO . . . . . 0.526 ' HA ' ' HA ' ' A' ' 27' ' ' CYS . 3.8 Cg_endo -65.99 157.49 59.1 Favored 'Trans proline' 0 N--CA 1.433 -2.066 0 C-N-CA 121.012 1.142 . . . . 0.0 112.451 173.691 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 31.1 t0 -83.62 -61.4 1.84 Allowed 'General case' 0 N--CA 1.448 -0.538 0 N-CA-C 107.048 -1.464 . . . . 0.0 107.048 167.806 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 1.2 ptt85 -162.1 154.53 19.58 Favored 'General case' 0 N--CA 1.449 -0.496 0 N-CA-C 109.313 -0.625 . . . . 0.0 109.313 -176.306 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 50.4 t -81.28 112.7 18.83 Favored 'General case' 0 N--CA 1.454 -0.272 0 N-CA-C 105.613 -1.995 . . . . 0.0 105.613 145.159 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 2.3 m -156.62 144.13 19.12 Favored 'General case' 0 N--CA 1.45 -0.447 0 O-C-N 121.353 -0.842 . . . . 0.0 109.062 -173.866 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 96.2 m-85 49.33 42.53 22.19 Favored 'General case' 0 CA--C 1.538 0.489 0 C-N-CA 123.44 0.696 . . . . 0.0 110.815 -171.176 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 55.62 17.93 15.05 Favored Glycine 0 CA--C 1.535 1.309 0 C-N-CA 124.109 0.861 . . . . 0.0 114.013 -178.27 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 57.2 m -121.93 133.87 54.85 Favored 'General case' 0 N--CA 1.449 -0.5 0 C-N-CA 126.416 1.886 . . . . 0.0 106.936 -173.572 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 25' ' ' CYS . . . . . . . . . . . . 0.263 0.0 OUTLIER -87.39 92.33 9.04 Favored 'General case' 0 CA--C 1.535 0.396 0 CA-C-O 122.836 1.303 . . . . 0.0 107.623 174.152 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild full ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 50.7 m-85 -70.45 130.02 40.8 Favored 'General case' 0 N--CA 1.452 -0.37 0 C-N-CA 124.713 1.205 . . . . 0.0 108.249 176.876 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 27' ' ' CYS . . . . . 0.526 ' HA ' ' HA ' ' A' ' 17' ' ' PRO . 33.2 m -111.8 141.94 44.79 Favored 'General case' 0 C--N 1.343 0.285 0 C-N-CA 123.275 0.63 . . . . 0.0 111.743 174.477 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 1.6 ttmt -76.29 -18.25 59.06 Favored 'General case' 0 N--CA 1.447 -0.576 0 C-N-CA 122.825 0.45 . . . . 0.0 111.914 -174.32 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 8.4 t -160.17 -154.09 0.37 Allowed 'General case' 0 N--CA 1.441 -0.919 0 N-CA-C 104.347 -2.464 . . . . 0.0 104.347 172.745 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 3.8 m -69.06 71.36 0.24 Allowed 'General case' 0 CA--C 1.536 0.442 0 C-N-CA 126.274 1.83 . . . . 0.0 111.469 -174.299 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 31' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.33 -0.265 0 O-C-N 121.402 -0.811 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 025 nuclear nobuild full ' A' A ' 1' ' ' PCA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.356 0 CA-C-O 121.124 0.488 . . . . 0.0 110.242 . . . . . . . . . 0 0 . 1 . 025 nuclear nobuild full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 15.5 m -144.08 -117.05 0.09 Allowed 'General case' 0 C--N 1.331 -0.237 0 N-CA-C 107.625 -1.25 . . . . 0.0 107.625 171.544 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 80.9 mt-30 -61.24 -29.39 69.81 Favored 'General case' 0 CA--C 1.53 0.197 0 CA-C-N 119.149 0.886 . . . . 0.0 110.305 169.848 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 4.6 p -137.29 153.55 50.28 Favored 'General case' 0 N--CA 1.449 -0.494 0 C-N-CA 125.71 1.604 . . . . 0.0 108.642 178.529 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 8.5 tt0 -78.9 -42.68 26.59 Favored 'General case' 0 N--CA 1.451 -0.404 0 C-N-CA 124.614 1.166 . . . . 0.0 109.611 166.671 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 5.8 m -170.18 174.33 5.43 Favored 'General case' 0 CA--C 1.53 0.187 0 C-N-CA 125.93 1.692 . . . . 0.0 107.109 -172.457 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 9.4 p -51.01 -33.13 12.72 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.53 0 C-N-CA 124.115 0.966 . . . . 0.0 113.092 -176.748 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 81.3 mtt-85 -46.99 -44.03 19.84 Favored 'General case' 0 CA--C 1.533 0.309 0 C-N-CA 123.622 0.769 . . . . 0.0 112.262 171.12 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -62.02 -49.7 75.0 Favored 'General case' 0 N--CA 1.451 -0.395 0 N-CA-C 109.253 -0.647 . . . . 0.0 109.253 -179.856 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 10' ' ' CYS . . . . . 0.474 ' SG ' ' HB3' ' A' ' 17' ' ' PRO . 0.1 OUTLIER -61.15 -34.95 75.84 Favored 'General case' 0 C--O 1.218 -0.573 0 C-N-CA 117.157 -1.817 . . . . 0.0 111.172 176.25 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 40.7 mt-30 -59.98 -39.26 85.09 Favored 'General case' 0 CA--C 1.532 0.288 0 CA-C-N 119.841 1.201 . . . . 0.0 111.306 -178.126 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 18.1 pt20 -68.94 -28.19 66.42 Favored 'General case' 0 N--CA 1.444 -0.748 0 CA-C-N 119.184 0.902 . . . . 0.0 112.071 171.961 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 10.1 t80 -77.59 -36.72 51.65 Favored 'General case' 0 CA--C 1.539 0.539 0 N-CA-C 113.971 1.1 . . . . 0.0 113.971 -179.433 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 7.6 m -141.59 136.48 31.08 Favored 'General case' 0 N--CA 1.462 0.161 0 C-N-CA 127.054 2.141 . . . . 0.0 108.673 -163.271 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -66.61 -23.34 66.16 Favored 'General case' 0 CA--C 1.538 0.484 0 O-C-N 122.25 -0.281 . . . . 0.0 111.502 178.776 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 8.2 m -149.03 80.12 8.12 Favored Pre-proline 0 C--O 1.238 0.477 0 O-C-N 120.991 -1.068 . . . . 0.0 111.507 176.644 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 17' ' ' PRO . . . . . 0.514 ' HA ' ' HA ' ' A' ' 27' ' ' CYS . 6.8 Cg_endo -63.5 162.35 27.94 Favored 'Trans proline' 0 N--CA 1.432 -2.141 0 C-N-CA 122.139 1.892 . . . . 0.0 112.682 174.988 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 25.4 t0 -92.05 -60.69 1.79 Allowed 'General case' 0 N--CA 1.448 -0.566 0 N-CA-C 105.834 -1.913 . . . . 0.0 105.834 172.476 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 1.6 ptt85 -163.53 154.12 15.95 Favored 'General case' 0 N--CA 1.448 -0.552 0 N-CA-C 108.91 -0.774 . . . . 0.0 108.91 -177.999 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 53.3 t -82.23 111.69 18.55 Favored 'General case' 0 N--CA 1.454 -0.247 0 N-CA-C 105.381 -2.081 . . . . 0.0 105.381 146.629 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 2.4 m -156.56 144.32 19.34 Favored 'General case' 0 N--CA 1.449 -0.502 0 N-CA-C 108.686 -0.857 . . . . 0.0 108.686 -172.993 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 35.8 t80 51.22 42.41 28.85 Favored 'General case' 0 CA--C 1.538 0.512 0 CA-C-O 121.572 0.701 . . . . 0.0 110.963 -174.889 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 56.02 17.64 16.9 Favored Glycine 0 CA--C 1.536 1.402 0 C-N-CA 124.317 0.96 . . . . 0.0 114.231 -177.848 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 52.8 m -123.74 131.56 53.62 Favored 'General case' 0 N--CA 1.45 -0.452 0 C-N-CA 126.708 2.003 . . . . 0.0 107.237 -172.764 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 25' ' ' CYS . . . . . . . . . . . . 0.252 0.0 OUTLIER -85.05 90.87 7.95 Favored 'General case' 0 CA--C 1.535 0.385 0 N-CA-C 107.392 -1.336 . . . . 0.0 107.392 172.141 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild full ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 56.7 m-85 -70.6 135.84 48.74 Favored 'General case' 0 N--CA 1.452 -0.336 0 C-N-CA 124.866 1.267 . . . . 0.0 108.344 177.041 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 27' ' ' CYS . . . . . 0.514 ' HA ' ' HA ' ' A' ' 17' ' ' PRO . 13.0 m -121.47 152.15 39.44 Favored 'General case' 0 C--N 1.342 0.265 0 C-N-CA 123.88 0.872 . . . . 0.0 111.545 173.793 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 3.8 ptmm? -130.77 63.09 1.59 Allowed 'General case' 0 C--O 1.234 0.271 0 C-N-CA 123.472 0.709 . . . . 0.0 109.319 -176.852 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 8.0 t -164.65 142.84 6.7 Favored 'General case' 0 N--CA 1.441 -0.889 0 N-CA-C 104.172 -2.529 . . . . 0.0 104.172 176.901 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 30' ' ' THR . . . . . 0.607 ' HG1' ' N ' ' A' ' 31' ' ' NH2 . 10.7 t -167.78 -167.75 0.9 Allowed 'General case' 0 C--N 1.327 -0.397 0 C-N-CA 125.761 1.625 . . . . 0.0 107.3 -179.351 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 31' ' ' NH2 . . . . . 0.607 ' N ' ' HG1' ' A' ' 30' ' ' THR . . . . . . . . 0 C--N 1.329 -0.292 0 CA-C-N 117.687 0.221 . . . . 0.0 . . . . . . . . . . 1 1 . 1 stop_ save_