data_5tcz_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 5tcz _Structure_validation_residue.Date_analyzed 2017-01-13 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' ' ' TYR . . . . . . . . . . . . 0.328 2.5 p90 . . . . . 0 N--CA 1.465 0.286 0 N-CA-C 115.352 1.612 . . . . 0.0 115.352 . . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 2.7 p -154.17 -71.79 0.13 Allowed 'General case' 0 CA--C 1.537 0.474 0 C-N-CA 123.368 0.667 . . . . 0.0 112.489 -171.325 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -61.52 -60.47 3.66 Favored 'General case' 0 N--CA 1.472 0.658 0 CA-C-N 118.801 0.728 . . . . 0.0 111.099 179.945 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 21.1 ttpp -78.87 36.21 0.27 Allowed 'General case' 0 N--CA 1.479 0.998 0 O-C-N 120.979 -1.076 . . . . 0.0 113.579 170.019 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 7' ' ' TRP . . . . . . . . . . . . . 11.9 t90 -144.62 10.51 1.41 Allowed 'General case' 0 CA--C 1.547 0.859 0 C-N-CA 125.445 1.498 . . . . 0.0 111.248 165.526 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 8' ' ' MET . . . . . . . . . . . . 0.253 38.0 mtm 59.29 57.52 3.37 Favored 'General case' 0 CA--C 1.539 0.52 0 C-N-CA 125.783 1.633 . . . . 0.0 114.19 171.641 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 4.9 pt20 -59.46 45.68 0.0 OUTLIER 'General case' 0 CA--C 1.555 1.146 0 C-N-CA 129.722 3.209 . . . . 0.0 119.262 -175.746 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 4.2 m 44.77 58.88 3.67 Favored 'General case' 0 N--CA 1.487 1.395 0 N-CA-C 115.174 1.546 . . . . 0.0 115.174 152.858 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 7.1 t -82.11 140.27 33.92 Favored 'General case' 0 CA--C 1.543 0.704 0 N-CA-C 115.125 1.528 . . . . 0.0 115.125 -158.363 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 62.3 m-20 -138.63 168.72 19.17 Favored 'General case' 0 CA--C 1.55 0.975 0 C-N-CA 129.93 3.292 . . . . 0.0 107.796 -175.577 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 44.0 t -69.92 13.0 0.16 Allowed 'General case' 0 N--CA 1.491 1.605 0 O-C-N 120.107 -1.621 . . . . 0.0 114.427 174.752 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 14.7 pt-20 -131.28 1.28 4.17 Favored 'General case' 0 CA--C 1.539 0.546 0 C-N-CA 127.57 2.348 . . . . 0.0 111.955 -179.142 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -93.25 133.9 35.99 Favored 'General case' 0 C--N 1.344 0.368 0 CA-C-O 122.389 1.09 . . . . 0.0 110.812 -171.565 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 12.2 mptt -75.44 63.91 1.52 Allowed 'General case' 0 CA--C 1.542 0.635 0 C-N-CA 127.887 2.475 . . . . 0.0 111.233 -178.279 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 42.5 t -61.67 107.26 0.79 Allowed 'General case' 0 CA--C 1.534 0.343 0 C-N-CA 126.608 1.963 . . . . 0.0 110.05 -172.073 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 59.0 m -66.89 -15.2 63.49 Favored 'General case' 0 CA--C 1.539 0.541 0 N-CA-C 114.352 1.242 . . . . 0.0 114.352 -161.506 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 70.9 mm-40 -130.03 4.1 4.87 Favored 'General case' 0 CA--C 1.544 0.722 0 N-CA-C 114.115 1.154 . . . . 0.0 114.115 177.371 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 64.76 13.44 56.29 Favored Glycine 0 CA--C 1.539 1.546 0 N-CA-C 116.533 1.373 . . . . 0.0 116.533 178.538 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 14.3 ptp -109.6 124.68 51.56 Favored 'General case' 0 N--CA 1.469 0.496 0 C-N-CA 125.956 1.702 . . . . 0.0 112.561 -170.01 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 2.9 t 49.65 70.69 0.11 Allowed 'Isoleucine or valine' 0 N--CA 1.471 0.621 0 C-N-CA 125.895 1.678 . . . . 0.0 114.71 173.832 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 35.2 t -72.93 58.11 0.46 Allowed 'General case' 0 CA--C 1.548 0.899 0 C-N-CA 124.241 1.016 . . . . 0.0 111.998 172.772 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 5.7 mpt_? -125.15 109.74 13.25 Favored 'General case' 0 N--CA 1.47 0.547 0 C-N-CA 126.446 1.899 . . . . 0.0 109.281 174.247 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 4.7 mp 57.81 -19.32 0.02 OUTLIER 'General case' 0 N--CA 1.478 0.949 0 C-N-CA 127.911 2.484 . . . . 0.0 116.724 -172.224 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 26' ' ' TRP . . . . . . . . . . . . . 0.1 OUTLIER -159.82 -159.81 0.76 Allowed 'General case' 0 CA--C 1.544 0.727 0 C-N-CA 128.846 2.858 . . . . 0.0 110.359 -177.86 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 96.5 m -131.51 123.98 29.16 Favored 'General case' 0 N--CA 1.469 0.522 0 C-N-CA 124.362 1.065 . . . . 0.0 109.098 161.116 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 8.0 mmmm -151.67 155.87 39.23 Favored 'General case' 0 N--CA 1.48 1.063 0 C-N-CA 127.551 2.34 . . . . 0.0 109.277 -170.123 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 25.2 ttpt -79.42 135.75 36.77 Favored 'General case' 0 N--CA 1.479 1.018 0 O-C-N 120.174 -1.578 . . . . 0.0 112.827 -176.892 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 16.7 ttmm -146.78 96.32 2.73 Favored 'General case' 0 N--CA 1.48 1.068 0 C-N-CA 126.719 2.007 . . . . 0.0 108.507 165.057 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 5.8 tt . . . . . 0 N--CA 1.472 0.659 0 C-N-CA 124.465 1.106 . . . . 0.0 112.933 -167.455 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 47.3 m-85 . . . . . 0 CA--C 1.537 0.444 0 N-CA-C 116.406 2.002 . . . . 0.0 116.406 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 1.2 p -153.78 -22.01 0.14 Allowed 'General case' 0 CA--C 1.546 0.802 0 N-CA-C 116.17 1.915 . . . . 0.0 116.17 -175.267 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -93.6 -34.68 13.22 Favored 'General case' 0 CA--C 1.537 0.468 0 C-N-CA 125.3 1.44 . . . . 0.0 110.379 164.674 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 43.6 tttm -82.8 -3.31 56.51 Favored 'General case' 0 CA--C 1.546 0.794 0 C-N-CA 124.754 1.222 . . . . 0.0 113.671 175.057 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 7' ' ' TRP . . . . . . . . . . . . . 41.8 t-105 -155.57 149.12 25.05 Favored 'General case' 0 N--CA 1.474 0.746 0 C-N-CA 126.209 1.804 . . . . 0.0 110.197 -163.724 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 33.4 mtp -71.97 88.14 1.05 Allowed 'General case' 0 N--CA 1.474 0.774 0 N-CA-C 113.587 0.958 . . . . 0.0 113.587 -178.515 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 7.7 pt20 -70.77 -4.57 24.58 Favored 'General case' 0 N--CA 1.474 0.753 0 N-CA-C 115.558 1.688 . . . . 0.0 115.558 179.735 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 2.9 m 50.46 66.88 1.03 Allowed 'General case' 0 N--CA 1.477 0.879 0 C-N-CA 125.253 1.421 . . . . 0.0 111.406 -166.1 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 2.0 t -69.75 81.6 0.44 Allowed 'General case' 0 CA--C 1.541 0.612 0 C-N-CA 124.96 1.304 . . . . 0.0 111.502 -178.959 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 14.2 m-20 -70.28 145.56 51.2 Favored 'General case' 0 CA--C 1.536 0.441 0 C-N-CA 125.629 1.572 . . . . 0.0 113.878 157.02 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 21.2 t -72.93 19.17 0.09 Allowed 'General case' 0 N--CA 1.482 1.141 0 N-CA-C 115.857 1.799 . . . . 0.0 115.857 -172.118 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 15.9 pt-20 -105.34 -6.58 19.49 Favored 'General case' 0 N--CA 1.475 0.781 0 C-N-CA 125.986 1.714 . . . . 0.0 112.633 164.564 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 8.3 ttt180 -95.74 152.12 18.76 Favored 'General case' 0 N--CA 1.466 0.343 0 C-N-CA 125.09 1.356 . . . . 0.0 112.863 -165.835 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 4.8 ptpp? -64.23 93.01 0.09 Allowed 'General case' 0 CA--C 1.538 0.485 0 C-N-CA 125.194 1.397 . . . . 0.0 110.879 158.519 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 10.5 t -56.93 135.16 56.04 Favored 'General case' 0 CA--C 1.532 0.262 0 C-N-CA 124.007 0.923 . . . . 0.0 109.634 163.64 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 0.9 OUTLIER -50.52 -49.29 56.09 Favored 'General case' 0 CA--C 1.54 0.567 0 N-CA-C 115.78 1.77 . . . . 0.0 115.78 -164.882 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 15.1 mm-40 -107.48 -10.6 15.68 Favored 'General case' 0 N--CA 1.479 0.977 0 C-N-CA 123.61 0.764 . . . . 0.0 112.803 177.061 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 95.04 20.29 28.56 Favored Glycine 0 CA--C 1.535 1.341 0 C-N-CA 125.213 1.387 . . . . 0.0 116.041 -174.932 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -76.75 179.87 5.8 Favored 'General case' 0 CA--C 1.547 0.855 0 CA-C-N 119.005 1.403 . . . . 0.0 113.01 168.214 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -65.93 114.78 3.36 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.76 0 CA-C-O 122.351 1.072 . . . . 0.0 109.275 -179.094 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 41.8 t -76.21 117.88 18.36 Favored 'General case' 0 CA--C 1.544 0.729 0 C-N-CA 127.314 2.245 . . . . 0.0 111.832 -175.572 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . 0.402 ' C ' ' H ' ' A' ' 26' ' ' TRP . 2.6 mpt_? -147.15 82.64 1.55 Allowed 'General case' 0 N--CA 1.489 1.478 0 C-N-CA 125.03 1.332 . . . . 0.0 112.063 174.792 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 78.8 mt 59.71 -14.11 0.03 OUTLIER 'General case' 0 N--CA 1.484 1.264 0 C-N-CA 126.723 2.009 . . . . 0.0 115.76 -172.297 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 26' ' ' TRP . . . . . 0.402 ' H ' ' C ' ' A' ' 24' ' ' ARG . 1.8 p-90 -151.31 175.9 11.77 Favored 'General case' 0 C--N 1.322 -0.619 0 C-N-CA 127.959 2.504 . . . . 0.0 110.226 170.875 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 29.5 m -120.98 42.42 3.05 Favored 'General case' 0 CA--C 1.541 0.599 0 C-N-CA 124.217 1.007 . . . . 0.0 110.308 160.817 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 62.2 tttm -44.1 -57.99 3.09 Favored 'General case' 0 N--CA 1.473 0.705 0 C-N-CA 129.967 3.307 . . . . 0.0 113.322 -168.526 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 4.6 ttmm -166.77 149.96 6.76 Favored 'General case' 0 N--CA 1.474 0.74 0 C-N-CA 125.063 1.345 . . . . 0.0 109.861 139.078 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 2.4 tmtp? -158.31 69.99 0.53 Allowed 'General case' 0 N--CA 1.479 1.007 0 C-N-CA 124.6 1.16 . . . . 0.0 110.504 166.951 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 3.3 tm? . . . . . 0 N--CA 1.466 0.358 0 C-N-CA 124.334 1.053 . . . . 0.0 109.198 171.05 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 96.9 m-85 . . . . . 0 CA--C 1.537 0.46 0 N-CA-C 110.402 -0.222 . . . . 0.0 110.402 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 4' ' ' CYS . . . . . . . . . . . . 0.257 0.7 OUTLIER -124.3 -64.06 1.15 Allowed 'General case' 0 CA--C 1.539 0.524 0 N-CA-C 113.132 0.79 . . . . 0.0 113.132 175.001 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -59.56 -54.03 51.25 Favored 'General case' 0 N--CA 1.47 0.553 0 C-N-CA 123.765 0.826 . . . . 0.0 111.433 175.267 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 29.2 tttm -72.23 7.94 1.53 Allowed 'General case' 0 N--CA 1.472 0.649 0 C-N-CA 125.359 1.464 . . . . 0.0 113.931 178.061 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 7' ' ' TRP . . . . . . . . . . . . . 60.9 t-105 -126.13 -4.21 6.85 Favored 'General case' 0 N--CA 1.469 0.517 0 C-N-CA 125.658 1.583 . . . . 0.0 113.313 -171.655 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 59.3 mtm 57.25 56.59 5.04 Favored 'General case' 0 N--CA 1.473 0.685 0 O-C-N 121.507 -0.746 . . . . 0.0 112.462 -174.123 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 6.3 pt20 -58.63 33.85 0.01 OUTLIER 'General case' 0 CA--C 1.553 1.062 0 C-N-CA 129.459 3.104 . . . . 0.0 118.291 -177.393 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER 52.21 54.39 10.84 Favored 'General case' 0 N--CA 1.475 0.814 0 C-N-CA 125.176 1.39 . . . . 0.0 111.947 170.957 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -75.82 68.48 2.37 Favored 'General case' 0 CA--C 1.543 0.698 0 C-N-CA 126.642 1.977 . . . . 0.0 113.089 -160.903 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 21.5 m-20 -65.02 176.96 1.08 Allowed 'General case' 0 CA--C 1.544 0.723 0 C-N-CA 128.724 2.809 . . . . 0.0 117.285 173.86 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 37.1 t -60.09 -29.11 68.36 Favored 'General case' 0 N--CA 1.478 0.942 0 N-CA-C 114.51 1.3 . . . . 0.0 114.51 -177.901 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 6.9 tp10 -78.82 -26.33 44.22 Favored 'General case' 0 CA--C 1.542 0.642 0 CA-C-N 120.407 1.458 . . . . 0.0 112.536 173.519 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -85.56 107.98 17.74 Favored 'General case' 0 N--CA 1.463 0.207 0 CA-C-O 121.617 0.722 . . . . 0.0 112.003 -136.12 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 18.0 ptmt -40.43 100.87 0.02 OUTLIER 'General case' 0 N--CA 1.471 0.612 0 C-N-CA 127.808 2.443 . . . . 0.0 113.617 172.245 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 28.2 t -72.05 130.62 41.35 Favored 'General case' 0 CA--C 1.534 0.358 0 O-C-N 121.371 -0.831 . . . . 0.0 110.59 173.66 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -36.06 -51.03 0.73 Allowed 'General case' 0 CA--C 1.545 0.776 0 C-N-CA 128.777 2.831 . . . . 0.0 113.596 176.883 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 3.1 mm-40 -113.36 -1.5 14.21 Favored 'General case' 0 N--CA 1.474 0.77 0 C-N-CA 125.502 1.521 . . . . 0.0 113.054 -178.377 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 71.4 23.2 78.33 Favored Glycine 0 CA--C 1.535 1.334 0 O-C-N 120.497 -1.377 . . . . 0.0 115.997 -174.459 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 30.6 mmt -70.31 -177.13 1.35 Allowed 'General case' 0 N--CA 1.475 0.802 0 CA-C-N 119.387 1.594 . . . . 0.0 111.082 171.067 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 65.3 t -52.45 114.12 0.43 Allowed 'Isoleucine or valine' 0 N--CA 1.472 0.645 0 C-N-CA 125.144 1.377 . . . . 0.0 110.526 170.099 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 40.7 t -109.83 110.96 22.11 Favored 'General case' 0 C--O 1.237 0.396 0 C-N-CA 125.604 1.561 . . . . 0.0 109.357 -176.574 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 2.0 mpt_? -156.31 95.21 1.57 Allowed 'General case' 0 N--CA 1.481 1.085 0 C-N-CA 127.268 2.227 . . . . 0.0 109.411 171.996 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 18.9 mt 66.6 -32.66 0.18 Allowed 'General case' 0 N--CA 1.486 1.355 0 C-N-CA 126.832 2.053 . . . . 0.0 114.827 -171.656 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 26' ' ' TRP . . . . . . . . . . . . . 10.0 p-90 -140.02 174.42 10.53 Favored 'General case' 0 CA--C 1.538 0.506 0 C-N-CA 127.594 2.358 . . . . 0.0 111.769 170.827 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 8.9 t -153.23 80.0 1.18 Allowed 'General case' 0 CA--C 1.545 0.786 0 C-N-CA 123.793 0.837 . . . . 0.0 111.397 -178.191 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 1.2 mptm? -80.17 -84.62 0.09 Allowed 'General case' 0 N--CA 1.481 1.111 0 C-N-CA 124.38 1.072 . . . . 0.0 113.759 -171.705 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -162.45 137.04 6.7 Favored 'General case' 0 N--CA 1.472 0.666 0 C-N-CA 125.034 1.333 . . . . 0.0 109.941 177.831 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 4.6 tptt -163.85 44.47 0.11 Allowed 'General case' 0 N--CA 1.472 0.666 0 C-N-CA 124.644 1.178 . . . . 0.0 111.978 -179.564 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 24.8 tp . . . . . 0 N--CA 1.47 0.57 0 C-N-CA 124.384 1.074 . . . . 0.0 111.29 178.427 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 3' ' ' TYR . . . . . . . . . . . . 0.407 0.9 OUTLIER . . . . . 0 N--CA 1.463 0.179 0 N-CA-C 115.02 1.489 . . . . 0.0 115.02 . . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -130.13 -58.87 1.06 Allowed 'General case' 0 CA--C 1.535 0.385 0 N-CA-C 113.526 0.935 . . . . 0.0 113.526 -170.882 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -64.26 -24.08 67.53 Favored 'General case' 0 CA--C 1.546 0.812 0 C-N-CA 125.503 1.521 . . . . 0.0 112.2 165.698 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 13.4 mmtt -77.96 -14.55 59.49 Favored 'General case' 0 CA--C 1.538 0.518 0 C-N-CA 127.465 2.306 . . . . 0.0 115.855 168.346 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 7' ' ' TRP . . . . . . . . . . . . . 26.7 t-105 -155.37 35.57 0.37 Allowed 'General case' 0 N--CA 1.477 0.91 0 CA-C-N 120.523 1.51 . . . . 0.0 114.992 -164.228 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 76.2 mtm 48.03 57.28 6.24 Favored 'General case' 0 CA--C 1.545 0.781 0 N-CA-C 115.048 1.499 . . . . 0.0 115.048 168.573 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 14.8 pt20 -60.04 8.22 0.02 OUTLIER 'General case' 0 N--CA 1.48 1.028 0 N-CA-C 118.971 2.952 . . . . 0.0 118.971 -161.352 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 9.8 m 56.36 74.22 0.41 Allowed 'General case' 0 N--CA 1.473 0.713 0 CA-C-N 120.172 1.351 . . . . 0.0 111.15 -161.528 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -76.16 72.33 2.95 Favored 'General case' 0 CA--C 1.538 0.499 0 O-C-N 121.303 -0.873 . . . . 0.0 111.644 172.426 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 72.3 m-20 -58.19 162.44 3.52 Favored 'General case' 0 CA--C 1.54 0.59 0 CA-C-N 114.968 -1.015 . . . . 0.0 110.892 153.264 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 5.4 t -56.59 -33.0 65.77 Favored 'General case' 0 N--CA 1.477 0.881 0 O-C-N 120.868 -1.145 . . . . 0.0 113.826 173.524 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 92.1 mt-10 -79.55 -4.78 52.97 Favored 'General case' 0 CA--C 1.546 0.809 0 N-CA-C 113.952 1.093 . . . . 0.0 113.952 175.86 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -82.24 132.78 35.23 Favored 'General case' 0 N--CA 1.469 0.482 0 O-C-N 120.327 -1.483 . . . . 0.0 111.472 -177.183 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 22.3 mtpp -70.92 94.26 1.05 Allowed 'General case' 0 N--CA 1.467 0.419 0 C-N-CA 124.327 1.051 . . . . 0.0 110.997 166.583 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 52.9 t -61.34 126.34 26.99 Favored 'General case' 0 CA--C 1.534 0.351 0 C-N-CA 123.342 0.657 . . . . 0.0 110.418 179.939 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -40.15 -50.7 2.67 Favored 'General case' 0 N--CA 1.471 0.59 0 C-N-CA 126.238 1.815 . . . . 0.0 113.962 -169.621 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -127.46 15.13 7.13 Favored 'General case' 0 CA--C 1.553 1.072 0 C-N-CA 125.303 1.441 . . . . 0.0 112.007 175.79 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 70.04 -12.4 1.69 Allowed Glycine 0 CA--C 1.543 1.807 0 O-C-N 119.838 -1.788 . . . . 0.0 116.836 -170.39 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 21' ' ' MET . . . . . 0.463 ' SD ' ' HA ' ' A' ' 29' ' ' LYS . 8.3 ptp -67.46 107.82 2.59 Favored 'General case' 0 CA--C 1.544 0.719 0 O-C-N 120.549 -1.56 . . . . 0.0 114.363 178.197 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . 0.311 1.0 OUTLIER 68.62 48.0 0.11 Allowed 'Isoleucine or valine' 0 N--CA 1.479 1.025 0 N-CA-C 118.113 2.635 . . . . 0.0 118.113 171.156 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 49.9 t -69.18 84.78 0.36 Allowed 'General case' 0 N--CA 1.477 0.88 0 CA-C-N 120.422 1.464 . . . . 0.0 113.537 -179.579 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -145.04 87.69 1.84 Allowed 'General case' 0 N--CA 1.478 0.964 0 C-N-CA 126.668 1.987 . . . . 0.0 110.096 175.384 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 44.1 mt 62.72 -18.45 0.05 OUTLIER 'General case' 0 N--CA 1.482 1.152 0 C-N-CA 126.655 1.982 . . . . 0.0 115.465 -167.624 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 26' ' ' TRP . . . . . . . . . . . . . 3.4 p-90 -151.28 -166.55 2.56 Favored 'General case' 0 C--N 1.326 -0.452 0 C-N-CA 126.294 1.838 . . . . 0.0 110.975 172.821 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 94.7 m -142.0 136.77 30.61 Favored 'General case' 0 CA--C 1.539 0.532 0 C-N-CA 125.547 1.539 . . . . 0.0 108.378 173.667 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 3.6 tmtm? -120.16 -97.14 0.46 Allowed 'General case' 0 N--CA 1.482 1.164 0 C-N-CA 124.086 0.954 . . . . 0.0 112.145 -168.731 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . 0.463 ' HA ' ' SD ' ' A' ' 21' ' ' MET . 39.9 tttm -164.64 131.55 3.06 Favored 'General case' 0 N--CA 1.477 0.917 0 C-N-CA 125.902 1.681 . . . . 0.0 109.724 176.588 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -155.26 32.45 0.38 Allowed 'General case' 0 N--CA 1.483 1.201 0 N-CA-C 116.662 2.097 . . . . 0.0 116.662 -166.896 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 4.2 mm? . . . . . 0 N--CA 1.467 0.402 0 C-N-CA 125.302 1.441 . . . . 0.0 109.613 166.396 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 3' ' ' TYR . . . . . . . . . . . . 0.388 71.3 m-85 . . . . . 0 N--CA 1.468 0.468 0 N-CA-C 117.653 2.464 . . . . 0.0 117.653 . . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 0.9 OUTLIER -128.77 -54.39 1.23 Allowed 'General case' 0 CA--C 1.548 0.88 0 N-CA-C 116.168 1.914 . . . . 0.0 116.168 -162.835 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -63.1 -27.79 69.63 Favored 'General case' 0 N--CA 1.479 0.991 0 O-C-N 120.239 -1.538 . . . . 0.0 113.095 178.943 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 75.3 tttt -76.46 -18.59 58.7 Favored 'General case' 0 CA--C 1.542 0.67 0 C-N-CA 124.058 0.943 . . . . 0.0 113.42 173.576 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 7' ' ' TRP . . . . . . . . . . . . . 8.4 t-105 -152.05 52.42 0.8 Allowed 'General case' 0 CA--C 1.556 1.188 0 CA-C-N 119.643 1.11 . . . . 0.0 113.433 -144.354 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 62.3 mtt 50.56 45.51 26.59 Favored 'General case' 0 N--CA 1.49 1.571 0 N-CA-C 116.298 1.962 . . . . 0.0 116.298 161.093 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -70.72 24.96 0.04 OUTLIER 'General case' 0 CA--C 1.549 0.94 0 N-CA-C 119.927 3.306 . . . . 0.0 119.927 -160.164 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 16.4 m 44.55 57.13 4.63 Favored 'General case' 0 N--CA 1.48 1.049 0 C-N-CA 124.961 1.304 . . . . 0.0 113.474 174.195 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 5.2 t -75.86 80.61 2.77 Favored 'General case' 0 CA--C 1.54 0.575 0 C-N-CA 125.457 1.503 . . . . 0.0 112.341 -173.986 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 52.5 m-20 -66.63 166.1 13.52 Favored 'General case' 0 CA--C 1.543 0.689 0 N-CA-C 116.1 1.889 . . . . 0.0 116.1 164.469 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 26.8 t -59.16 -33.65 71.16 Favored 'General case' 0 N--CA 1.477 0.894 0 N-CA-C 115.232 1.567 . . . . 0.0 115.232 -177.816 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 25.4 mm-40 -74.45 -23.38 58.9 Favored 'General case' 0 N--CA 1.477 0.902 0 O-C-N 120.627 -1.296 . . . . 0.0 114.276 170.735 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -92.24 134.87 34.48 Favored 'General case' 0 N--CA 1.463 0.188 0 C-N-CA 123.789 0.835 . . . . 0.0 111.958 -149.669 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 20.6 ptmt -63.69 129.09 38.7 Favored 'General case' 0 N--CA 1.468 0.463 0 C-N-CA 123.725 0.81 . . . . 0.0 111.287 -177.946 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 48.0 t -95.52 124.93 39.79 Favored 'General case' 0 CA--C 1.533 0.323 0 C-N-CA 123.794 0.838 . . . . 0.0 109.811 178.141 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -48.38 -56.04 9.2 Favored 'General case' 0 CA--C 1.539 0.527 0 N-CA-C 114.919 1.452 . . . . 0.0 114.919 -156.368 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 1.7 mm-40 -111.47 27.72 9.41 Favored 'General case' 0 N--CA 1.478 0.927 0 C-N-CA 124.955 1.302 . . . . 0.0 110.592 174.262 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 61.68 31.01 76.43 Favored Glycine 0 CA--C 1.535 1.329 0 O-C-N 120.039 -1.663 . . . . 0.0 113.328 -170.692 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 19.0 mmt -80.64 -157.27 0.15 Allowed 'General case' 0 CA--C 1.547 0.844 0 C-N-CA 126.152 1.781 . . . . 0.0 113.231 -173.374 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 2.5 t -71.24 74.49 0.17 Allowed 'Isoleucine or valine' 0 CA--C 1.54 0.586 0 C-N-CA 126.443 1.897 . . . . 0.0 114.866 -176.489 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 41.9 t -66.05 91.37 0.15 Allowed 'General case' 0 CA--C 1.549 0.916 0 N-CA-C 114.184 1.179 . . . . 0.0 114.184 -176.689 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 2.6 mpt_? -148.9 87.07 1.53 Allowed 'General case' 0 N--CA 1.483 1.197 0 C-N-CA 126.889 2.076 . . . . 0.0 109.499 165.52 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 77.7 mt 59.97 -67.89 0.04 OUTLIER 'General case' 0 N--CA 1.479 1.011 0 C-N-CA 126.252 1.821 . . . . 0.0 112.896 -161.449 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 26' ' ' TRP . . . . . . . . . . . . . 0.5 OUTLIER -70.8 169.94 13.56 Favored 'General case' 0 CA--C 1.54 0.56 0 O-C-N 120.601 -1.312 . . . . 0.0 113.444 167.391 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 17.0 m -134.54 50.4 2.18 Favored 'General case' 0 N--CA 1.467 0.408 0 C-N-CA 126.635 1.974 . . . . 0.0 109.175 164.466 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 27.9 pttt -57.83 146.52 31.43 Favored 'General case' 0 N--CA 1.469 0.479 0 C-N-CA 125.72 1.608 . . . . 0.0 111.745 -179.54 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 40.9 mtpt -56.05 112.84 1.31 Allowed 'General case' 0 N--CA 1.469 0.494 0 C-N-CA 124.226 1.01 . . . . 0.0 112.279 177.076 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 10.1 tmtt? -154.47 82.78 1.11 Allowed 'General case' 0 N--CA 1.474 0.743 0 C-N-CA 125.439 1.496 . . . . 0.0 109.104 165.16 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 7.0 tt . . . . . 0 C--N 1.329 -0.283 0 C-N-CA 124.82 1.248 . . . . 0.0 109.862 175.495 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 3' ' ' TYR . . . . . . . . . . . . 0.458 45.6 m-85 . . . . . 0 N--CA 1.465 0.301 0 N-CA-C 118.103 2.631 . . . . 0.0 118.103 . . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -128.16 -72.11 0.63 Allowed 'General case' 0 CA--C 1.536 0.423 0 C-N-CA 124.109 0.964 . . . . 0.0 111.717 179.471 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -54.43 -44.83 72.8 Favored 'General case' 0 N--CA 1.474 0.766 0 O-C-N 121.102 -0.999 . . . . 0.0 111.974 179.375 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 45.7 tttm -62.95 -16.14 58.27 Favored 'General case' 0 CA--C 1.544 0.714 0 N-CA-C 115.16 1.541 . . . . 0.0 115.16 -179.489 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 7' ' ' TRP . . . . . . . . . . . . . 17.1 t90 -141.31 9.2 2.06 Favored 'General case' 0 CA--C 1.547 0.852 0 N-CA-C 113.66 0.985 . . . . 0.0 113.66 -160.506 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 8' ' ' MET . . . . . . . . . . . . 0.276 86.7 mtp 67.14 -15.33 0.16 Allowed 'General case' 0 N--CA 1.481 1.087 0 N-CA-C 117.992 2.59 . . . . 0.0 117.992 167.395 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 9' ' ' GLN . . . . . 0.407 ' OE1' ' SG ' ' A' ' 17' ' ' CYS . 0.0 OUTLIER 57.17 -6.69 0.03 OUTLIER 'General case' 0 N--CA 1.486 1.36 1 N-CA-C 122.854 4.39 . . . . 0.0 122.854 132.739 . . . . . . . . 4 4 . 1 . 006 nuclear orig core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER 54.5 66.62 1.18 Allowed 'General case' 0 N--CA 1.478 0.927 0 CA-C-N 120.361 1.437 . . . . 0.0 111.596 -175.712 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 51.7 t -73.15 53.65 0.38 Allowed 'General case' 0 CA--C 1.55 0.973 0 O-C-N 119.916 -1.74 . . . . 0.0 114.289 -179.502 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 70.5 m-20 -56.36 165.74 1.01 Allowed 'General case' 0 CA--C 1.539 0.532 0 N-CA-C 115.611 1.708 . . . . 0.0 115.611 167.96 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 16.0 t -60.51 -13.78 15.85 Favored 'General case' 0 CA--C 1.542 0.67 0 C-N-CA 125.513 1.525 . . . . 0.0 114.219 -178.888 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 91.2 mt-10 -109.21 3.69 22.04 Favored 'General case' 0 N--CA 1.476 0.856 0 C-N-CA 125.822 1.649 . . . . 0.0 113.444 179.414 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 2.0 mmt85 -103.57 149.77 24.57 Favored 'General case' 0 N--CA 1.472 0.649 0 C-N-CA 126.571 1.949 . . . . 0.0 112.429 -175.528 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 10.4 pttm -60.14 163.53 4.8 Favored 'General case' 0 N--CA 1.474 0.755 0 CA-C-O 121.673 0.749 . . . . 0.0 110.186 160.541 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 17' ' ' CYS . . . . . 0.407 ' SG ' ' OE1' ' A' ' 9' ' ' GLN . 0.6 OUTLIER -139.69 29.91 2.11 Favored 'General case' 0 CA--C 1.543 0.693 0 N-CA-C 115.693 1.738 . . . . 0.0 115.693 175.125 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 1.8 m 60.23 -78.07 0.02 OUTLIER 'General case' 0 N--CA 1.469 0.516 0 C-N-CA 128.186 2.594 . . . . 0.0 113.65 -175.243 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -104.69 -175.12 2.7 Favored 'General case' 0 CA--C 1.551 1.002 0 C-N-CA 125.359 1.464 . . . . 0.0 111.854 177.571 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -80.55 1.64 81.59 Favored Glycine 0 CA--C 1.538 1.491 0 O-C-N 120.706 -1.246 . . . . 0.0 114.435 169.966 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 38.8 mmt -53.22 157.89 1.76 Allowed 'General case' 0 N--CA 1.466 0.366 0 C-N-CA 126.421 1.888 . . . . 0.0 113.863 178.506 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 30.1 t -45.95 119.85 0.53 Allowed 'Isoleucine or valine' 0 N--CA 1.471 0.617 0 C-N-CA 124.923 1.289 . . . . 0.0 112.026 -178.493 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 23' ' ' CYS . . . . . 0.4 ' HB2' ' SG ' ' A' ' 27' ' ' CYS . 43.9 t -106.09 109.21 21.08 Favored 'General case' 0 CA--C 1.538 0.498 0 C-N-CA 123.243 0.617 . . . . 0.0 111.687 171.596 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 1.8 mpt_? -140.44 108.25 5.67 Favored 'General case' 0 N--CA 1.471 0.621 0 C-N-CA 125.107 1.363 . . . . 0.0 108.845 157.805 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 3.9 mp 61.07 -38.57 0.1 Allowed 'General case' 0 N--CA 1.483 1.192 0 C-N-CA 127.478 2.311 . . . . 0.0 115.595 -161.688 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 26' ' ' TRP . . . . . . . . . . . . . 2.4 p-90 -115.68 -161.2 0.78 Allowed 'General case' 0 N--CA 1.471 0.619 0 C-N-CA 126.218 1.807 . . . . 0.0 113.752 -176.294 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 27' ' ' CYS . . . . . 0.4 ' SG ' ' HB2' ' A' ' 23' ' ' CYS . 1.4 m -135.53 134.93 39.97 Favored 'General case' 0 C--N 1.328 -0.363 0 O-C-N 118.798 -2.439 . . . . 0.0 107.863 141.965 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 67.2 mmtt -148.01 148.32 30.59 Favored 'General case' 0 N--CA 1.472 0.647 0 C-N-CA 124.026 0.931 . . . . 0.0 112.366 -174.43 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 35.3 mttt -76.24 104.58 6.83 Favored 'General case' 0 N--CA 1.467 0.387 0 N-CA-C 113.397 0.888 . . . . 0.0 113.397 -160.437 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 31.1 tttt -148.96 108.86 4.05 Favored 'General case' 0 N--CA 1.468 0.475 0 C-N-CA 126.529 1.932 . . . . 0.0 108.302 167.206 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 6.3 tp . . . . . 0 N--CA 1.474 0.773 0 C-N-CA 124.489 1.116 . . . . 0.0 112.067 179.612 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 86.5 m-85 . . . . . 0 CA--C 1.539 0.531 0 CA-C-O 118.339 -0.839 . . . . 0.0 110.563 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 0.9 OUTLIER -146.98 -51.87 0.21 Allowed 'General case' 0 CA--C 1.539 0.522 0 CA-C-N 120.927 1.694 . . . . 0.0 114.29 175.103 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 1.7 pm0 -66.81 -29.82 69.86 Favored 'General case' 0 CA--C 1.536 0.424 0 C-N-CA 125.832 1.653 . . . . 0.0 112.296 167.954 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 75.4 tttt -103.57 9.51 37.42 Favored 'General case' 0 CA--C 1.542 0.641 0 C-N-CA 126.856 2.062 . . . . 0.0 112.519 177.675 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 7' ' ' TRP . . . . . . . . . . . . . 1.1 t-105 -141.91 3.74 1.63 Allowed 'General case' 0 N--CA 1.479 0.979 0 C-N-CA 124.486 1.114 . . . . 0.0 112.425 -170.861 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 56.8 mtt 57.18 57.65 4.39 Favored 'General case' 0 CA--C 1.542 0.671 0 C-N-CA 126.773 2.029 . . . . 0.0 115.401 169.922 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -65.72 38.03 0.02 OUTLIER 'General case' 0 CA--C 1.56 1.358 0 N-CA-C 117.989 2.589 . . . . 0.0 117.989 -174.395 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 14.3 m 46.23 57.92 4.91 Favored 'General case' 0 N--CA 1.492 1.654 0 CA-C-N 121.107 1.776 . . . . 0.0 113.056 171.806 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 1.5 t -77.9 87.06 4.1 Favored 'General case' 0 CA--C 1.54 0.565 0 C-N-CA 123.968 0.907 . . . . 0.0 111.891 -166.568 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 12.8 m-20 -107.13 -169.86 1.61 Allowed 'General case' 0 CA--C 1.547 0.84 0 C-N-CA 127.374 2.269 . . . . 0.0 109.779 -178.858 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 45.0 t -50.7 -42.09 56.66 Favored 'General case' 0 N--CA 1.479 1.023 0 N-CA-C 114.608 1.336 . . . . 0.0 114.608 177.915 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 77.8 mm-40 -92.08 -7.26 49.18 Favored 'General case' 0 N--CA 1.469 0.508 0 N-CA-C 114.708 1.373 . . . . 0.0 114.708 -175.067 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 4.9 mmt85 -86.56 149.33 25.02 Favored 'General case' 0 N--CA 1.473 0.713 0 CA-C-N 119.805 1.184 . . . . 0.0 112.679 -177.132 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 58.3 mttp -98.27 106.02 18.24 Favored 'General case' 0 N--CA 1.468 0.441 0 C-N-CA 126.201 1.801 . . . . 0.0 109.602 -175.535 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 8.0 t -70.65 91.43 0.81 Allowed 'General case' 0 CA--C 1.538 0.517 0 C-N-CA 123.186 0.594 . . . . 0.0 111.092 -168.978 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 5.7 t 11.58 -69.12 0.0 OUTLIER 'General case' 0 CA--C 1.537 0.45 0 C-N-CA 131.392 3.877 . . . . 0.0 117.719 166.624 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 88.2 mt-10 -131.89 32.17 4.11 Favored 'General case' 0 N--CA 1.469 0.507 0 C-N-CA 126.362 1.865 . . . . 0.0 111.623 -171.662 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 65.55 26.12 71.77 Favored Glycine 0 CA--C 1.534 1.228 0 O-C-N 121.452 -0.78 . . . . 0.0 114.434 177.161 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 18.6 mmt -87.31 -171.55 3.53 Favored 'General case' 0 CA--C 1.545 0.76 0 C-N-CA 125.176 1.391 . . . . 0.0 111.707 -176.927 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 58.0 t -64.58 131.7 30.34 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.701 0 C-N-CA 124.732 1.213 . . . . 0.0 109.464 172.147 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 33.8 t -111.6 82.0 1.54 Allowed 'General case' 0 CA--C 1.54 0.559 0 C-N-CA 124.592 1.157 . . . . 0.0 111.201 -178.172 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . 0.401 ' C ' ' H ' ' A' ' 26' ' ' TRP . 4.1 mpt_? -135.09 104.17 5.83 Favored 'General case' 0 N--CA 1.476 0.834 0 C-N-CA 125.317 1.447 . . . . 0.0 109.651 175.311 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 5.8 mp 61.77 -27.52 0.06 Allowed 'General case' 0 N--CA 1.479 0.994 0 C-N-CA 127.057 2.143 . . . . 0.0 114.738 -169.669 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 26' ' ' TRP . . . . . 0.401 ' H ' ' C ' ' A' ' 24' ' ' ARG . 0.1 OUTLIER -155.26 171.97 18.95 Favored 'General case' 0 C--N 1.325 -0.48 0 C-N-CA 127.551 2.34 . . . . 0.0 110.441 -177.871 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 16.2 t -107.48 43.86 1.14 Allowed 'General case' 0 CA--C 1.544 0.722 0 C-N-CA 123.988 0.915 . . . . 0.0 111.348 178.807 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 3.0 mmmp? -59.11 139.93 56.37 Favored 'General case' 0 N--CA 1.479 0.977 0 C-N-CA 123.885 0.874 . . . . 0.0 110.972 -175.256 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 59.2 mtpt -60.88 131.44 50.68 Favored 'General case' 0 N--CA 1.475 0.819 0 C-N-CA 123.339 0.656 . . . . 0.0 111.176 -177.547 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -152.82 31.98 0.5 Allowed 'General case' 0 N--CA 1.477 0.881 0 N-CA-C 113.013 0.746 . . . . 0.0 113.013 -165.588 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 44.2 tp . . . . . 0 CA--C 1.534 0.363 0 N-CA-C 113.145 0.794 . . . . 0.0 113.145 -157.746 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 CA--C 1.533 0.297 0 N-CA-C 105.324 -2.102 . . . . 0.0 105.324 . . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -38.37 -49.33 1.42 Allowed 'General case' 0 CA--C 1.548 0.876 0 C-N-CA 128.153 2.581 . . . . 0.0 114.488 169.889 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -66.78 -54.21 25.06 Favored 'General case' 0 CA--C 1.539 0.549 0 C-N-CA 124.643 1.177 . . . . 0.0 111.464 179.634 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 11.3 mttp -72.76 3.22 5.38 Favored 'General case' 0 N--CA 1.474 0.749 0 N-CA-C 115.814 1.783 . . . . 0.0 115.814 -178.54 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 7' ' ' TRP . . . . . . . . . . . . 0.278 32.9 m95 -131.87 13.57 4.82 Favored 'General case' 0 N--CA 1.47 0.529 0 N-CA-C 116.903 2.186 . . . . 0.0 116.903 172.947 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 5.9 mtt 56.69 55.69 6.13 Favored 'General case' 0 N--CA 1.478 0.948 0 N-CA-C 113.914 1.079 . . . . 0.0 113.914 174.452 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 4.1 pt20 -58.62 5.5 0.02 OUTLIER 'General case' 0 CA--C 1.551 1.017 0 N-CA-C 120.239 3.422 . . . . 0.0 120.239 -168.959 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 5.0 m 56.91 71.52 0.57 Allowed 'General case' 0 N--CA 1.479 0.999 0 O-C-N 120.363 -1.461 . . . . 0.0 112.587 -163.141 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 9.0 t -74.3 79.52 1.84 Allowed 'General case' 0 CA--C 1.541 0.633 0 O-C-N 121.15 -0.969 . . . . 0.0 111.297 -176.606 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 81.2 m-20 -70.99 163.81 26.81 Favored 'General case' 0 CA--C 1.534 0.343 0 C-N-CA 125.557 1.543 . . . . 0.0 114.326 174.357 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 8.7 t -61.68 -16.6 50.22 Favored 'General case' 0 N--CA 1.472 0.629 0 O-C-N 121.089 -1.007 . . . . 0.0 112.807 173.763 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 46.2 mt-10 -105.22 21.44 17.13 Favored 'General case' 0 CA--C 1.548 0.901 0 C-N-CA 125.493 1.517 . . . . 0.0 113.467 170.881 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 18.4 tpp85 -118.94 136.95 53.81 Favored 'General case' 0 N--CA 1.481 1.116 0 O-C-N 120.121 -1.612 . . . . 0.0 112.251 -174.901 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 66.1 mmtt -72.5 161.06 31.3 Favored 'General case' 0 N--CA 1.48 1.037 0 C-N-CA 125.436 1.494 . . . . 0.0 111.204 171.581 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 32.8 t -135.9 148.07 48.42 Favored 'General case' 0 CA--C 1.542 0.642 0 CA-C-O 122.559 1.171 . . . . 0.0 112.868 166.042 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 28.6 m -51.93 -34.57 42.42 Favored 'General case' 0 CA--C 1.537 0.461 0 C-N-CA 127.566 2.346 . . . . 0.0 114.286 -178.353 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -123.55 -31.45 3.49 Favored 'General case' 0 CA--C 1.542 0.644 0 C-N-CA 125.412 1.485 . . . . 0.0 112.894 170.623 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 94.06 63.07 1.05 Allowed Glycine 0 CA--C 1.529 0.926 0 O-C-N 120.988 -1.07 . . . . 0.0 112.98 178.686 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 50.2 mmm -115.09 -162.54 0.83 Allowed 'General case' 0 CA--C 1.539 0.526 0 C-N-CA 125.011 1.325 . . . . 0.0 111.134 -170.109 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 5.1 t -58.32 131.2 22.34 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.79 0 O-C-N 120.908 -1.12 . . . . 0.0 111.834 178.344 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 44.6 t -142.62 93.92 2.58 Favored 'General case' 0 CA--C 1.546 0.79 0 C-N-CA 123.962 0.905 . . . . 0.0 112.005 -151.171 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . 0.454 ' C ' ' H ' ' A' ' 26' ' ' TRP . 0.9 OUTLIER -161.97 129.26 3.91 Favored 'General case' 0 N--CA 1.493 1.695 0 C-N-CA 128.456 2.702 . . . . 0.0 106.485 164.841 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 5.9 mp 58.64 -17.9 0.02 OUTLIER 'General case' 0 N--CA 1.488 1.441 0 C-N-CA 126.87 2.068 . . . . 0.0 115.527 -175.661 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 26' ' ' TRP . . . . . 0.454 ' H ' ' C ' ' A' ' 24' ' ' ARG . 4.1 p-90 -157.41 166.97 31.6 Favored 'General case' 0 C--N 1.327 -0.41 0 C-N-CA 130.516 3.527 . . . . 0.0 109.899 -177.074 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 49.8 t -115.72 125.29 52.61 Favored 'General case' 0 CA--C 1.533 0.321 0 N-CA-C 107.332 -1.358 . . . . 0.0 107.332 162.575 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 31.4 mmmt -137.9 135.59 36.26 Favored 'General case' 0 N--CA 1.478 0.929 0 C-N-CA 124.272 1.029 . . . . 0.0 111.139 -171.644 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 15.3 mtpp -69.3 134.9 49.7 Favored 'General case' 0 N--CA 1.471 0.59 0 C-N-CA 123.833 0.853 . . . . 0.0 111.65 -179.707 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 5.3 tptm -154.63 43.25 0.5 Allowed 'General case' 0 N--CA 1.473 0.704 0 C-N-CA 124.462 1.105 . . . . 0.0 110.937 -179.368 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 13.7 tp . . . . . 0 CA--C 1.538 0.492 0 C-N-CA 124.629 1.172 . . . . 0.0 111.929 -168.991 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 3' ' ' TYR . . . . . . . . . . . . 0.339 47.3 m-85 . . . . . 0 N--CA 1.462 0.142 0 N-CA-C 114.315 1.228 . . . . 0.0 114.315 . . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 7.4 p -133.59 -73.08 0.49 Allowed 'General case' 0 CA--C 1.54 0.565 0 C-N-CA 124.524 1.129 . . . . 0.0 112.226 -168.751 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 1.2 pm0 -62.2 -50.49 71.6 Favored 'General case' 0 N--CA 1.47 0.533 0 CA-C-N 119.028 0.831 . . . . 0.0 109.893 171.258 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 15.2 mtpp -66.15 -1.21 3.01 Favored 'General case' 0 N--CA 1.473 0.699 0 C-N-CA 125.838 1.655 . . . . 0.0 114.958 177.076 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 7' ' ' TRP . . . . . . . . . . . . . 54.9 t90 -136.37 17.45 3.16 Favored 'General case' 0 CA--C 1.541 0.603 0 C-N-CA 124.601 1.16 . . . . 0.0 113.333 -177.509 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 41.7 mtt 57.31 56.53 5.05 Favored 'General case' 0 CA--C 1.543 0.674 0 N-CA-C 113.791 1.034 . . . . 0.0 113.791 170.078 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 15.9 pt20 -56.86 25.17 0.0 OUTLIER 'General case' 0 CA--C 1.558 1.259 0 N-CA-C 120.4 3.482 . . . . 0.0 120.4 -167.815 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 27.6 m 57.73 57.7 4.09 Favored 'General case' 0 N--CA 1.487 1.394 0 CA-C-N 122.14 2.245 . . . . 0.0 112.742 178.649 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -79.97 70.35 6.53 Favored 'General case' 0 CA--C 1.538 0.505 0 C-N-CA 124.766 1.227 . . . . 0.0 112.956 -174.229 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 15.6 m-20 -87.09 -171.33 3.45 Favored 'General case' 0 CA--C 1.543 0.709 0 C-N-CA 125.33 1.452 . . . . 0.0 114.18 153.405 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 29.8 p -69.01 34.39 0.03 OUTLIER 'General case' 0 N--CA 1.479 0.998 0 N-CA-C 116.637 2.088 . . . . 0.0 116.637 -179.935 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 49.6 mm-40 -140.48 42.74 1.88 Allowed 'General case' 0 C--O 1.238 0.464 0 C-N-CA 126.821 2.048 . . . . 0.0 111.903 176.577 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -136.21 125.18 24.25 Favored 'General case' 0 N--CA 1.474 0.753 0 N-CA-C 117.144 2.276 . . . . 0.0 117.144 -168.606 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 18.6 ptmt -63.68 66.6 0.02 OUTLIER 'General case' 0 CA--C 1.542 0.666 0 C-N-CA 127.148 2.179 . . . . 0.0 112.84 145.862 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 48.7 t -56.87 122.04 11.29 Favored 'General case' 0 C--O 1.237 0.436 0 O-C-N 120.528 -1.357 . . . . 0.0 109.587 175.91 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 14.7 m -67.55 -13.85 62.42 Favored 'General case' 0 CA--C 1.542 0.648 0 N-CA-C 113.535 0.939 . . . . 0.0 113.535 -167.416 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 62.1 mm-40 -138.91 171.59 14.1 Favored 'General case' 0 CA--C 1.545 0.776 0 C-N-CA 125.782 1.633 . . . . 0.0 111.532 179.178 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -86.87 -8.84 75.45 Favored Glycine 0 CA--C 1.534 1.268 0 C-N-CA 125.395 1.474 . . . . 0.0 115.646 -174.733 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 15.3 ptp -58.61 -163.33 0.0 OUTLIER 'General case' 0 CA--C 1.547 0.862 0 C-N-CA 128.976 2.91 . . . . 0.0 113.934 172.441 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 2.7 t -50.48 142.83 2.71 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.869 0 O-C-N 120.989 -1.069 . . . . 0.0 113.131 179.322 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 41.4 t -132.97 79.04 1.82 Allowed 'General case' 0 N--CA 1.466 0.329 0 C-N-CA 124.465 1.106 . . . . 0.0 109.245 164.526 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 3.1 mpt_? -144.41 112.08 6.16 Favored 'General case' 0 N--CA 1.467 0.4 0 C-N-CA 125.881 1.672 . . . . 0.0 108.143 171.861 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 3.9 mp 60.18 -32.46 0.06 Allowed 'General case' 0 CA--C 1.548 0.873 0 C-N-CA 126.658 1.983 . . . . 0.0 114.978 -166.434 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 26' ' ' TRP . . . . . 0.432 ' CZ3' ' HE2' ' A' ' 28' ' ' LYS . 0.1 OUTLIER -153.44 172.11 17.62 Favored 'General case' 0 C--N 1.328 -0.326 0 C-N-CA 126.579 1.952 . . . . 0.0 113.291 -173.072 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 69.7 m -114.17 90.14 3.27 Favored 'General case' 0 CA--C 1.535 0.404 0 C-N-CA 125.234 1.414 . . . . 0.0 110.017 171.176 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . 0.432 ' HE2' ' CZ3' ' A' ' 26' ' ' TRP . 0.0 OUTLIER -132.94 160.22 37.7 Favored 'General case' 0 N--CA 1.477 0.9 0 C-N-CA 124.474 1.109 . . . . 0.0 111.418 175.286 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 33.6 mttm -67.24 130.51 43.31 Favored 'General case' 0 N--CA 1.468 0.47 0 C-N-CA 123.664 0.786 . . . . 0.0 111.534 -168.831 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 11.8 tppt? -162.94 96.06 0.89 Allowed 'General case' 0 N--CA 1.469 0.494 0 C-N-CA 125.675 1.59 . . . . 0.0 108.186 162.853 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 57.2 tp . . . . . 0 N--CA 1.47 0.569 0 N-CA-C 113.492 0.923 . . . . 0.0 113.492 -176.143 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 3' ' ' TYR . . . . . . . . . . . . 0.253 38.1 m-85 . . . . . 0 CA--C 1.538 0.483 0 N-CA-C 117.418 2.377 . . . . 0.0 117.418 . . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 36.7 m -54.08 -43.67 70.52 Favored 'General case' 0 CA--C 1.538 0.497 0 N-CA-C 114.232 1.197 . . . . 0.0 114.232 -168.203 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -85.05 5.24 30.34 Favored 'General case' 0 CA--C 1.545 0.753 0 C-N-CA 125.142 1.377 . . . . 0.0 113.145 -173.903 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 4.4 ttmp? -137.26 -0.03 2.27 Favored 'General case' 0 CA--C 1.54 0.581 0 C-N-CA 127.659 2.384 . . . . 0.0 112.642 -166.231 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 7' ' ' TRP . . . . . . . . . . . . . 64.6 t90 -148.39 1.45 0.62 Allowed 'General case' 0 CA--C 1.553 1.092 0 N-CA-C 116.147 1.906 . . . . 0.0 116.147 -179.517 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 69.4 mtm 56.89 74.6 0.4 Allowed 'General case' 0 N--CA 1.477 0.876 0 C-N-CA 125.958 1.703 . . . . 0.0 113.458 176.95 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 10.0 pt20 -61.47 -2.39 0.73 Allowed 'General case' 0 CA--C 1.553 1.093 0 N-CA-C 116.219 1.933 . . . . 0.0 116.219 -174.563 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 33.5 m 59.27 92.39 0.04 OUTLIER 'General case' 0 N--CA 1.477 0.913 0 C-N-CA 125.591 1.556 . . . . 0.0 111.387 -149.97 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -97.95 77.84 2.51 Favored 'General case' 0 CA--C 1.537 0.467 0 C-N-CA 124.515 1.126 . . . . 0.0 111.56 -173.863 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 74.9 m-20 -68.41 173.77 4.64 Favored 'General case' 0 CA--C 1.548 0.902 0 C-N-CA 125.598 1.559 . . . . 0.0 114.332 169.447 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 42.4 t -55.61 -26.4 43.9 Favored 'General case' 0 N--CA 1.481 1.098 0 N-CA-C 114.805 1.409 . . . . 0.0 114.805 178.412 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 27.2 mt-10 -95.64 -10.17 30.12 Favored 'General case' 0 N--CA 1.474 0.766 0 N-CA-C 114.03 1.122 . . . . 0.0 114.03 179.144 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 11.3 mmt85 -82.38 133.02 35.21 Favored 'General case' 0 N--CA 1.471 0.595 0 O-C-N 121.044 -1.035 . . . . 0.0 112.929 -170.494 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -79.72 106.44 11.75 Favored 'General case' 0 N--CA 1.471 0.587 0 C-N-CA 123.188 0.595 . . . . 0.0 109.816 176.258 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 52.8 t -72.3 120.01 17.3 Favored 'General case' 0 CA--C 1.541 0.632 0 N-CA-C 108.446 -0.946 . . . . 0.0 108.446 164.34 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 63.5 m -49.7 -42.26 45.39 Favored 'General case' 0 N--CA 1.473 0.723 0 C-N-CA 125.72 1.608 . . . . 0.0 114.081 -163.124 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 54.9 mt-10 -96.35 15.32 21.55 Favored 'General case' 0 CA--C 1.544 0.721 0 N-CA-C 114.266 1.21 . . . . 0.0 114.266 -178.841 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 75.65 -5.19 39.42 Favored Glycine 0 CA--C 1.536 1.349 0 C-N-CA 126.042 1.782 . . . . 0.0 115.313 177.677 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 15.1 ptp -76.27 178.44 6.47 Favored 'General case' 0 CA--C 1.544 0.734 0 C-N-CA 126.568 1.947 . . . . 0.0 114.288 -175.948 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 19.6 t -53.23 131.76 15.45 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.914 0 C-N-CA 125.901 1.68 . . . . 0.0 113.909 -169.139 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 44.7 t -137.33 90.18 2.49 Favored 'General case' 0 CA--C 1.544 0.728 0 C-N-CA 126.719 2.008 . . . . 0.0 111.049 -165.255 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -145.32 93.25 2.35 Favored 'General case' 0 N--CA 1.477 0.925 0 C-N-CA 124.796 1.239 . . . . 0.0 110.638 175.66 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 18.9 mt 65.61 -46.04 0.38 Allowed 'General case' 0 CA--C 1.542 0.662 0 C-N-CA 127.464 2.306 . . . . 0.0 113.238 -169.307 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 26' ' ' TRP . . . . . . . . . . . . . 24.8 p-90 -96.17 167.38 11.24 Favored 'General case' 0 CA--C 1.534 0.341 0 C-N-CA 125.353 1.461 . . . . 0.0 112.774 164.155 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 2.4 t -127.33 129.67 48.07 Favored 'General case' 0 CA--C 1.542 0.646 0 N-CA-C 104.909 -2.256 . . . . 0.0 104.909 161.814 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 21.6 tptt -143.44 -100.86 0.12 Allowed 'General case' 0 N--CA 1.484 1.267 0 N-CA-C 114.156 1.169 . . . . 0.0 114.156 -156.354 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 7.8 mtpt -171.39 146.15 2.23 Favored 'General case' 0 N--CA 1.479 1.011 0 C-N-CA 126.917 2.087 . . . . 0.0 109.938 165.169 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 4.8 tptm -158.16 40.75 0.27 Allowed 'General case' 0 N--CA 1.481 1.086 0 C-N-CA 124.515 1.126 . . . . 0.0 111.65 173.501 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 6.7 tt . . . . . 0 CA--C 1.54 0.579 0 C-N-CA 126.385 1.874 . . . . 0.0 109.3 -172.816 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 3' ' ' TYR . . . . . . . . . . . . 0.319 0.1 OUTLIER . . . . . 0 C--O 1.234 0.282 0 N-CA-C 116.965 2.209 . . . . 0.0 116.965 . . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 3.8 m -112.48 -65.57 1.17 Allowed 'General case' 0 CA--C 1.536 0.433 0 C-N-CA 123.787 0.835 . . . . 0.0 111.323 169.828 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -60.0 -39.47 85.91 Favored 'General case' 0 N--CA 1.473 0.682 0 O-C-N 120.901 -1.124 . . . . 0.0 111.618 -179.966 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 7.8 mttp -69.46 -2.87 12.3 Favored 'General case' 0 N--CA 1.471 0.618 0 N-CA-C 114.701 1.371 . . . . 0.0 114.701 178.106 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 7' ' ' TRP . . . . . . . . . . . . . 4.8 t-105 -127.75 19.81 6.63 Favored 'General case' 0 CA--C 1.537 0.474 0 C-N-CA 124.324 1.049 . . . . 0.0 111.41 171.373 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 75.0 mtm 50.48 61.55 3.15 Favored 'General case' 0 CA--C 1.541 0.603 0 C-N-CA 125.234 1.414 . . . . 0.0 112.96 174.92 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -57.13 35.66 0.0 OUTLIER 'General case' 0 CA--C 1.551 1.01 0 C-N-CA 129.616 3.166 . . . . 0.0 119.329 -169.012 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 11.1 m 52.74 60.84 3.51 Favored 'General case' 0 N--CA 1.479 0.992 0 CA-C-N 120.678 1.581 . . . . 0.0 111.658 162.564 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 1.8 t -75.63 55.86 0.87 Allowed 'General case' 0 CA--C 1.541 0.598 0 C-N-CA 125.029 1.331 . . . . 0.0 114.08 -163.523 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 67.3 m-20 -67.79 159.64 29.86 Favored 'General case' 0 CA--C 1.536 0.409 0 C-N-CA 124.781 1.232 . . . . 0.0 113.823 158.33 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 33.3 t -57.1 -35.05 68.95 Favored 'General case' 0 N--CA 1.479 0.988 0 N-CA-C 114.539 1.311 . . . . 0.0 114.539 -171.082 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 13.9 pt-20 -73.38 -15.91 61.35 Favored 'General case' 0 CA--C 1.546 0.822 0 N-CA-C 115.228 1.566 . . . . 0.0 115.228 176.869 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -90.06 136.93 32.75 Favored 'General case' 0 N--CA 1.478 0.937 0 CA-C-N 119.73 1.15 . . . . 0.0 111.734 -171.794 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 37.8 mmtm -54.95 149.41 11.71 Favored 'General case' 0 N--CA 1.478 0.961 0 C-N-CA 125.022 1.329 . . . . 0.0 112.36 168.237 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 53.4 t -121.85 77.92 1.41 Allowed 'General case' 0 N--CA 1.469 0.505 0 C-N-CA 125.147 1.379 . . . . 0.0 109.451 173.154 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 2.4 m -70.03 28.36 0.03 OUTLIER 'General case' 0 CA--C 1.555 1.146 0 N-CA-C 116.361 1.986 . . . . 0.0 116.361 -162.742 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 4.9 mm-40 -132.67 -12.55 3.0 Favored 'General case' 0 CA--C 1.544 0.745 0 C-N-CA 125.663 1.585 . . . . 0.0 113.627 161.253 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 67.72 59.03 6.93 Favored Glycine 0 CA--C 1.535 1.282 0 CA-C-N 120.432 1.469 . . . . 0.0 113.547 -176.024 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 24.2 mmt -130.5 -160.18 1.02 Allowed 'General case' 0 N--CA 1.474 0.726 0 C-N-CA 125.08 1.352 . . . . 0.0 111.665 -164.881 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 13.5 t -46.67 141.62 1.12 Allowed 'Isoleucine or valine' 0 N--CA 1.474 0.749 0 CA-C-O 118.325 -0.845 . . . . 0.0 110.804 157.279 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 19.0 t -139.04 89.82 2.38 Favored 'General case' 0 CA--C 1.536 0.428 0 C-N-CA 125.627 1.571 . . . . 0.0 108.619 173.611 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . 0.449 ' C ' ' H ' ' A' ' 26' ' ' TRP . 4.3 mpt_? -144.37 99.58 3.39 Favored 'General case' 0 N--CA 1.476 0.84 0 C-N-CA 125.729 1.612 . . . . 0.0 109.485 178.935 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 25.7 mt 54.89 -20.68 0.01 OUTLIER 'General case' 0 N--CA 1.483 1.195 0 C-N-CA 128.317 2.647 . . . . 0.0 115.559 -159.424 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 26' ' ' TRP . . . . . 0.449 ' H ' ' C ' ' A' ' 24' ' ' ARG . 3.5 p-90 -157.24 172.79 18.0 Favored 'General case' 0 CA--C 1.54 0.56 0 C-N-CA 128.26 2.624 . . . . 0.0 111.974 -177.815 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 71.1 m -117.14 139.94 50.12 Favored 'General case' 0 CA--C 1.531 0.213 0 C-N-CA 125.967 1.707 . . . . 0.0 111.243 169.362 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 75.8 mttt -130.91 -115.94 0.23 Allowed 'General case' 0 N--CA 1.474 0.754 0 C-N-CA 125.952 1.701 . . . . 0.0 110.595 -178.216 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 3.1 ttpt -147.55 137.48 22.89 Favored 'General case' 0 N--CA 1.479 0.976 0 CA-C-N 120.351 1.432 . . . . 0.0 113.017 171.412 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 6.7 ttpt -156.63 -6.98 0.1 Allowed 'General case' 0 N--CA 1.486 1.336 0 C-N-CA 126.135 1.774 . . . . 0.0 115.527 171.057 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 34.1 tp . . . . . 0 N--CA 1.471 0.58 0 O-C-N 119.947 -1.721 . . . . 0.0 108.399 157.341 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 6.5 p90 . . . . . 0 C--O 1.232 0.143 0 N-CA-C 114.392 1.256 . . . . 0.0 114.392 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -161.82 -61.84 0.05 Allowed 'General case' 0 CA--C 1.539 0.528 0 N-CA-C 113.335 0.865 . . . . 0.0 113.335 173.441 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -64.24 -47.47 79.53 Favored 'General case' 0 N--CA 1.468 0.428 0 C-N-CA 124.714 1.206 . . . . 0.0 112.71 179.508 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 17.0 tttp -66.83 -9.8 41.23 Favored 'General case' 0 N--CA 1.469 0.487 0 C-N-CA 125.843 1.657 . . . . 0.0 113.321 -175.209 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 7' ' ' TRP . . . . . . . . . . . . . 0.1 OUTLIER -149.87 52.2 0.92 Allowed 'General case' 0 CA--C 1.55 0.965 0 C-N-CA 126.403 1.881 . . . . 0.0 107.965 -174.202 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 52.3 mtt 39.32 51.27 2.09 Favored 'General case' 0 N--CA 1.48 1.041 0 N-CA-C 117.314 2.339 . . . . 0.0 117.314 159.59 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 2.3 pt20 -58.38 -4.62 0.4 Allowed 'General case' 0 CA--C 1.553 1.064 0 N-CA-C 119.134 3.012 . . . . 0.0 119.134 -170.802 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 46.6 m 66.04 145.72 0.03 OUTLIER 'General case' 0 N--CA 1.482 1.163 0 CA-C-N 120.152 1.342 . . . . 0.0 112.843 -156.578 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 0.7 OUTLIER -156.74 128.58 7.23 Favored 'General case' 0 N--CA 1.468 0.459 0 O-C-N 119.632 -1.918 . . . . 0.0 110.791 -174.697 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 11.3 m-20 -149.14 165.29 32.23 Favored 'General case' 0 CA--C 1.544 0.713 0 C-N-CA 126.131 1.773 . . . . 0.0 107.314 -163.517 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 43.7 t -52.72 -38.12 60.26 Favored 'General case' 0 N--CA 1.482 1.139 0 O-C-N 120.791 -1.193 . . . . 0.0 114.071 178.797 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 70.5 tt0 -64.63 -34.12 77.53 Favored 'General case' 0 N--CA 1.473 0.688 0 N-CA-C 115.26 1.578 . . . . 0.0 115.26 173.832 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -112.55 138.22 49.64 Favored 'General case' 0 N--CA 1.466 0.344 0 C-N-CA 123.482 0.713 . . . . 0.0 112.72 -148.769 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 54.5 pttt -52.4 127.99 24.13 Favored 'General case' 0 N--CA 1.467 0.421 0 C-N-CA 124.979 1.312 . . . . 0.0 111.593 -172.883 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 5.9 t -89.91 117.41 28.71 Favored 'General case' 0 CA--C 1.531 0.246 0 N-CA-C 108.137 -1.06 . . . . 0.0 108.137 169.89 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 5.2 t -38.67 -43.2 0.87 Allowed 'General case' 0 CA--C 1.541 0.603 0 C-N-CA 127.363 2.265 . . . . 0.0 115.464 -179.285 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 55.0 mt-10 -128.89 22.1 5.82 Favored 'General case' 0 CA--C 1.546 0.825 0 C-N-CA 125.399 1.48 . . . . 0.0 111.593 -177.017 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 68.25 12.91 64.06 Favored Glycine 0 CA--C 1.541 1.663 0 N-CA-C 117.023 1.569 . . . . 0.0 117.023 177.954 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 18.3 mmt -76.74 -169.3 1.23 Allowed 'General case' 0 CA--C 1.547 0.865 0 C-N-CA 127.569 2.347 . . . . 0.0 113.914 -173.652 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 15.6 t -49.42 136.86 6.11 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.008 0 C-N-CA 124.641 1.176 . . . . 0.0 108.691 154.856 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 49.0 t -137.67 77.91 1.66 Allowed 'General case' 0 CA--C 1.539 0.547 0 C-N-CA 125.788 1.635 . . . . 0.0 110.397 -168.498 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -148.16 113.05 5.44 Favored 'General case' 0 N--CA 1.479 1.01 0 C-N-CA 126.68 1.992 . . . . 0.0 110.076 -179.169 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 48.5 mt 62.18 -32.14 0.09 Allowed 'General case' 0 N--CA 1.483 1.187 0 C-N-CA 127.441 2.296 . . . . 0.0 115.104 -162.526 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 26' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -153.16 159.21 42.66 Favored 'General case' 0 CA--C 1.532 0.254 0 C-N-CA 124.948 1.299 . . . . 0.0 110.395 173.12 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 9.0 t -87.77 123.41 32.54 Favored 'General case' 0 CA--C 1.531 0.234 0 N-CA-C 106.678 -1.601 . . . . 0.0 106.678 153.962 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . 0.289 2.2 tptm -122.06 -119.26 0.29 Allowed 'General case' 0 N--CA 1.478 0.95 0 CA-C-N 119.676 1.126 . . . . 0.0 111.607 -174.824 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 18.8 ttmm -139.0 129.02 25.15 Favored 'General case' 0 N--CA 1.471 0.616 0 CA-C-N 120.635 1.561 . . . . 0.0 111.637 166.346 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 3.7 tmtm? -118.3 -29.51 5.5 Favored 'General case' 0 N--CA 1.475 0.787 0 C-N-CA 126.646 1.978 . . . . 0.0 111.596 171.599 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 2.7 mm? . . . . . 0 CA--C 1.552 1.026 0 C-N-CA 126.484 1.914 . . . . 0.0 111.933 174.685 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 33.3 p90 . . . . . 0 C--O 1.237 0.4 0 N-CA-C 115.133 1.531 . . . . 0.0 115.133 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -154.12 -58.33 0.12 Allowed 'General case' 0 CA--C 1.545 0.784 0 N-CA-C 114.286 1.217 . . . . 0.0 114.286 -175.984 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -65.48 -44.47 87.03 Favored 'General case' 0 N--CA 1.477 0.879 0 O-C-N 121.01 -1.056 . . . . 0.0 110.246 171.964 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 31.6 tttm -73.71 4.07 5.59 Favored 'General case' 0 CA--C 1.542 0.664 0 C-N-CA 127.552 2.341 . . . . 0.0 114.031 -179.267 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 7' ' ' TRP . . . . . . . . . . . . . 23.5 t-105 -153.59 24.51 0.52 Allowed 'General case' 0 CA--C 1.549 0.929 0 C-N-CA 124.272 1.029 . . . . 0.0 113.028 -173.282 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 83.9 mtp 51.17 66.87 1.05 Allowed 'General case' 0 N--CA 1.476 0.874 0 N-CA-C 114.651 1.352 . . . . 0.0 114.651 172.939 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 5.7 pt20 -65.3 33.6 0.02 OUTLIER 'General case' 0 CA--C 1.555 1.163 0 N-CA-C 119.231 3.049 . . . . 0.0 119.231 -171.724 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 6.1 m 44.95 57.89 4.36 Favored 'General case' 0 N--CA 1.484 1.252 0 CA-C-N 120.902 1.683 . . . . 0.0 112.579 178.223 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 1.3 t -77.78 78.97 4.28 Favored 'General case' 0 CA--C 1.535 0.402 0 C-N-CA 123.769 0.828 . . . . 0.0 111.958 -161.509 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 74.3 m-20 -72.59 166.74 22.14 Favored 'General case' 0 CA--C 1.541 0.606 0 C-N-CA 126.028 1.731 . . . . 0.0 113.57 170.441 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 3.3 t -46.39 -40.66 12.45 Favored 'General case' 0 N--CA 1.48 1.054 0 N-CA-C 115.651 1.722 . . . . 0.0 115.651 -176.531 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 35.4 mp0 -101.04 9.66 41.92 Favored 'General case' 0 N--CA 1.472 0.634 0 C-N-CA 125.015 1.326 . . . . 0.0 113.515 -177.05 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -82.98 125.61 31.6 Favored 'General case' 0 N--CA 1.467 0.413 0 O-C-N 120.44 -1.412 . . . . 0.0 110.796 -169.564 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 10.8 ptmt -58.45 99.35 0.04 OUTLIER 'General case' 0 N--CA 1.479 0.994 0 C-N-CA 124.926 1.29 . . . . 0.0 113.25 178.211 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 43.6 t -66.05 140.91 58.3 Favored 'General case' 0 CA--C 1.54 0.588 0 C-N-CA 122.677 0.391 . . . . 0.0 111.756 -179.325 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 0.7 OUTLIER -60.94 -28.99 69.37 Favored 'General case' 0 CA--C 1.541 0.612 0 C-N-CA 126.946 2.098 . . . . 0.0 114.896 -177.599 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 97.0 mt-10 -136.65 -23.35 1.22 Allowed 'General case' 0 N--CA 1.472 0.636 0 C-N-CA 124.733 1.213 . . . . 0.0 113.722 -168.957 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 83.52 73.69 1.24 Allowed Glycine 0 CA--C 1.531 1.062 0 C-N-CA 124.06 0.838 . . . . 0.0 111.286 -162.892 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 16.0 mmt -141.82 178.19 7.66 Favored 'General case' 0 CA--C 1.54 0.579 0 C-N-CA 126.585 1.954 . . . . 0.0 110.862 -172.407 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 73.2 t -60.85 125.37 16.9 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.831 0 C-N-CA 124.186 0.994 . . . . 0.0 109.351 175.709 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 43.1 t -122.71 92.98 3.83 Favored 'General case' 0 CA--C 1.542 0.66 0 C-N-CA 126.157 1.783 . . . . 0.0 111.34 -168.026 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 4.7 mpt_? -151.45 106.85 3.33 Favored 'General case' 0 N--CA 1.482 1.157 0 C-N-CA 126.879 2.072 . . . . 0.0 109.601 179.547 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 6.5 mp 58.84 -33.42 0.05 OUTLIER 'General case' 0 N--CA 1.485 1.3 0 C-N-CA 128.451 2.7 . . . . 0.0 114.3 -161.023 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 26' ' ' TRP . . . . . . . . . . . . . 1.3 p-90 -141.62 157.65 44.82 Favored 'General case' 0 C--N 1.324 -0.525 0 C-N-CA 127.494 2.317 . . . . 0.0 110.878 178.58 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 0.6 OUTLIER -98.85 117.96 34.52 Favored 'General case' 0 N--CA 1.463 0.21 0 CA-C-O 117.638 -1.172 . . . . 0.0 107.965 166.865 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 68.8 mmtt -134.08 141.47 47.18 Favored 'General case' 0 N--CA 1.478 0.954 0 N-CA-C 116.605 2.076 . . . . 0.0 116.605 -167.801 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 25.0 tttp -77.84 79.8 4.31 Favored 'General case' 0 CA--C 1.536 0.42 0 C-N-CA 128.378 2.671 . . . . 0.0 113.003 -161.177 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -89.78 -5.97 56.43 Favored 'General case' 0 N--CA 1.479 0.98 0 N-CA-C 114.686 1.365 . . . . 0.0 114.686 172.529 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 9.0 tt . . . . . 0 N--CA 1.467 0.418 0 CA-C-N 119.227 0.921 . . . . 0.0 111.439 -177.028 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 3' ' ' TYR . . . . . . . . . . . . 0.377 49.7 m-85 . . . . . 0 CA--C 1.543 0.71 0 N-CA-C 118.022 2.601 . . . . 0.0 118.022 . . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -36.39 -48.82 0.68 Allowed 'General case' 0 CA--C 1.546 0.788 0 C-N-CA 128.524 2.73 . . . . 0.0 116.507 -169.277 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -68.8 -39.19 80.23 Favored 'General case' 0 CA--C 1.546 0.789 0 C-N-CA 124.735 1.214 . . . . 0.0 113.24 -178.866 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 23.0 mttm -73.69 -36.52 65.3 Favored 'General case' 0 N--CA 1.477 0.899 0 C-N-CA 125.601 1.56 . . . . 0.0 114.019 173.689 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 7' ' ' TRP . . . . . . . . . . . . . 0.9 OUTLIER -83.59 -4.24 58.39 Favored 'General case' 0 N--CA 1.475 0.822 0 N-CA-C 116.27 1.952 . . . . 0.0 116.27 179.614 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 23.3 mtm 60.28 70.0 0.66 Allowed 'General case' 0 CA--C 1.538 0.5 0 C-N-CA 125.533 1.533 . . . . 0.0 111.774 -176.989 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -60.45 29.81 0.01 OUTLIER 'General case' 0 CA--C 1.554 1.107 0 C-N-CA 128.875 2.87 . . . . 0.0 118.205 -178.017 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 6.2 m 46.58 56.24 6.71 Favored 'General case' 0 N--CA 1.477 0.919 0 C-N-CA 127.025 2.13 . . . . 0.0 113.839 167.824 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -79.46 143.4 35.0 Favored 'General case' 0 CA--C 1.538 0.508 0 CA-C-N 115.465 -0.789 . . . . 0.0 111.812 -170.618 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 40.0 t0 -170.63 -179.63 2.98 Favored 'General case' 0 CA--C 1.544 0.725 0 N-CA-C 107.594 -1.262 . . . . 0.0 107.594 -139.335 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 30.2 t -59.35 -49.12 79.06 Favored 'General case' 0 N--CA 1.476 0.839 0 O-C-N 120.231 -1.543 . . . . 0.0 113.492 175.308 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 25.6 tt0 -95.12 16.26 16.89 Favored 'General case' 0 CA--C 1.544 0.737 0 N-CA-C 113.565 0.95 . . . . 0.0 113.565 -170.271 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -98.83 127.6 44.8 Favored 'General case' 0 N--CA 1.472 0.641 0 N-CA-C 115.16 1.541 . . . . 0.0 115.16 -169.994 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -60.52 156.76 15.57 Favored 'General case' 0 N--CA 1.469 0.508 0 CA-C-N 114.604 -1.18 . . . . 0.0 110.133 155.064 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 40.3 t -135.14 137.28 42.61 Favored 'General case' 0 CA--C 1.541 0.629 0 C-N-CA 124.073 0.949 . . . . 0.0 112.778 -167.735 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 1.9 t -57.94 -35.79 71.6 Favored 'General case' 0 CA--C 1.546 0.826 0 C-N-CA 126.405 1.882 . . . . 0.0 115.687 -166.631 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 29.2 mt-10 -147.67 27.67 0.98 Allowed 'General case' 0 CA--C 1.554 1.133 0 C-N-CA 124.581 1.152 . . . . 0.0 113.774 -174.988 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 69.98 8.23 60.86 Favored Glycine 0 CA--C 1.542 1.746 0 O-C-N 120.279 -1.513 . . . . 0.0 116.53 177.817 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -73.23 -178.02 2.75 Favored 'General case' 0 CA--C 1.546 0.805 0 C-N-CA 125.989 1.716 . . . . 0.0 112.677 176.521 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 91.2 t -64.17 142.52 16.76 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.758 0 C-N-CA 124.526 1.13 . . . . 0.0 110.593 171.731 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 36.8 t -122.81 80.58 1.77 Allowed 'General case' 0 CA--C 1.536 0.428 0 C-N-CA 126.581 1.952 . . . . 0.0 110.483 -166.645 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -140.09 108.49 5.84 Favored 'General case' 0 N--CA 1.479 0.982 0 C-N-CA 125.324 1.45 . . . . 0.0 110.92 -179.372 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 5.8 mp 62.25 -32.58 0.1 Allowed 'General case' 0 N--CA 1.477 0.877 0 C-N-CA 128.588 2.755 . . . . 0.0 114.133 -168.306 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 26' ' ' TRP . . . . . . . . . . . . . 0.4 OUTLIER -151.07 -179.51 7.37 Favored 'General case' 0 CA--C 1.539 0.521 0 C-N-CA 127.833 2.453 . . . . 0.0 111.289 171.622 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 0.9 OUTLIER -124.64 107.32 10.88 Favored 'General case' 0 CA--C 1.534 0.361 0 C-N-CA 125.42 1.488 . . . . 0.0 107.556 171.526 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 3.7 mptp? -116.33 141.68 47.84 Favored 'General case' 0 N--CA 1.48 1.052 0 C-N-CA 125.637 1.575 . . . . 0.0 110.77 174.812 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 1.1 ttmp? -58.33 115.16 2.78 Favored 'General case' 0 N--CA 1.479 0.997 0 N-CA-C 108.531 -0.914 . . . . 0.0 108.531 -178.237 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 10.0 tmtt? -150.34 95.97 2.33 Favored 'General case' 0 N--CA 1.467 0.407 0 C-N-CA 124.74 1.216 . . . . 0.0 108.723 -169.63 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 CA--C 1.535 0.393 0 C-N-CA 127.456 2.302 . . . . 0.0 108.775 -164.099 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 75.5 m-85 . . . . . 0 N--CA 1.47 0.544 0 N-CA-C 113.298 0.851 . . . . 0.0 113.298 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 0.6 OUTLIER -132.9 -66.22 0.68 Allowed 'General case' 0 CA--C 1.541 0.604 0 N-CA-C 114.394 1.257 . . . . 0.0 114.394 174.492 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -60.77 -33.77 73.46 Favored 'General case' 0 N--CA 1.475 0.802 0 O-C-N 120.851 -1.155 . . . . 0.0 113.362 -177.788 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 77.7 tttt -71.54 -20.66 62.0 Favored 'General case' 0 CA--C 1.542 0.64 0 N-CA-C 113.76 1.022 . . . . 0.0 113.76 173.612 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 7' ' ' TRP . . . . . . . . . . . . . 1.0 OUTLIER -147.17 63.01 1.17 Allowed 'General case' 0 CA--C 1.552 1.053 0 CA-C-N 119.949 1.25 . . . . 0.0 111.894 -152.65 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 8' ' ' MET . . . . . . . . . . . . 0.259 29.4 mtt 54.44 35.93 24.37 Favored 'General case' 0 N--CA 1.483 1.208 0 N-CA-C 117.962 2.579 . . . . 0.0 117.962 161.941 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -67.15 17.68 0.03 OUTLIER 'General case' 0 N--CA 1.482 1.126 0 N-CA-C 120.236 3.421 . . . . 0.0 120.236 -168.113 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 9.1 m 50.74 60.82 3.59 Favored 'General case' 0 N--CA 1.484 1.252 0 CA-C-N 120.802 1.637 . . . . 0.0 113.905 162.032 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 6.0 t -83.39 62.06 6.52 Favored 'General case' 0 CA--C 1.542 0.648 0 N-CA-C 113.152 0.797 . . . . 0.0 113.152 -166.928 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 24.8 m-20 -62.88 167.18 4.89 Favored 'General case' 0 CA--C 1.538 0.501 0 N-CA-C 113.633 0.975 . . . . 0.0 113.633 168.546 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 2.1 p -53.51 -26.33 20.32 Favored 'General case' 0 N--CA 1.479 0.988 0 N-CA-C 116.565 2.061 . . . . 0.0 116.565 -179.227 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 6.3 pt-20 -97.9 3.42 49.72 Favored 'General case' 0 CA--C 1.545 0.767 0 N-CA-C 114.922 1.453 . . . . 0.0 114.922 177.156 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -95.33 155.51 16.71 Favored 'General case' 0 N--CA 1.476 0.833 0 C-N-CA 124.769 1.228 . . . . 0.0 111.289 175.624 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 35.5 mttp -67.34 165.62 16.05 Favored 'General case' 0 N--CA 1.473 0.693 0 C-N-CA 123.538 0.735 . . . . 0.0 110.444 161.672 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 43.0 t -120.28 122.15 40.22 Favored 'General case' 0 C--N 1.328 -0.36 0 C-N-CA 125.043 1.337 . . . . 0.0 109.592 163.333 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 0.7 OUTLIER -48.69 -43.59 37.19 Favored 'General case' 0 CA--C 1.542 0.642 0 C-N-CA 125.364 1.465 . . . . 0.0 114.877 -164.797 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 9.4 mm-40 -118.36 9.39 12.43 Favored 'General case' 0 CA--C 1.549 0.925 0 C-N-CA 125.837 1.655 . . . . 0.0 111.276 179.328 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 79.05 -8.03 47.88 Favored Glycine 0 CA--C 1.537 1.416 0 N-CA-C 117.332 1.693 . . . . 0.0 117.332 -173.287 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 16.0 ptp -115.1 137.7 51.71 Favored 'General case' 0 N--CA 1.477 0.912 0 CA-C-N 120.515 2.157 . . . . 0.0 116.423 -169.712 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . 0.381 1.3 t 65.72 41.61 0.14 Allowed 'Isoleucine or valine' 0 N--CA 1.479 0.999 0 N-CA-C 115.953 1.834 . . . . 0.0 115.953 176.895 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 42.2 t -64.22 80.29 0.03 OUTLIER 'General case' 0 CA--C 1.546 0.81 0 C-N-CA 126.058 1.743 . . . . 0.0 112.996 176.204 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . 0.444 ' C ' ' H ' ' A' ' 26' ' ' TRP . 2.8 mpt_? -153.82 103.12 2.57 Favored 'General case' 0 N--CA 1.481 1.091 0 C-N-CA 127.136 2.174 . . . . 0.0 110.493 179.201 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 42.1 mt 60.88 -21.5 0.03 OUTLIER 'General case' 0 N--CA 1.481 1.111 0 C-N-CA 128.852 2.861 . . . . 0.0 115.45 -170.562 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 26' ' ' TRP . . . . . 0.444 ' H ' ' C ' ' A' ' 24' ' ' ARG . 0.0 OUTLIER -149.67 -164.32 1.99 Allowed 'General case' 0 CA--C 1.546 0.821 0 C-N-CA 129.351 3.06 . . . . 0.0 108.074 174.602 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 61.4 m -123.43 161.25 25.17 Favored 'General case' 0 C--O 1.237 0.444 0 C-N-CA 124.219 1.008 . . . . 0.0 108.993 152.399 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -140.06 -109.11 0.16 Allowed 'General case' 0 N--CA 1.474 0.775 0 CA-C-O 118.504 -0.76 . . . . 0.0 112.852 -165.22 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 20.8 tttt -161.24 139.26 9.41 Favored 'General case' 0 N--CA 1.469 0.51 0 C-N-CA 124.362 1.065 . . . . 0.0 109.241 177.456 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -159.25 -27.36 0.07 Allowed 'General case' 0 N--CA 1.48 1.029 0 N-CA-C 113.522 0.934 . . . . 0.0 113.522 178.008 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 4.7 tt . . . . . 0 CA--C 1.537 0.47 0 CA-C-N 119.233 0.924 . . . . 0.0 109.598 163.199 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 4.9 m-30 . . . . . 0 CA--C 1.533 0.291 0 N-CA-C 116.428 2.01 . . . . 0.0 116.428 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -118.13 -64.55 1.28 Allowed 'General case' 0 CA--C 1.534 0.341 0 C-N-CA 123.601 0.761 . . . . 0.0 111.583 171.056 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -63.65 -52.71 59.54 Favored 'General case' 0 CA--C 1.538 0.494 0 O-C-N 120.926 -1.109 . . . . 0.0 111.831 177.634 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -78.82 19.39 0.52 Allowed 'General case' 0 CA--C 1.547 0.845 0 N-CA-C 113.864 1.061 . . . . 0.0 113.864 178.835 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 7' ' ' TRP . . . . . . . . . . . . . 67.4 t-105 -138.99 16.44 2.64 Favored 'General case' 0 CA--C 1.546 0.823 0 C-N-CA 125.498 1.519 . . . . 0.0 111.99 171.949 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 74.0 mtm 56.86 60.13 3.18 Favored 'General case' 0 N--CA 1.47 0.527 0 C-N-CA 125.945 1.698 . . . . 0.0 114.684 172.321 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 1.5 pt20 -58.36 46.76 0.0 OUTLIER 'General case' 0 CA--C 1.553 1.083 0 C-N-CA 129.874 3.269 . . . . 0.0 118.406 178.794 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 17.1 m 46.05 53.16 9.47 Favored 'General case' 0 N--CA 1.481 1.119 0 CA-C-N 119.822 1.192 . . . . 0.0 113.586 156.62 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 7.0 t -71.5 132.8 45.24 Favored 'General case' 0 CA--C 1.539 0.539 0 O-C-N 120.96 -1.087 . . . . 0.0 113.05 -154.039 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 77.5 m-20 -129.02 162.27 28.01 Favored 'General case' 0 CA--C 1.537 0.471 0 C-N-CA 127.742 2.417 . . . . 0.0 112.071 -179.161 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 38.2 t -59.45 -19.84 50.58 Favored 'General case' 0 N--CA 1.475 0.824 0 N-CA-C 113.884 1.068 . . . . 0.0 113.884 175.437 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 12.7 pt-20 -95.23 -9.73 32.4 Favored 'General case' 0 N--CA 1.473 0.691 0 C-N-CA 126.052 1.741 . . . . 0.0 114.478 174.248 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -83.49 132.79 34.93 Favored 'General case' 0 N--CA 1.468 0.439 0 O-C-N 121.003 -1.061 . . . . 0.0 109.87 -164.647 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 64.2 mttm -63.7 84.22 0.03 OUTLIER 'General case' 0 N--CA 1.475 0.819 0 C-N-CA 123.801 0.84 . . . . 0.0 111.684 170.509 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 44.3 t -62.09 129.6 41.58 Favored 'General case' 0 CA--C 1.54 0.583 0 C-N-CA 124.404 1.082 . . . . 0.0 109.801 -179.759 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 39.6 t -104.24 4.15 33.52 Favored 'General case' 0 CA--C 1.545 0.777 0 C-N-CA 124.351 1.06 . . . . 0.0 113.463 -152.372 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 46.7 mt-10 -123.14 -6.02 8.36 Favored 'General case' 0 N--CA 1.478 0.932 0 C-N-CA 125.061 1.344 . . . . 0.0 113.424 145.61 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 87.69 25.25 33.14 Favored Glycine 0 CA--C 1.534 1.224 0 N-CA-C 116.24 1.256 . . . . 0.0 116.24 170.315 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 20.0 ptp -152.84 152.04 31.11 Favored 'General case' 0 CA--C 1.537 0.474 0 CA-C-N 119.245 1.522 . . . . 0.0 114.687 -177.876 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . 0.342 2.0 t 52.47 58.91 0.3 Allowed 'Isoleucine or valine' 0 N--CA 1.479 0.983 0 C-N-CA 126.948 2.099 . . . . 0.0 115.491 171.147 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 51.1 t -73.52 92.94 1.95 Allowed 'General case' 0 CA--C 1.541 0.633 0 C-N-CA 125.135 1.374 . . . . 0.0 111.603 -176.873 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . 0.42 ' C ' ' H ' ' A' ' 26' ' ' TRP . 2.3 mpt_? -144.14 98.53 3.23 Favored 'General case' 0 N--CA 1.482 1.143 0 C-N-CA 125.543 1.537 . . . . 0.0 110.798 176.029 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 22.8 mt 61.43 -25.73 0.04 OUTLIER 'General case' 0 N--CA 1.482 1.126 0 C-N-CA 127.087 2.155 . . . . 0.0 114.55 -166.814 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 26' ' ' TRP . . . . . 0.42 ' H ' ' C ' ' A' ' 24' ' ' ARG . 7.8 p-90 -153.7 -171.78 4.01 Favored 'General case' 0 CA--C 1.54 0.594 0 C-N-CA 128.088 2.555 . . . . 0.0 111.298 177.812 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 74.3 m -134.31 152.83 52.03 Favored 'General case' 0 CA--C 1.537 0.461 0 C-N-CA 126.6 1.96 . . . . 0.0 108.078 167.501 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 25.1 mmtp -154.84 171.7 19.2 Favored 'General case' 0 N--CA 1.483 1.204 0 C-N-CA 127.194 2.198 . . . . 0.0 111.535 179.051 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 64.2 mttm -59.73 118.68 6.43 Favored 'General case' 0 N--CA 1.476 0.832 0 C-N-CA 124.231 1.012 . . . . 0.0 111.444 169.972 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 1.5 mmtm -147.23 10.43 0.99 Allowed 'General case' 0 N--CA 1.473 0.723 0 C-N-CA 124.642 1.177 . . . . 0.0 113.816 -173.839 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 9.9 tt . . . . . 0 CA--C 1.533 0.301 0 C-N-CA 124.591 1.156 . . . . 0.0 110.96 170.935 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 3' ' ' TYR . . . . . . . . . . . . 0.353 7.3 p90 . . . . . 0 N--CA 1.465 0.292 0 N-CA-C 116.705 2.113 . . . . 0.0 116.705 . . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 8.6 p -132.59 -12.43 3.04 Favored 'General case' 0 CA--C 1.543 0.709 0 N-CA-C 114.271 1.212 . . . . 0.0 114.271 171.382 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 2.8 tt0 -91.59 -44.83 8.82 Favored 'General case' 0 N--CA 1.472 0.649 0 O-C-N 120.913 -1.117 . . . . 0.0 110.29 168.013 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 1.7 ttpm? -87.76 21.95 2.45 Favored 'General case' 0 CA--C 1.545 0.771 0 C-N-CA 125.941 1.696 . . . . 0.0 113.405 -178.063 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 7' ' ' TRP . . . . . . . . . . . . . 0.8 OUTLIER -160.26 157.98 29.08 Favored 'General case' 0 CA--C 1.541 0.596 0 C-N-CA 125.713 1.605 . . . . 0.0 108.833 -175.209 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 27.3 mtt -83.69 77.9 9.78 Favored 'General case' 0 N--CA 1.476 0.855 0 O-C-N 121.081 -1.012 . . . . 0.0 112.58 -173.269 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -64.65 11.86 0.05 OUTLIER 'General case' 0 CA--C 1.548 0.879 0 N-CA-C 118.377 2.732 . . . . 0.0 118.377 -168.95 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 2.6 m 47.5 87.01 0.02 OUTLIER 'General case' 0 N--CA 1.476 0.854 0 C-N-CA 126.835 2.054 . . . . 0.0 114.461 177.381 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 80.1 m -72.95 46.65 0.17 Allowed 'General case' 0 CA--C 1.546 0.805 0 C-N-CA 125.957 1.703 . . . . 0.0 115.279 -173.861 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 74.2 m-20 -58.1 145.82 35.34 Favored 'General case' 0 CA--C 1.533 0.29 0 N-CA-C 114.328 1.233 . . . . 0.0 114.328 171.904 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 22.3 t -61.38 -8.41 3.96 Favored 'General case' 0 N--CA 1.477 0.892 0 N-CA-C 115.496 1.665 . . . . 0.0 115.496 -173.756 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 93.3 mt-10 -94.88 1.98 55.37 Favored 'General case' 0 N--CA 1.474 0.738 0 C-N-CA 125.405 1.482 . . . . 0.0 114.274 171.807 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -113.59 152.61 30.08 Favored 'General case' 0 N--CA 1.468 0.456 0 CA-C-O 122.738 1.256 . . . . 0.0 112.945 -169.524 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 18.3 mttm -68.62 147.93 51.2 Favored 'General case' 0 N--CA 1.468 0.45 0 C-N-CA 125.753 1.621 . . . . 0.0 112.12 161.911 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 10.1 t -79.18 137.72 37.56 Favored 'General case' 0 CA--C 1.533 0.315 0 N-CA-C 109.453 -0.573 . . . . 0.0 109.453 150.898 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 4.9 t -50.25 -44.86 53.75 Favored 'General case' 0 CA--C 1.537 0.472 0 C-N-CA 125.717 1.607 . . . . 0.0 114.665 -177.651 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 8.5 mm-40 -122.2 11.91 10.2 Favored 'General case' 0 N--CA 1.481 1.113 0 C-N-CA 124.721 1.208 . . . . 0.0 113.041 -179.347 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 72.07 14.47 76.31 Favored Glycine 0 CA--C 1.542 1.74 0 O-C-N 119.875 -1.766 . . . . 0.0 115.676 -174.237 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 11.5 mmt -67.21 178.43 1.49 Allowed 'General case' 0 CA--C 1.547 0.861 0 C-N-CA 126.244 1.817 . . . . 0.0 111.317 170.603 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 92.6 t -67.67 131.67 32.96 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.959 0 C-N-CA 124.402 1.081 . . . . 0.0 110.222 170.434 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 2.0 t -128.22 111.84 13.85 Favored 'General case' 0 CA--C 1.542 0.644 0 C-N-CA 124.316 1.046 . . . . 0.0 112.37 -166.773 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -148.49 107.06 3.78 Favored 'General case' 0 N--CA 1.481 1.076 0 C-N-CA 125.519 1.528 . . . . 0.0 110.495 169.079 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 57.7 mt 58.05 -26.41 0.02 OUTLIER 'General case' 0 N--CA 1.485 1.293 0 C-N-CA 127.254 2.222 . . . . 0.0 115.655 -165.112 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 26' ' ' TRP . . . . . . . . . . . . . 7.3 p-90 -148.05 158.99 44.36 Favored 'General case' 0 CA--C 1.536 0.433 0 C-N-CA 128.851 2.86 . . . . 0.0 110.844 179.098 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -128.04 64.06 1.39 Allowed 'General case' 0 CA--C 1.54 0.578 0 CA-C-O 121.744 0.783 . . . . 0.0 111.739 -177.33 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 35.5 tttp -55.52 -81.95 0.01 OUTLIER 'General case' 0 N--CA 1.477 0.89 0 C-N-CA 127.352 2.261 . . . . 0.0 113.153 -164.494 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 4.6 mtpp -176.21 134.53 0.25 Allowed 'General case' 0 N--CA 1.474 0.772 0 C-N-CA 128.327 2.651 . . . . 0.0 108.45 168.89 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 14.4 ttmm -164.58 39.62 0.08 Allowed 'General case' 0 N--CA 1.482 1.155 0 C-N-CA 124.14 0.976 . . . . 0.0 112.754 -178.574 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 27.7 tp . . . . . 0 N--CA 1.472 0.665 0 O-C-N 120.259 -1.526 . . . . 0.0 113.568 -166.102 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 3' ' ' TYR . . . . . . . . . . . . 0.347 1.3 p90 . . . . . 0 N--CA 1.465 0.298 0 N-CA-C 117.253 2.316 . . . . 0.0 117.253 . . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -155.62 -55.41 0.09 Allowed 'General case' 0 CA--C 1.54 0.589 0 N-CA-C 112.894 0.702 . . . . 0.0 112.894 168.834 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -61.41 -38.98 89.06 Favored 'General case' 0 N--CA 1.473 0.68 0 O-C-N 120.835 -1.166 . . . . 0.0 112.85 -175.682 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 51.1 tttt -75.85 -21.16 57.52 Favored 'General case' 0 N--CA 1.473 0.718 0 C-N-CA 124.782 1.233 . . . . 0.0 113.7 172.591 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 7' ' ' TRP . . . . . . . . . . . . . 56.9 t-105 -128.81 67.78 1.4 Allowed 'General case' 0 CA--C 1.534 0.352 0 C-N-CA 126.455 1.902 . . . . 0.0 111.216 -162.414 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 51.5 mtt 46.7 40.56 8.86 Favored 'General case' 0 CA--C 1.549 0.937 0 N-CA-C 116.176 1.917 . . . . 0.0 116.176 150.197 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -78.23 22.29 0.32 Allowed 'General case' 0 N--CA 1.472 0.641 0 N-CA-C 118.357 2.725 . . . . 0.0 118.357 -152.743 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 3.0 m 53.13 44.84 29.78 Favored 'General case' 0 N--CA 1.477 0.906 0 CA-C-N 120.162 1.347 . . . . 0.0 112.904 -179.651 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 1.8 t -70.9 120.64 16.78 Favored 'General case' 0 CA--C 1.538 0.501 0 O-C-N 121.139 -0.976 . . . . 0.0 109.322 -179.389 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 49.7 t0 -159.96 166.65 29.66 Favored 'General case' 0 CA--C 1.543 0.701 0 N-CA-C 106.786 -1.561 . . . . 0.0 106.786 -151.855 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 28.8 t -34.25 -53.61 0.5 Allowed 'General case' 0 N--CA 1.48 1.069 0 N-CA-C 117.003 2.223 . . . . 0.0 117.003 -164.725 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 29.8 tt0 -96.17 -23.46 16.73 Favored 'General case' 0 CA--C 1.542 0.639 0 N-CA-C 114.639 1.348 . . . . 0.0 114.639 179.151 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -87.07 124.58 33.39 Favored 'General case' 0 N--CA 1.465 0.318 0 O-C-N 121.44 -0.787 . . . . 0.0 111.879 -157.966 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 29.0 tptp -51.12 130.46 26.17 Favored 'General case' 0 N--CA 1.468 0.459 0 C-N-CA 126.483 1.913 . . . . 0.0 113.441 -172.033 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 41.0 t -73.68 136.61 43.8 Favored 'General case' 0 CA--C 1.535 0.377 0 N-CA-C 110.276 -0.268 . . . . 0.0 110.276 163.184 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 1.7 t -52.7 -48.39 66.61 Favored 'General case' 0 CA--C 1.542 0.646 0 C-N-CA 125.499 1.52 . . . . 0.0 114.195 -173.168 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -132.76 -1.46 3.39 Favored 'General case' 0 CA--C 1.552 1.054 0 N-CA-C 114.278 1.214 . . . . 0.0 114.278 -177.005 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 117.52 -9.11 14.98 Favored Glycine 0 CA--C 1.545 1.962 0 C-N-CA 125.831 1.682 . . . . 0.0 117.154 174.546 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -74.08 -163.42 0.18 Allowed 'General case' 0 CA--C 1.551 0.981 0 C-N-CA 126.491 1.916 . . . . 0.0 115.27 -176.278 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 39.9 t -72.77 106.84 3.08 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.847 0 C-N-CA 125.472 1.509 . . . . 0.0 113.187 -162.504 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 42.5 t -96.22 90.94 5.66 Favored 'General case' 0 CA--C 1.539 0.526 0 C-N-CA 125.739 1.616 . . . . 0.0 111.725 -167.446 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 1.5 mpt_? -145.02 78.5 1.56 Allowed 'General case' 0 N--CA 1.483 1.184 0 C-N-CA 124.796 1.238 . . . . 0.0 112.75 -178.679 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 20.5 mt 68.74 -7.79 0.7 Allowed 'General case' 0 N--CA 1.482 1.141 0 C-N-CA 126.579 1.952 . . . . 0.0 114.657 -168.993 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 26' ' ' TRP . . . . . 0.541 ' CG ' ' HE2' ' A' ' 28' ' ' LYS . 2.2 p-90 -156.49 178.32 10.45 Favored 'General case' 0 CA--C 1.539 0.527 0 C-N-CA 129.248 3.019 . . . . 0.0 110.612 176.985 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -139.2 69.29 1.37 Allowed 'General case' 0 CA--C 1.546 0.798 0 CA-C-N 120.042 1.292 . . . . 0.0 113.651 175.603 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . 0.541 ' HE2' ' CG ' ' A' ' 26' ' ' TRP . 1.5 mptp? -71.98 145.04 48.64 Favored 'General case' 0 N--CA 1.478 0.928 0 C-N-CA 125.897 1.679 . . . . 0.0 113.245 -178.446 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 36.9 tttm -68.92 119.76 13.75 Favored 'General case' 0 N--CA 1.478 0.928 0 C-N-CA 123.692 0.797 . . . . 0.0 110.87 177.645 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 60.1 tttm -160.14 80.95 0.69 Allowed 'General case' 0 N--CA 1.471 0.596 0 C-N-CA 125.059 1.344 . . . . 0.0 110.465 -173.85 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 7.5 tt . . . . . 0 N--CA 1.47 0.529 0 C-N-CA 127.186 2.194 . . . . 0.0 108.027 -179.109 . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 3' ' ' TYR . . . . . . . . . . . . 0.277 74.6 m-85 . . . . . 0 C--O 1.236 0.377 0 N-CA-C 114.144 1.164 . . . . 0.0 114.144 . . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 1.1 p -141.63 -28.6 0.64 Allowed 'General case' 0 CA--C 1.545 0.757 0 N-CA-C 115.075 1.509 . . . . 0.0 115.075 -161.99 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -90.07 -45.89 8.85 Favored 'General case' 0 N--CA 1.47 0.56 0 CA-C-N 119.77 1.168 . . . . 0.0 110.668 166.529 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 8.3 ttmt -64.97 -13.08 56.6 Favored 'General case' 0 N--CA 1.475 0.792 0 O-C-N 121.05 -1.031 . . . . 0.0 112.635 171.147 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 7' ' ' TRP . . . . . . . . . . . . . 8.1 m95 -135.6 31.31 3.11 Favored 'General case' 0 CA--C 1.542 0.657 0 C-N-CA 127.796 2.438 . . . . 0.0 114.528 -173.086 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 75.8 mtm 45.23 61.67 2.46 Favored 'General case' 0 CA--C 1.549 0.907 0 N-CA-C 116.924 2.194 . . . . 0.0 116.924 159.145 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 2.8 pt20 -66.5 25.25 0.02 OUTLIER 'General case' 0 CA--C 1.552 1.053 0 N-CA-C 119.577 3.177 . . . . 0.0 119.577 -170.804 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 6.8 m 57.96 55.11 5.52 Favored 'General case' 0 N--CA 1.486 1.357 0 CA-C-N 121.607 2.003 . . . . 0.0 113.533 170.787 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 1.3 t -84.44 80.92 9.06 Favored 'General case' 0 CA--C 1.545 0.786 0 N-CA-C 113.875 1.065 . . . . 0.0 113.875 -160.578 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 43.6 m-20 -71.24 179.21 2.96 Favored 'General case' 0 CA--C 1.555 1.141 0 C-N-CA 126.475 1.91 . . . . 0.0 115.463 166.983 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 44.5 t -54.7 -42.64 71.7 Favored 'General case' 0 N--CA 1.484 1.271 0 O-C-N 120.468 -1.395 . . . . 0.0 113.381 173.43 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 37.1 tt0 -67.84 -27.64 66.88 Favored 'General case' 0 N--CA 1.473 0.682 0 C-N-CA 124.779 1.232 . . . . 0.0 114.016 176.548 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -80.08 127.25 32.08 Favored 'General case' 0 N--CA 1.468 0.441 0 O-C-N 120.809 -1.182 . . . . 0.0 111.07 -165.447 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 16.1 mmtp -61.7 125.2 22.99 Favored 'General case' 0 N--CA 1.471 0.608 0 O-C-N 121.523 -0.735 . . . . 0.0 109.815 169.587 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 49.3 t -63.49 145.26 56.01 Favored 'General case' 0 CA--C 1.54 0.566 0 CA-C-N 118.8 0.727 . . . . 0.0 110.81 168.546 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 28.1 t -71.01 -36.99 72.64 Favored 'General case' 0 CA--C 1.542 0.673 0 C-N-CA 124.852 1.261 . . . . 0.0 113.843 -175.15 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 11.6 mt-10 -140.52 13.0 2.34 Favored 'General case' 0 N--CA 1.476 0.868 0 N-CA-C 114.471 1.286 . . . . 0.0 114.471 -164.026 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 72.3 56.08 6.49 Favored Glycine 0 CA--C 1.536 1.344 0 O-C-N 120.549 -1.344 . . . . 0.0 112.576 -175.638 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 25.4 mmt -139.07 -175.79 4.28 Favored 'General case' 0 N--CA 1.471 0.578 0 C-N-CA 126.086 1.754 . . . . 0.0 111.175 -165.54 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 47.9 t -67.81 107.4 1.13 Allowed 'Isoleucine or valine' 0 N--CA 1.478 0.929 0 CA-C-N 118.91 0.777 . . . . 0.0 111.235 179.081 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 42.3 t -86.16 93.45 9.03 Favored 'General case' 0 CA--C 1.536 0.437 0 C-N-CA 124.639 1.176 . . . . 0.0 110.087 174.64 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . 0.464 ' C ' ' H ' ' A' ' 26' ' ' TRP . 3.9 mpt_? -152.66 106.44 3.08 Favored 'General case' 0 N--CA 1.477 0.875 0 C-N-CA 126.186 1.794 . . . . 0.0 110.787 173.329 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 11.8 mt 61.22 -18.53 0.03 OUTLIER 'General case' 0 N--CA 1.484 1.274 0 N-CA-C 116.281 1.956 . . . . 0.0 116.281 -171.38 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 26' ' ' TRP . . . . . 0.464 ' H ' ' C ' ' A' ' 24' ' ' ARG . 1.6 p-90 -158.23 -177.62 6.68 Favored 'General case' 0 C--N 1.324 -0.517 0 C-N-CA 130.181 3.392 . . . . 0.0 109.321 -179.134 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 1.6 m -111.51 145.5 38.96 Favored 'General case' 0 CA--C 1.532 0.256 0 N-CA-C 108.408 -0.96 . . . . 0.0 108.408 146.589 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 67.9 mmtt -139.21 131.75 28.72 Favored 'General case' 0 N--CA 1.474 0.732 0 C-N-CA 125.518 1.527 . . . . 0.0 108.841 -179.853 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 80.1 mttt -51.93 126.45 18.27 Favored 'General case' 0 N--CA 1.477 0.918 0 CA-C-N 118.408 0.549 . . . . 0.0 112.126 -175.951 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 66.3 tttt -154.75 64.12 0.66 Allowed 'General case' 0 N--CA 1.469 0.512 0 C-N-CA 127.084 2.154 . . . . 0.0 108.946 177.675 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 1.2 mt . . . . . 0 C--N 1.326 -0.446 0 C-N-CA 125.643 1.577 . . . . 0.0 109.453 174.8 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 3' ' ' TYR . . . . . . . . . . . . 0.41 53.0 m-85 . . . . . 0 CA--C 1.539 0.553 0 N-CA-C 119.124 3.009 . . . . 0.0 119.124 . . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 4.4 p -135.85 -9.34 2.09 Favored 'General case' 0 CA--C 1.543 0.691 0 N-CA-C 116.217 1.932 . . . . 0.0 116.217 -166.871 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -108.47 -46.92 3.6 Favored 'General case' 0 N--CA 1.469 0.497 0 C-N-CA 125.653 1.581 . . . . 0.0 110.693 178.429 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 4.9 ttmm -85.59 0.73 51.69 Favored 'General case' 0 CA--C 1.536 0.42 0 C-N-CA 124.979 1.312 . . . . 0.0 113.015 173.576 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 7' ' ' TRP . . . . . . . . . . . . . 52.1 t-105 -152.31 145.22 24.43 Favored 'General case' 0 CA--C 1.537 0.468 0 C-N-CA 125.999 1.72 . . . . 0.0 108.688 -175.746 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 27.3 mtt -83.61 94.75 8.16 Favored 'General case' 0 N--CA 1.471 0.617 0 N-CA-C 113.493 0.923 . . . . 0.0 113.493 -160.464 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 2.3 pt20 -71.77 -5.19 32.31 Favored 'General case' 0 CA--C 1.545 0.75 0 N-CA-C 117.704 2.483 . . . . 0.0 117.704 -172.977 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 8.7 m 55.15 79.22 0.16 Allowed 'General case' 0 N--CA 1.482 1.145 0 CA-C-N 121.547 1.976 . . . . 0.0 112.379 -167.687 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 3.4 t -81.29 67.73 7.33 Favored 'General case' 0 CA--C 1.547 0.831 0 C-N-CA 124.034 0.934 . . . . 0.0 113.447 -173.502 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -55.13 151.0 9.84 Favored 'General case' 0 CA--C 1.539 0.526 0 C-N-CA 123.605 0.762 . . . . 0.0 112.063 159.366 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 60.0 p -64.11 -4.26 3.4 Favored 'General case' 0 N--CA 1.482 1.167 0 N-CA-C 116.13 1.9 . . . . 0.0 116.13 179.188 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 12.5 pt-20 -91.86 -9.82 41.93 Favored 'General case' 0 CA--C 1.544 0.739 0 C-N-CA 124.995 1.318 . . . . 0.0 114.194 169.731 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 14.5 ttt180 -94.9 142.23 27.71 Favored 'General case' 0 N--CA 1.472 0.665 0 CA-C-N 119.533 1.06 . . . . 0.0 112.83 -173.125 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 10.3 ptpt -48.71 97.91 0.01 OUTLIER 'General case' 0 N--CA 1.475 0.783 0 C-N-CA 126.686 1.995 . . . . 0.0 113.22 162.96 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 37.4 t -66.56 120.86 14.13 Favored 'General case' 0 CA--C 1.534 0.35 0 O-C-N 120.93 -1.106 . . . . 0.0 109.557 176.081 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 6.0 t -50.07 -48.96 52.81 Favored 'General case' 0 CA--C 1.538 0.491 0 N-CA-C 115.793 1.775 . . . . 0.0 115.793 -157.183 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 27.8 mm-40 -116.66 16.89 15.39 Favored 'General case' 0 CA--C 1.546 0.821 0 C-N-CA 125.887 1.675 . . . . 0.0 111.276 175.391 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 73.48 12.49 80.21 Favored Glycine 0 CA--C 1.534 1.241 0 N-CA-C 116.286 1.274 . . . . 0.0 116.286 -179.828 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 20.7 ptp -124.61 119.3 28.63 Favored 'General case' 0 CA--C 1.538 0.516 0 CA-C-N 119.144 1.472 . . . . 0.0 114.796 -171.069 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . 0.314 8.1 t 53.99 65.2 0.18 Allowed 'Isoleucine or valine' 0 N--CA 1.479 1.014 0 C-N-CA 127.344 2.258 . . . . 0.0 114.238 168.896 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 42.0 t -65.85 85.01 0.08 Allowed 'General case' 0 CA--C 1.538 0.487 0 C-N-CA 127.584 2.354 . . . . 0.0 111.305 175.092 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 1.5 mpt_? -135.61 87.25 2.3 Favored 'General case' 0 N--CA 1.476 0.873 0 C-N-CA 126.436 1.894 . . . . 0.0 110.212 175.939 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 23.7 mt 61.26 -18.21 0.04 OUTLIER 'General case' 0 CA--C 1.546 0.817 0 C-N-CA 127.985 2.514 . . . . 0.0 115.198 -166.017 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 26' ' ' TRP . . . . . . . . . . . . . 5.1 p-90 -156.4 -174.62 5.03 Favored 'General case' 0 CA--C 1.54 0.593 0 C-N-CA 127.645 2.378 . . . . 0.0 111.016 173.343 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 94.9 m -133.44 68.58 1.49 Allowed 'General case' 0 CA--C 1.546 0.806 0 C-N-CA 124.925 1.29 . . . . 0.0 110.84 174.174 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 13.0 tmtt? -63.39 -56.53 15.53 Favored 'General case' 0 N--CA 1.482 1.166 0 C-N-CA 126.189 1.796 . . . . 0.0 114.631 -165.97 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 9.5 mtpt 171.87 136.42 0.03 OUTLIER 'General case' 0 N--CA 1.476 0.845 0 C-N-CA 129.074 2.95 . . . . 0.0 108.036 171.092 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -161.9 34.28 0.12 Allowed 'General case' 0 N--CA 1.481 1.09 0 C-N-CA 124.674 1.19 . . . . 0.0 112.343 172.528 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 48.3 tp . . . . . 0 N--CA 1.466 0.334 0 O-C-N 120.88 -1.137 . . . . 0.0 111.552 175.728 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.47 0.956 0 CA-C-O 118.479 -1.178 . . . . 0.0 110.777 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 40.2 Cg_endo -69.02 -7.88 22.07 Favored 'Trans proline' 0 CA--C 1.535 0.541 1 C-N-CA 125.426 4.084 . . . . 0.0 116.02 -176.745 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' TYR . . . . . . . . . . . . 0.328 2.5 p90 -143.92 100.84 3.64 Favored 'General case' 0 N--CA 1.465 0.286 0 N-CA-C 115.352 1.612 . . . . 0.0 115.352 179.845 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 2.7 p -154.17 -71.79 0.13 Allowed 'General case' 0 CA--C 1.537 0.474 0 C-N-CA 123.368 0.667 . . . . 0.0 112.489 -171.325 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -61.52 -60.47 3.66 Favored 'General case' 0 N--CA 1.472 0.658 0 CA-C-N 118.801 0.728 . . . . 0.0 111.099 179.945 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 21.1 ttpp -78.87 36.21 0.27 Allowed 'General case' 0 N--CA 1.479 0.998 0 O-C-N 120.979 -1.076 . . . . 0.0 113.579 170.019 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' TRP . . . . . . . . . . . . . 11.9 t90 -144.62 10.51 1.41 Allowed 'General case' 0 CA--C 1.547 0.859 0 C-N-CA 125.445 1.498 . . . . 0.0 111.248 165.526 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' MET . . . . . . . . . . . . 0.253 38.0 mtm 59.29 57.52 3.37 Favored 'General case' 0 CA--C 1.539 0.52 0 C-N-CA 125.783 1.633 . . . . 0.0 114.19 171.641 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 4.9 pt20 -59.46 45.68 0.0 OUTLIER 'General case' 0 CA--C 1.555 1.146 0 C-N-CA 129.722 3.209 . . . . 0.0 119.262 -175.746 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 4.2 m 44.77 58.88 3.67 Favored 'General case' 0 N--CA 1.487 1.395 0 N-CA-C 115.174 1.546 . . . . 0.0 115.174 152.858 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 7.1 t -82.11 140.27 33.92 Favored 'General case' 0 CA--C 1.543 0.704 0 N-CA-C 115.125 1.528 . . . . 0.0 115.125 -158.363 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 62.3 m-20 -138.63 168.72 19.17 Favored 'General case' 0 CA--C 1.55 0.975 0 C-N-CA 129.93 3.292 . . . . 0.0 107.796 -175.577 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 44.0 t -69.92 13.0 0.16 Allowed 'General case' 0 N--CA 1.491 1.605 0 O-C-N 120.107 -1.621 . . . . 0.0 114.427 174.752 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 14.7 pt-20 -131.28 1.28 4.17 Favored 'General case' 0 CA--C 1.539 0.546 0 C-N-CA 127.57 2.348 . . . . 0.0 111.955 -179.142 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -93.25 133.9 35.99 Favored 'General case' 0 C--N 1.344 0.368 0 CA-C-O 122.389 1.09 . . . . 0.0 110.812 -171.565 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 12.2 mptt -75.44 63.91 1.52 Allowed 'General case' 0 CA--C 1.542 0.635 0 C-N-CA 127.887 2.475 . . . . 0.0 111.233 -178.279 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 42.5 t -61.67 107.26 0.79 Allowed 'General case' 0 CA--C 1.534 0.343 0 C-N-CA 126.608 1.963 . . . . 0.0 110.05 -172.073 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 59.0 m -66.89 -15.2 63.49 Favored 'General case' 0 CA--C 1.539 0.541 0 N-CA-C 114.352 1.242 . . . . 0.0 114.352 -161.506 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 70.9 mm-40 -130.03 4.1 4.87 Favored 'General case' 0 CA--C 1.544 0.722 0 N-CA-C 114.115 1.154 . . . . 0.0 114.115 177.371 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 64.76 13.44 56.29 Favored Glycine 0 CA--C 1.539 1.546 0 N-CA-C 116.533 1.373 . . . . 0.0 116.533 178.538 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 14.3 ptp -109.6 124.68 51.56 Favored 'General case' 0 N--CA 1.469 0.496 0 C-N-CA 125.956 1.702 . . . . 0.0 112.561 -170.01 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 2.9 t 49.65 70.69 0.11 Allowed 'Isoleucine or valine' 0 N--CA 1.471 0.621 0 C-N-CA 125.895 1.678 . . . . 0.0 114.71 173.832 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 35.2 t -72.93 58.11 0.46 Allowed 'General case' 0 CA--C 1.548 0.899 0 C-N-CA 124.241 1.016 . . . . 0.0 111.998 172.772 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 5.7 mpt_? -125.15 109.74 13.25 Favored 'General case' 0 N--CA 1.47 0.547 0 C-N-CA 126.446 1.899 . . . . 0.0 109.281 174.247 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 4.7 mp 57.81 -19.32 0.02 OUTLIER 'General case' 0 N--CA 1.478 0.949 0 C-N-CA 127.911 2.484 . . . . 0.0 116.724 -172.224 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 26' ' ' TRP . . . . . . . . . . . . . 0.1 OUTLIER -159.82 -159.81 0.76 Allowed 'General case' 0 CA--C 1.544 0.727 0 C-N-CA 128.846 2.858 . . . . 0.0 110.359 -177.86 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 96.5 m -131.51 123.98 29.16 Favored 'General case' 0 N--CA 1.469 0.522 0 C-N-CA 124.362 1.065 . . . . 0.0 109.098 161.116 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 8.0 mmmm -151.67 155.87 39.23 Favored 'General case' 0 N--CA 1.48 1.063 0 C-N-CA 127.551 2.34 . . . . 0.0 109.277 -170.123 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 25.2 ttpt -79.42 135.75 36.77 Favored 'General case' 0 N--CA 1.479 1.018 0 O-C-N 120.174 -1.578 . . . . 0.0 112.827 -176.892 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 16.7 ttmm -146.78 96.32 2.73 Favored 'General case' 0 N--CA 1.48 1.068 0 C-N-CA 126.719 2.007 . . . . 0.0 108.507 165.057 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 5.8 tt -154.41 142.88 20.64 Favored 'General case' 0 N--CA 1.472 0.659 0 C-N-CA 124.465 1.106 . . . . 0.0 112.933 -167.455 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 2.8 pp . . . . . 0 C--O 1.206 -1.192 0 CA-C-O 122.223 1.011 . . . . 0.0 109.07 167.481 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.469 0.859 0 N-CA-C 111.052 -0.819 . . . . 0.0 111.052 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 94.7 Cg_endo -72.89 136.66 25.55 Favored 'Trans proline' 0 N--CA 1.46 -0.482 0 C-N-CA 123.451 2.767 . . . . 0.0 112.326 -174.121 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 47.3 m-85 -64.47 135.77 56.41 Favored 'General case' 0 CA--C 1.537 0.444 0 N-CA-C 116.406 2.002 . . . . 0.0 116.406 176.041 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 1.2 p -153.78 -22.01 0.14 Allowed 'General case' 0 CA--C 1.546 0.802 0 N-CA-C 116.17 1.915 . . . . 0.0 116.17 -175.267 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -93.6 -34.68 13.22 Favored 'General case' 0 CA--C 1.537 0.468 0 C-N-CA 125.3 1.44 . . . . 0.0 110.379 164.674 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 43.6 tttm -82.8 -3.31 56.51 Favored 'General case' 0 CA--C 1.546 0.794 0 C-N-CA 124.754 1.222 . . . . 0.0 113.671 175.057 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 7' ' ' TRP . . . . . . . . . . . . . 41.8 t-105 -155.57 149.12 25.05 Favored 'General case' 0 N--CA 1.474 0.746 0 C-N-CA 126.209 1.804 . . . . 0.0 110.197 -163.724 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 33.4 mtp -71.97 88.14 1.05 Allowed 'General case' 0 N--CA 1.474 0.774 0 N-CA-C 113.587 0.958 . . . . 0.0 113.587 -178.515 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 7.7 pt20 -70.77 -4.57 24.58 Favored 'General case' 0 N--CA 1.474 0.753 0 N-CA-C 115.558 1.688 . . . . 0.0 115.558 179.735 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 2.9 m 50.46 66.88 1.03 Allowed 'General case' 0 N--CA 1.477 0.879 0 C-N-CA 125.253 1.421 . . . . 0.0 111.406 -166.1 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 2.0 t -69.75 81.6 0.44 Allowed 'General case' 0 CA--C 1.541 0.612 0 C-N-CA 124.96 1.304 . . . . 0.0 111.502 -178.959 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 14.2 m-20 -70.28 145.56 51.2 Favored 'General case' 0 CA--C 1.536 0.441 0 C-N-CA 125.629 1.572 . . . . 0.0 113.878 157.02 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 21.2 t -72.93 19.17 0.09 Allowed 'General case' 0 N--CA 1.482 1.141 0 N-CA-C 115.857 1.799 . . . . 0.0 115.857 -172.118 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 15.9 pt-20 -105.34 -6.58 19.49 Favored 'General case' 0 N--CA 1.475 0.781 0 C-N-CA 125.986 1.714 . . . . 0.0 112.633 164.564 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 8.3 ttt180 -95.74 152.12 18.76 Favored 'General case' 0 N--CA 1.466 0.343 0 C-N-CA 125.09 1.356 . . . . 0.0 112.863 -165.835 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 4.8 ptpp? -64.23 93.01 0.09 Allowed 'General case' 0 CA--C 1.538 0.485 0 C-N-CA 125.194 1.397 . . . . 0.0 110.879 158.519 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 10.5 t -56.93 135.16 56.04 Favored 'General case' 0 CA--C 1.532 0.262 0 C-N-CA 124.007 0.923 . . . . 0.0 109.634 163.64 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 0.9 OUTLIER -50.52 -49.29 56.09 Favored 'General case' 0 CA--C 1.54 0.567 0 N-CA-C 115.78 1.77 . . . . 0.0 115.78 -164.882 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 15.1 mm-40 -107.48 -10.6 15.68 Favored 'General case' 0 N--CA 1.479 0.977 0 C-N-CA 123.61 0.764 . . . . 0.0 112.803 177.061 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 95.04 20.29 28.56 Favored Glycine 0 CA--C 1.535 1.341 0 C-N-CA 125.213 1.387 . . . . 0.0 116.041 -174.932 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -76.75 179.87 5.8 Favored 'General case' 0 CA--C 1.547 0.855 0 CA-C-N 119.005 1.403 . . . . 0.0 113.01 168.214 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -65.93 114.78 3.36 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.76 0 CA-C-O 122.351 1.072 . . . . 0.0 109.275 -179.094 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 41.8 t -76.21 117.88 18.36 Favored 'General case' 0 CA--C 1.544 0.729 0 C-N-CA 127.314 2.245 . . . . 0.0 111.832 -175.572 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . 0.402 ' C ' ' H ' ' A' ' 26' ' ' TRP . 2.6 mpt_? -147.15 82.64 1.55 Allowed 'General case' 0 N--CA 1.489 1.478 0 C-N-CA 125.03 1.332 . . . . 0.0 112.063 174.792 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 78.8 mt 59.71 -14.11 0.03 OUTLIER 'General case' 0 N--CA 1.484 1.264 0 C-N-CA 126.723 2.009 . . . . 0.0 115.76 -172.297 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 26' ' ' TRP . . . . . 0.402 ' H ' ' C ' ' A' ' 24' ' ' ARG . 1.8 p-90 -151.31 175.9 11.77 Favored 'General case' 0 C--N 1.322 -0.619 0 C-N-CA 127.959 2.504 . . . . 0.0 110.226 170.875 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 29.5 m -120.98 42.42 3.05 Favored 'General case' 0 CA--C 1.541 0.599 0 C-N-CA 124.217 1.007 . . . . 0.0 110.308 160.817 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 62.2 tttm -44.1 -57.99 3.09 Favored 'General case' 0 N--CA 1.473 0.705 0 C-N-CA 129.967 3.307 . . . . 0.0 113.322 -168.526 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 4.6 ttmm -166.77 149.96 6.76 Favored 'General case' 0 N--CA 1.474 0.74 0 C-N-CA 125.063 1.345 . . . . 0.0 109.861 139.078 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 2.4 tmtp? -158.31 69.99 0.53 Allowed 'General case' 0 N--CA 1.479 1.007 0 C-N-CA 124.6 1.16 . . . . 0.0 110.504 166.951 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 3.3 tm? -153.43 120.45 5.74 Favored 'General case' 0 N--CA 1.466 0.358 0 C-N-CA 124.334 1.053 . . . . 0.0 109.198 171.05 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . 0.41 HD22 ' OXT' ' A' ' 32' ' ' LEU . 0.0 OUTLIER . . . . . 0 C--O 1.211 -0.922 0 CA-C-O 121.645 0.736 . . . . 0.0 112.066 -172.934 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.472 1.074 0 CA-C-O 118.418 -1.212 . . . . 0.0 110.293 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 59.5 Cg_endo -65.64 -19.63 59.95 Favored 'Trans proline' 0 CA--C 1.54 0.793 0 C-N-CA 124.122 3.215 . . . . 0.0 114.503 -176.308 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 96.9 m-85 -129.27 176.45 7.92 Favored 'General case' 0 CA--C 1.537 0.46 0 C-N-CA 126.011 1.724 . . . . 0.0 110.402 174.875 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . 0.257 0.7 OUTLIER -124.3 -64.06 1.15 Allowed 'General case' 0 CA--C 1.539 0.524 0 N-CA-C 113.132 0.79 . . . . 0.0 113.132 175.001 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -59.56 -54.03 51.25 Favored 'General case' 0 N--CA 1.47 0.553 0 C-N-CA 123.765 0.826 . . . . 0.0 111.433 175.267 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 29.2 tttm -72.23 7.94 1.53 Allowed 'General case' 0 N--CA 1.472 0.649 0 C-N-CA 125.359 1.464 . . . . 0.0 113.931 178.061 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 7' ' ' TRP . . . . . . . . . . . . . 60.9 t-105 -126.13 -4.21 6.85 Favored 'General case' 0 N--CA 1.469 0.517 0 C-N-CA 125.658 1.583 . . . . 0.0 113.313 -171.655 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 59.3 mtm 57.25 56.59 5.04 Favored 'General case' 0 N--CA 1.473 0.685 0 O-C-N 121.507 -0.746 . . . . 0.0 112.462 -174.123 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 6.3 pt20 -58.63 33.85 0.01 OUTLIER 'General case' 0 CA--C 1.553 1.062 0 C-N-CA 129.459 3.104 . . . . 0.0 118.291 -177.393 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER 52.21 54.39 10.84 Favored 'General case' 0 N--CA 1.475 0.814 0 C-N-CA 125.176 1.39 . . . . 0.0 111.947 170.957 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -75.82 68.48 2.37 Favored 'General case' 0 CA--C 1.543 0.698 0 C-N-CA 126.642 1.977 . . . . 0.0 113.089 -160.903 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 21.5 m-20 -65.02 176.96 1.08 Allowed 'General case' 0 CA--C 1.544 0.723 0 C-N-CA 128.724 2.809 . . . . 0.0 117.285 173.86 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 37.1 t -60.09 -29.11 68.36 Favored 'General case' 0 N--CA 1.478 0.942 0 N-CA-C 114.51 1.3 . . . . 0.0 114.51 -177.901 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 6.9 tp10 -78.82 -26.33 44.22 Favored 'General case' 0 CA--C 1.542 0.642 0 CA-C-N 120.407 1.458 . . . . 0.0 112.536 173.519 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -85.56 107.98 17.74 Favored 'General case' 0 N--CA 1.463 0.207 0 CA-C-O 121.617 0.722 . . . . 0.0 112.003 -136.12 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 18.0 ptmt -40.43 100.87 0.02 OUTLIER 'General case' 0 N--CA 1.471 0.612 0 C-N-CA 127.808 2.443 . . . . 0.0 113.617 172.245 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 28.2 t -72.05 130.62 41.35 Favored 'General case' 0 CA--C 1.534 0.358 0 O-C-N 121.371 -0.831 . . . . 0.0 110.59 173.66 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -36.06 -51.03 0.73 Allowed 'General case' 0 CA--C 1.545 0.776 0 C-N-CA 128.777 2.831 . . . . 0.0 113.596 176.883 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 3.1 mm-40 -113.36 -1.5 14.21 Favored 'General case' 0 N--CA 1.474 0.77 0 C-N-CA 125.502 1.521 . . . . 0.0 113.054 -178.377 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 71.4 23.2 78.33 Favored Glycine 0 CA--C 1.535 1.334 0 O-C-N 120.497 -1.377 . . . . 0.0 115.997 -174.459 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 30.6 mmt -70.31 -177.13 1.35 Allowed 'General case' 0 N--CA 1.475 0.802 0 CA-C-N 119.387 1.594 . . . . 0.0 111.082 171.067 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 65.3 t -52.45 114.12 0.43 Allowed 'Isoleucine or valine' 0 N--CA 1.472 0.645 0 C-N-CA 125.144 1.377 . . . . 0.0 110.526 170.099 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 40.7 t -109.83 110.96 22.11 Favored 'General case' 0 C--O 1.237 0.396 0 C-N-CA 125.604 1.561 . . . . 0.0 109.357 -176.574 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 2.0 mpt_? -156.31 95.21 1.57 Allowed 'General case' 0 N--CA 1.481 1.085 0 C-N-CA 127.268 2.227 . . . . 0.0 109.411 171.996 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 18.9 mt 66.6 -32.66 0.18 Allowed 'General case' 0 N--CA 1.486 1.355 0 C-N-CA 126.832 2.053 . . . . 0.0 114.827 -171.656 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 26' ' ' TRP . . . . . . . . . . . . . 10.0 p-90 -140.02 174.42 10.53 Favored 'General case' 0 CA--C 1.538 0.506 0 C-N-CA 127.594 2.358 . . . . 0.0 111.769 170.827 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 8.9 t -153.23 80.0 1.18 Allowed 'General case' 0 CA--C 1.545 0.786 0 C-N-CA 123.793 0.837 . . . . 0.0 111.397 -178.191 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 1.2 mptm? -80.17 -84.62 0.09 Allowed 'General case' 0 N--CA 1.481 1.111 0 C-N-CA 124.38 1.072 . . . . 0.0 113.759 -171.705 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -162.45 137.04 6.7 Favored 'General case' 0 N--CA 1.472 0.666 0 C-N-CA 125.034 1.333 . . . . 0.0 109.941 177.831 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 4.6 tptt -163.85 44.47 0.11 Allowed 'General case' 0 N--CA 1.472 0.666 0 C-N-CA 124.644 1.178 . . . . 0.0 111.978 -179.564 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 24.8 tp -153.87 158.62 41.06 Favored 'General case' 0 N--CA 1.47 0.57 0 C-N-CA 124.384 1.074 . . . . 0.0 111.29 178.427 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 4.7 mp . . . . . 0 C--O 1.209 -1.04 0 N-CA-C 106.573 -1.64 . . . . 0.0 106.573 171.475 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.471 1.029 0 CA-C-O 119.158 -0.801 . . . . 0.0 112.37 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 25.4 Cg_endo -92.1 -1.59 4.16 Favored 'Trans proline' 0 CA--C 1.538 0.712 0 C-N-CA 124.526 3.484 . . . . 0.0 114.215 -169.78 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 3' ' ' TYR . . . . . . . . . . . . 0.407 0.9 OUTLIER -111.58 73.28 0.81 Allowed 'General case' 0 N--CA 1.463 0.179 0 C-N-CA 126.438 1.895 . . . . 0.0 115.02 -179.647 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -130.13 -58.87 1.06 Allowed 'General case' 0 CA--C 1.535 0.385 0 N-CA-C 113.526 0.935 . . . . 0.0 113.526 -170.882 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -64.26 -24.08 67.53 Favored 'General case' 0 CA--C 1.546 0.812 0 C-N-CA 125.503 1.521 . . . . 0.0 112.2 165.698 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 13.4 mmtt -77.96 -14.55 59.49 Favored 'General case' 0 CA--C 1.538 0.518 0 C-N-CA 127.465 2.306 . . . . 0.0 115.855 168.346 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 7' ' ' TRP . . . . . . . . . . . . . 26.7 t-105 -155.37 35.57 0.37 Allowed 'General case' 0 N--CA 1.477 0.91 0 CA-C-N 120.523 1.51 . . . . 0.0 114.992 -164.228 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 76.2 mtm 48.03 57.28 6.24 Favored 'General case' 0 CA--C 1.545 0.781 0 N-CA-C 115.048 1.499 . . . . 0.0 115.048 168.573 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 14.8 pt20 -60.04 8.22 0.02 OUTLIER 'General case' 0 N--CA 1.48 1.028 0 N-CA-C 118.971 2.952 . . . . 0.0 118.971 -161.352 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 9.8 m 56.36 74.22 0.41 Allowed 'General case' 0 N--CA 1.473 0.713 0 CA-C-N 120.172 1.351 . . . . 0.0 111.15 -161.528 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -76.16 72.33 2.95 Favored 'General case' 0 CA--C 1.538 0.499 0 O-C-N 121.303 -0.873 . . . . 0.0 111.644 172.426 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 72.3 m-20 -58.19 162.44 3.52 Favored 'General case' 0 CA--C 1.54 0.59 0 CA-C-N 114.968 -1.015 . . . . 0.0 110.892 153.264 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 5.4 t -56.59 -33.0 65.77 Favored 'General case' 0 N--CA 1.477 0.881 0 O-C-N 120.868 -1.145 . . . . 0.0 113.826 173.524 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 92.1 mt-10 -79.55 -4.78 52.97 Favored 'General case' 0 CA--C 1.546 0.809 0 N-CA-C 113.952 1.093 . . . . 0.0 113.952 175.86 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -82.24 132.78 35.23 Favored 'General case' 0 N--CA 1.469 0.482 0 O-C-N 120.327 -1.483 . . . . 0.0 111.472 -177.183 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 22.3 mtpp -70.92 94.26 1.05 Allowed 'General case' 0 N--CA 1.467 0.419 0 C-N-CA 124.327 1.051 . . . . 0.0 110.997 166.583 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 52.9 t -61.34 126.34 26.99 Favored 'General case' 0 CA--C 1.534 0.351 0 C-N-CA 123.342 0.657 . . . . 0.0 110.418 179.939 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -40.15 -50.7 2.67 Favored 'General case' 0 N--CA 1.471 0.59 0 C-N-CA 126.238 1.815 . . . . 0.0 113.962 -169.621 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -127.46 15.13 7.13 Favored 'General case' 0 CA--C 1.553 1.072 0 C-N-CA 125.303 1.441 . . . . 0.0 112.007 175.79 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 70.04 -12.4 1.69 Allowed Glycine 0 CA--C 1.543 1.807 0 O-C-N 119.838 -1.788 . . . . 0.0 116.836 -170.39 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 21' ' ' MET . . . . . 0.463 ' SD ' ' HA ' ' A' ' 29' ' ' LYS . 8.3 ptp -67.46 107.82 2.59 Favored 'General case' 0 CA--C 1.544 0.719 0 O-C-N 120.549 -1.56 . . . . 0.0 114.363 178.197 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . 0.311 1.0 OUTLIER 68.62 48.0 0.11 Allowed 'Isoleucine or valine' 0 N--CA 1.479 1.025 0 N-CA-C 118.113 2.635 . . . . 0.0 118.113 171.156 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 49.9 t -69.18 84.78 0.36 Allowed 'General case' 0 N--CA 1.477 0.88 0 CA-C-N 120.422 1.464 . . . . 0.0 113.537 -179.579 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -145.04 87.69 1.84 Allowed 'General case' 0 N--CA 1.478 0.964 0 C-N-CA 126.668 1.987 . . . . 0.0 110.096 175.384 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 44.1 mt 62.72 -18.45 0.05 OUTLIER 'General case' 0 N--CA 1.482 1.152 0 C-N-CA 126.655 1.982 . . . . 0.0 115.465 -167.624 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 26' ' ' TRP . . . . . . . . . . . . . 3.4 p-90 -151.28 -166.55 2.56 Favored 'General case' 0 C--N 1.326 -0.452 0 C-N-CA 126.294 1.838 . . . . 0.0 110.975 172.821 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 94.7 m -142.0 136.77 30.61 Favored 'General case' 0 CA--C 1.539 0.532 0 C-N-CA 125.547 1.539 . . . . 0.0 108.378 173.667 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 3.6 tmtm? -120.16 -97.14 0.46 Allowed 'General case' 0 N--CA 1.482 1.164 0 C-N-CA 124.086 0.954 . . . . 0.0 112.145 -168.731 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . 0.463 ' HA ' ' SD ' ' A' ' 21' ' ' MET . 39.9 tttm -164.64 131.55 3.06 Favored 'General case' 0 N--CA 1.477 0.917 0 C-N-CA 125.902 1.681 . . . . 0.0 109.724 176.588 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -155.26 32.45 0.38 Allowed 'General case' 0 N--CA 1.483 1.201 0 N-CA-C 116.662 2.097 . . . . 0.0 116.662 -166.896 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 4.2 mm? -113.78 164.82 13.23 Favored 'General case' 0 N--CA 1.467 0.402 0 C-N-CA 125.302 1.441 . . . . 0.0 109.613 166.396 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 85.2 mt . . . . . 0 C--O 1.213 -0.865 0 CA-C-O 123.667 1.698 . . . . 0.0 108.575 -169.45 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.473 1.155 0 CA-C-O 118.438 -1.201 . . . . 0.0 110.578 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 6.0 Cg_endo -104.05 -123.79 0.0 OUTLIER 'Trans proline' 0 CA--C 1.542 0.897 0 C-N-CA 124.653 3.569 . . . . 0.0 109.907 -172.813 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 3' ' ' TYR . . . . . . . . . . . . 0.388 71.3 m-85 61.28 34.94 18.37 Favored 'General case' 0 N--CA 1.468 0.468 0 N-CA-C 117.653 2.464 . . . . 0.0 117.653 173.386 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 0.9 OUTLIER -128.77 -54.39 1.23 Allowed 'General case' 0 CA--C 1.548 0.88 0 N-CA-C 116.168 1.914 . . . . 0.0 116.168 -162.835 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -63.1 -27.79 69.63 Favored 'General case' 0 N--CA 1.479 0.991 0 O-C-N 120.239 -1.538 . . . . 0.0 113.095 178.943 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 75.3 tttt -76.46 -18.59 58.7 Favored 'General case' 0 CA--C 1.542 0.67 0 C-N-CA 124.058 0.943 . . . . 0.0 113.42 173.576 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 7' ' ' TRP . . . . . . . . . . . . . 8.4 t-105 -152.05 52.42 0.8 Allowed 'General case' 0 CA--C 1.556 1.188 0 CA-C-N 119.643 1.11 . . . . 0.0 113.433 -144.354 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 62.3 mtt 50.56 45.51 26.59 Favored 'General case' 0 N--CA 1.49 1.571 0 N-CA-C 116.298 1.962 . . . . 0.0 116.298 161.093 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -70.72 24.96 0.04 OUTLIER 'General case' 0 CA--C 1.549 0.94 0 N-CA-C 119.927 3.306 . . . . 0.0 119.927 -160.164 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 16.4 m 44.55 57.13 4.63 Favored 'General case' 0 N--CA 1.48 1.049 0 C-N-CA 124.961 1.304 . . . . 0.0 113.474 174.195 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 5.2 t -75.86 80.61 2.77 Favored 'General case' 0 CA--C 1.54 0.575 0 C-N-CA 125.457 1.503 . . . . 0.0 112.341 -173.986 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 52.5 m-20 -66.63 166.1 13.52 Favored 'General case' 0 CA--C 1.543 0.689 0 N-CA-C 116.1 1.889 . . . . 0.0 116.1 164.469 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 26.8 t -59.16 -33.65 71.16 Favored 'General case' 0 N--CA 1.477 0.894 0 N-CA-C 115.232 1.567 . . . . 0.0 115.232 -177.816 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 25.4 mm-40 -74.45 -23.38 58.9 Favored 'General case' 0 N--CA 1.477 0.902 0 O-C-N 120.627 -1.296 . . . . 0.0 114.276 170.735 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -92.24 134.87 34.48 Favored 'General case' 0 N--CA 1.463 0.188 0 C-N-CA 123.789 0.835 . . . . 0.0 111.958 -149.669 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 20.6 ptmt -63.69 129.09 38.7 Favored 'General case' 0 N--CA 1.468 0.463 0 C-N-CA 123.725 0.81 . . . . 0.0 111.287 -177.946 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 48.0 t -95.52 124.93 39.79 Favored 'General case' 0 CA--C 1.533 0.323 0 C-N-CA 123.794 0.838 . . . . 0.0 109.811 178.141 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -48.38 -56.04 9.2 Favored 'General case' 0 CA--C 1.539 0.527 0 N-CA-C 114.919 1.452 . . . . 0.0 114.919 -156.368 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 1.7 mm-40 -111.47 27.72 9.41 Favored 'General case' 0 N--CA 1.478 0.927 0 C-N-CA 124.955 1.302 . . . . 0.0 110.592 174.262 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 61.68 31.01 76.43 Favored Glycine 0 CA--C 1.535 1.329 0 O-C-N 120.039 -1.663 . . . . 0.0 113.328 -170.692 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 19.0 mmt -80.64 -157.27 0.15 Allowed 'General case' 0 CA--C 1.547 0.844 0 C-N-CA 126.152 1.781 . . . . 0.0 113.231 -173.374 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 2.5 t -71.24 74.49 0.17 Allowed 'Isoleucine or valine' 0 CA--C 1.54 0.586 0 C-N-CA 126.443 1.897 . . . . 0.0 114.866 -176.489 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 41.9 t -66.05 91.37 0.15 Allowed 'General case' 0 CA--C 1.549 0.916 0 N-CA-C 114.184 1.179 . . . . 0.0 114.184 -176.689 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 2.6 mpt_? -148.9 87.07 1.53 Allowed 'General case' 0 N--CA 1.483 1.197 0 C-N-CA 126.889 2.076 . . . . 0.0 109.499 165.52 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 77.7 mt 59.97 -67.89 0.04 OUTLIER 'General case' 0 N--CA 1.479 1.011 0 C-N-CA 126.252 1.821 . . . . 0.0 112.896 -161.449 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 26' ' ' TRP . . . . . . . . . . . . . 0.5 OUTLIER -70.8 169.94 13.56 Favored 'General case' 0 CA--C 1.54 0.56 0 O-C-N 120.601 -1.312 . . . . 0.0 113.444 167.391 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 17.0 m -134.54 50.4 2.18 Favored 'General case' 0 N--CA 1.467 0.408 0 C-N-CA 126.635 1.974 . . . . 0.0 109.175 164.466 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 27.9 pttt -57.83 146.52 31.43 Favored 'General case' 0 N--CA 1.469 0.479 0 C-N-CA 125.72 1.608 . . . . 0.0 111.745 -179.54 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 40.9 mtpt -56.05 112.84 1.31 Allowed 'General case' 0 N--CA 1.469 0.494 0 C-N-CA 124.226 1.01 . . . . 0.0 112.279 177.076 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 10.1 tmtt? -154.47 82.78 1.11 Allowed 'General case' 0 N--CA 1.474 0.743 0 C-N-CA 125.439 1.496 . . . . 0.0 109.104 165.16 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 7.0 tt -143.26 135.98 27.58 Favored 'General case' 0 C--N 1.329 -0.283 0 C-N-CA 124.82 1.248 . . . . 0.0 109.862 175.495 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 91.1 mt . . . . . 0 C--O 1.206 -1.22 0 O-C-N 121.604 -0.685 . . . . 0.0 109.282 -175.998 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.468 0.783 0 N-CA-C 110.449 -1.061 . . . . 0.0 110.449 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 91.9 Cg_endo -75.58 -164.13 0.23 Allowed 'Trans proline' 0 CA--C 1.546 1.092 0 C-N-CA 124.298 3.332 . . . . 0.0 113.546 -172.569 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 3' ' ' TYR . . . . . . . . . . . . 0.458 45.6 m-85 64.21 63.19 0.8 Allowed 'General case' 0 N--CA 1.465 0.301 0 N-CA-C 118.103 2.631 . . . . 0.0 118.103 -179.527 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -128.16 -72.11 0.63 Allowed 'General case' 0 CA--C 1.536 0.423 0 C-N-CA 124.109 0.964 . . . . 0.0 111.717 179.471 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -54.43 -44.83 72.8 Favored 'General case' 0 N--CA 1.474 0.766 0 O-C-N 121.102 -0.999 . . . . 0.0 111.974 179.375 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 45.7 tttm -62.95 -16.14 58.27 Favored 'General case' 0 CA--C 1.544 0.714 0 N-CA-C 115.16 1.541 . . . . 0.0 115.16 -179.489 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 7' ' ' TRP . . . . . . . . . . . . . 17.1 t90 -141.31 9.2 2.06 Favored 'General case' 0 CA--C 1.547 0.852 0 N-CA-C 113.66 0.985 . . . . 0.0 113.66 -160.506 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 8' ' ' MET . . . . . . . . . . . . 0.276 86.7 mtp 67.14 -15.33 0.16 Allowed 'General case' 0 N--CA 1.481 1.087 0 N-CA-C 117.992 2.59 . . . . 0.0 117.992 167.395 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 9' ' ' GLN . . . . . 0.407 ' OE1' ' SG ' ' A' ' 17' ' ' CYS . 0.0 OUTLIER 57.17 -6.69 0.03 OUTLIER 'General case' 0 N--CA 1.486 1.36 1 N-CA-C 122.854 4.39 . . . . 0.0 122.854 132.739 . . . . . . . . 4 4 . 1 . 006 nuclear orig full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER 54.5 66.62 1.18 Allowed 'General case' 0 N--CA 1.478 0.927 0 CA-C-N 120.361 1.437 . . . . 0.0 111.596 -175.712 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 51.7 t -73.15 53.65 0.38 Allowed 'General case' 0 CA--C 1.55 0.973 0 O-C-N 119.916 -1.74 . . . . 0.0 114.289 -179.502 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 70.5 m-20 -56.36 165.74 1.01 Allowed 'General case' 0 CA--C 1.539 0.532 0 N-CA-C 115.611 1.708 . . . . 0.0 115.611 167.96 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 16.0 t -60.51 -13.78 15.85 Favored 'General case' 0 CA--C 1.542 0.67 0 C-N-CA 125.513 1.525 . . . . 0.0 114.219 -178.888 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 91.2 mt-10 -109.21 3.69 22.04 Favored 'General case' 0 N--CA 1.476 0.856 0 C-N-CA 125.822 1.649 . . . . 0.0 113.444 179.414 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 2.0 mmt85 -103.57 149.77 24.57 Favored 'General case' 0 N--CA 1.472 0.649 0 C-N-CA 126.571 1.949 . . . . 0.0 112.429 -175.528 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 10.4 pttm -60.14 163.53 4.8 Favored 'General case' 0 N--CA 1.474 0.755 0 CA-C-O 121.673 0.749 . . . . 0.0 110.186 160.541 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 17' ' ' CYS . . . . . 0.407 ' SG ' ' OE1' ' A' ' 9' ' ' GLN . 0.6 OUTLIER -139.69 29.91 2.11 Favored 'General case' 0 CA--C 1.543 0.693 0 N-CA-C 115.693 1.738 . . . . 0.0 115.693 175.125 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 1.8 m 60.23 -78.07 0.02 OUTLIER 'General case' 0 N--CA 1.469 0.516 0 C-N-CA 128.186 2.594 . . . . 0.0 113.65 -175.243 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -104.69 -175.12 2.7 Favored 'General case' 0 CA--C 1.551 1.002 0 C-N-CA 125.359 1.464 . . . . 0.0 111.854 177.571 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -80.55 1.64 81.59 Favored Glycine 0 CA--C 1.538 1.491 0 O-C-N 120.706 -1.246 . . . . 0.0 114.435 169.966 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 38.8 mmt -53.22 157.89 1.76 Allowed 'General case' 0 N--CA 1.466 0.366 0 C-N-CA 126.421 1.888 . . . . 0.0 113.863 178.506 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 30.1 t -45.95 119.85 0.53 Allowed 'Isoleucine or valine' 0 N--CA 1.471 0.617 0 C-N-CA 124.923 1.289 . . . . 0.0 112.026 -178.493 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 23' ' ' CYS . . . . . 0.4 ' HB2' ' SG ' ' A' ' 27' ' ' CYS . 43.9 t -106.09 109.21 21.08 Favored 'General case' 0 CA--C 1.538 0.498 0 C-N-CA 123.243 0.617 . . . . 0.0 111.687 171.596 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 1.8 mpt_? -140.44 108.25 5.67 Favored 'General case' 0 N--CA 1.471 0.621 0 C-N-CA 125.107 1.363 . . . . 0.0 108.845 157.805 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 3.9 mp 61.07 -38.57 0.1 Allowed 'General case' 0 N--CA 1.483 1.192 0 C-N-CA 127.478 2.311 . . . . 0.0 115.595 -161.688 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 26' ' ' TRP . . . . . . . . . . . . . 2.4 p-90 -115.68 -161.2 0.78 Allowed 'General case' 0 N--CA 1.471 0.619 0 C-N-CA 126.218 1.807 . . . . 0.0 113.752 -176.294 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 27' ' ' CYS . . . . . 0.4 ' SG ' ' HB2' ' A' ' 23' ' ' CYS . 1.4 m -135.53 134.93 39.97 Favored 'General case' 0 C--N 1.328 -0.363 0 O-C-N 118.798 -2.439 . . . . 0.0 107.863 141.965 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 67.2 mmtt -148.01 148.32 30.59 Favored 'General case' 0 N--CA 1.472 0.647 0 C-N-CA 124.026 0.931 . . . . 0.0 112.366 -174.43 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 35.3 mttt -76.24 104.58 6.83 Favored 'General case' 0 N--CA 1.467 0.387 0 N-CA-C 113.397 0.888 . . . . 0.0 113.397 -160.437 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 31.1 tttt -148.96 108.86 4.05 Favored 'General case' 0 N--CA 1.468 0.475 0 C-N-CA 126.529 1.932 . . . . 0.0 108.302 167.206 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 6.3 tp -148.37 30.36 0.84 Allowed 'General case' 0 N--CA 1.474 0.773 0 C-N-CA 124.489 1.116 . . . . 0.0 112.067 179.612 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--O 1.213 -0.853 0 CA-C-O 123.611 1.672 . . . . 0.0 110.498 -173.188 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.472 1.079 0 N-CA-C 108.675 -1.77 . . . . 0.0 108.675 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 55.4 Cg_endo -66.28 179.4 2.0 Allowed 'Trans proline' 0 CA--C 1.539 0.757 0 CA-C-N 118.419 1.11 . . . . 0.0 110.623 146.403 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 86.5 m-85 -112.06 -149.34 0.44 Allowed 'General case' 0 CA--C 1.539 0.531 0 C-N-CA 125.333 1.453 . . . . 0.0 110.563 158.684 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 0.9 OUTLIER -146.98 -51.87 0.21 Allowed 'General case' 0 CA--C 1.539 0.522 0 CA-C-N 120.927 1.694 . . . . 0.0 114.29 175.103 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 1.7 pm0 -66.81 -29.82 69.86 Favored 'General case' 0 CA--C 1.536 0.424 0 C-N-CA 125.832 1.653 . . . . 0.0 112.296 167.954 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 75.4 tttt -103.57 9.51 37.42 Favored 'General case' 0 CA--C 1.542 0.641 0 C-N-CA 126.856 2.062 . . . . 0.0 112.519 177.675 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 7' ' ' TRP . . . . . . . . . . . . . 1.1 t-105 -141.91 3.74 1.63 Allowed 'General case' 0 N--CA 1.479 0.979 0 C-N-CA 124.486 1.114 . . . . 0.0 112.425 -170.861 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 56.8 mtt 57.18 57.65 4.39 Favored 'General case' 0 CA--C 1.542 0.671 0 C-N-CA 126.773 2.029 . . . . 0.0 115.401 169.922 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -65.72 38.03 0.02 OUTLIER 'General case' 0 CA--C 1.56 1.358 0 N-CA-C 117.989 2.589 . . . . 0.0 117.989 -174.395 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 14.3 m 46.23 57.92 4.91 Favored 'General case' 0 N--CA 1.492 1.654 0 CA-C-N 121.107 1.776 . . . . 0.0 113.056 171.806 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 1.5 t -77.9 87.06 4.1 Favored 'General case' 0 CA--C 1.54 0.565 0 C-N-CA 123.968 0.907 . . . . 0.0 111.891 -166.568 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 12.8 m-20 -107.13 -169.86 1.61 Allowed 'General case' 0 CA--C 1.547 0.84 0 C-N-CA 127.374 2.269 . . . . 0.0 109.779 -178.858 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 45.0 t -50.7 -42.09 56.66 Favored 'General case' 0 N--CA 1.479 1.023 0 N-CA-C 114.608 1.336 . . . . 0.0 114.608 177.915 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 77.8 mm-40 -92.08 -7.26 49.18 Favored 'General case' 0 N--CA 1.469 0.508 0 N-CA-C 114.708 1.373 . . . . 0.0 114.708 -175.067 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 4.9 mmt85 -86.56 149.33 25.02 Favored 'General case' 0 N--CA 1.473 0.713 0 CA-C-N 119.805 1.184 . . . . 0.0 112.679 -177.132 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 58.3 mttp -98.27 106.02 18.24 Favored 'General case' 0 N--CA 1.468 0.441 0 C-N-CA 126.201 1.801 . . . . 0.0 109.602 -175.535 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 8.0 t -70.65 91.43 0.81 Allowed 'General case' 0 CA--C 1.538 0.517 0 C-N-CA 123.186 0.594 . . . . 0.0 111.092 -168.978 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 5.7 t 11.58 -69.12 0.0 OUTLIER 'General case' 0 CA--C 1.537 0.45 0 C-N-CA 131.392 3.877 . . . . 0.0 117.719 166.624 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 88.2 mt-10 -131.89 32.17 4.11 Favored 'General case' 0 N--CA 1.469 0.507 0 C-N-CA 126.362 1.865 . . . . 0.0 111.623 -171.662 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 65.55 26.12 71.77 Favored Glycine 0 CA--C 1.534 1.228 0 O-C-N 121.452 -0.78 . . . . 0.0 114.434 177.161 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 18.6 mmt -87.31 -171.55 3.53 Favored 'General case' 0 CA--C 1.545 0.76 0 C-N-CA 125.176 1.391 . . . . 0.0 111.707 -176.927 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 58.0 t -64.58 131.7 30.34 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.701 0 C-N-CA 124.732 1.213 . . . . 0.0 109.464 172.147 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 33.8 t -111.6 82.0 1.54 Allowed 'General case' 0 CA--C 1.54 0.559 0 C-N-CA 124.592 1.157 . . . . 0.0 111.201 -178.172 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . 0.401 ' C ' ' H ' ' A' ' 26' ' ' TRP . 4.1 mpt_? -135.09 104.17 5.83 Favored 'General case' 0 N--CA 1.476 0.834 0 C-N-CA 125.317 1.447 . . . . 0.0 109.651 175.311 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 5.8 mp 61.77 -27.52 0.06 Allowed 'General case' 0 N--CA 1.479 0.994 0 C-N-CA 127.057 2.143 . . . . 0.0 114.738 -169.669 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 26' ' ' TRP . . . . . 0.401 ' H ' ' C ' ' A' ' 24' ' ' ARG . 0.1 OUTLIER -155.26 171.97 18.95 Favored 'General case' 0 C--N 1.325 -0.48 0 C-N-CA 127.551 2.34 . . . . 0.0 110.441 -177.871 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 16.2 t -107.48 43.86 1.14 Allowed 'General case' 0 CA--C 1.544 0.722 0 C-N-CA 123.988 0.915 . . . . 0.0 111.348 178.807 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 3.0 mmmp? -59.11 139.93 56.37 Favored 'General case' 0 N--CA 1.479 0.977 0 C-N-CA 123.885 0.874 . . . . 0.0 110.972 -175.256 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 59.2 mtpt -60.88 131.44 50.68 Favored 'General case' 0 N--CA 1.475 0.819 0 C-N-CA 123.339 0.656 . . . . 0.0 111.176 -177.547 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -152.82 31.98 0.5 Allowed 'General case' 0 N--CA 1.477 0.881 0 N-CA-C 113.013 0.746 . . . . 0.0 113.013 -165.588 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 44.2 tp -138.37 145.87 41.6 Favored 'General case' 0 CA--C 1.534 0.363 0 N-CA-C 113.145 0.794 . . . . 0.0 113.145 -157.746 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 59.0 mt . . . . . 0 C--O 1.212 -0.882 0 N-CA-C 107.235 -1.394 . . . . 0.0 107.235 162.767 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.465 0.623 0 CA-C-O 118.088 -1.396 . . . . 0.0 111.081 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 66.8 Cg_endo -71.59 -179.34 3.63 Favored 'Trans proline' 0 CA--C 1.54 0.819 0 C-N-CA 122.988 2.459 . . . . 0.0 110.881 163.284 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -141.0 131.84 25.88 Favored 'General case' 0 CA--C 1.533 0.297 0 N-CA-C 105.324 -2.102 . . . . 0.0 105.324 -164.698 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -38.37 -49.33 1.42 Allowed 'General case' 0 CA--C 1.548 0.876 0 C-N-CA 128.153 2.581 . . . . 0.0 114.488 169.889 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -66.78 -54.21 25.06 Favored 'General case' 0 CA--C 1.539 0.549 0 C-N-CA 124.643 1.177 . . . . 0.0 111.464 179.634 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 11.3 mttp -72.76 3.22 5.38 Favored 'General case' 0 N--CA 1.474 0.749 0 N-CA-C 115.814 1.783 . . . . 0.0 115.814 -178.54 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 7' ' ' TRP . . . . . . . . . . . . 0.278 32.9 m95 -131.87 13.57 4.82 Favored 'General case' 0 N--CA 1.47 0.529 0 N-CA-C 116.903 2.186 . . . . 0.0 116.903 172.947 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 5.9 mtt 56.69 55.69 6.13 Favored 'General case' 0 N--CA 1.478 0.948 0 N-CA-C 113.914 1.079 . . . . 0.0 113.914 174.452 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 4.1 pt20 -58.62 5.5 0.02 OUTLIER 'General case' 0 CA--C 1.551 1.017 0 N-CA-C 120.239 3.422 . . . . 0.0 120.239 -168.959 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 5.0 m 56.91 71.52 0.57 Allowed 'General case' 0 N--CA 1.479 0.999 0 O-C-N 120.363 -1.461 . . . . 0.0 112.587 -163.141 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 9.0 t -74.3 79.52 1.84 Allowed 'General case' 0 CA--C 1.541 0.633 0 O-C-N 121.15 -0.969 . . . . 0.0 111.297 -176.606 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 81.2 m-20 -70.99 163.81 26.81 Favored 'General case' 0 CA--C 1.534 0.343 0 C-N-CA 125.557 1.543 . . . . 0.0 114.326 174.357 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 8.7 t -61.68 -16.6 50.22 Favored 'General case' 0 N--CA 1.472 0.629 0 O-C-N 121.089 -1.007 . . . . 0.0 112.807 173.763 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 46.2 mt-10 -105.22 21.44 17.13 Favored 'General case' 0 CA--C 1.548 0.901 0 C-N-CA 125.493 1.517 . . . . 0.0 113.467 170.881 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 18.4 tpp85 -118.94 136.95 53.81 Favored 'General case' 0 N--CA 1.481 1.116 0 O-C-N 120.121 -1.612 . . . . 0.0 112.251 -174.901 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 66.1 mmtt -72.5 161.06 31.3 Favored 'General case' 0 N--CA 1.48 1.037 0 C-N-CA 125.436 1.494 . . . . 0.0 111.204 171.581 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 32.8 t -135.9 148.07 48.42 Favored 'General case' 0 CA--C 1.542 0.642 0 CA-C-O 122.559 1.171 . . . . 0.0 112.868 166.042 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 28.6 m -51.93 -34.57 42.42 Favored 'General case' 0 CA--C 1.537 0.461 0 C-N-CA 127.566 2.346 . . . . 0.0 114.286 -178.353 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -123.55 -31.45 3.49 Favored 'General case' 0 CA--C 1.542 0.644 0 C-N-CA 125.412 1.485 . . . . 0.0 112.894 170.623 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 94.06 63.07 1.05 Allowed Glycine 0 CA--C 1.529 0.926 0 O-C-N 120.988 -1.07 . . . . 0.0 112.98 178.686 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 50.2 mmm -115.09 -162.54 0.83 Allowed 'General case' 0 CA--C 1.539 0.526 0 C-N-CA 125.011 1.325 . . . . 0.0 111.134 -170.109 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 5.1 t -58.32 131.2 22.34 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.79 0 O-C-N 120.908 -1.12 . . . . 0.0 111.834 178.344 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 44.6 t -142.62 93.92 2.58 Favored 'General case' 0 CA--C 1.546 0.79 0 C-N-CA 123.962 0.905 . . . . 0.0 112.005 -151.171 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . 0.454 ' C ' ' H ' ' A' ' 26' ' ' TRP . 0.9 OUTLIER -161.97 129.26 3.91 Favored 'General case' 0 N--CA 1.493 1.695 0 C-N-CA 128.456 2.702 . . . . 0.0 106.485 164.841 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 5.9 mp 58.64 -17.9 0.02 OUTLIER 'General case' 0 N--CA 1.488 1.441 0 C-N-CA 126.87 2.068 . . . . 0.0 115.527 -175.661 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 26' ' ' TRP . . . . . 0.454 ' H ' ' C ' ' A' ' 24' ' ' ARG . 4.1 p-90 -157.41 166.97 31.6 Favored 'General case' 0 C--N 1.327 -0.41 0 C-N-CA 130.516 3.527 . . . . 0.0 109.899 -177.074 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 49.8 t -115.72 125.29 52.61 Favored 'General case' 0 CA--C 1.533 0.321 0 N-CA-C 107.332 -1.358 . . . . 0.0 107.332 162.575 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 31.4 mmmt -137.9 135.59 36.26 Favored 'General case' 0 N--CA 1.478 0.929 0 C-N-CA 124.272 1.029 . . . . 0.0 111.139 -171.644 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 15.3 mtpp -69.3 134.9 49.7 Favored 'General case' 0 N--CA 1.471 0.59 0 C-N-CA 123.833 0.853 . . . . 0.0 111.65 -179.707 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 5.3 tptm -154.63 43.25 0.5 Allowed 'General case' 0 N--CA 1.473 0.704 0 C-N-CA 124.462 1.105 . . . . 0.0 110.937 -179.368 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 13.7 tp -145.69 133.2 20.82 Favored 'General case' 0 CA--C 1.538 0.492 0 C-N-CA 124.629 1.172 . . . . 0.0 111.929 -168.991 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 4.0 pp . . . . . 0 C--O 1.208 -1.097 0 C-N-CA 123.526 0.73 . . . . 0.0 110.437 177.347 . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.47 0.941 0 N-CA-C 109.614 -1.394 . . . . 0.0 109.614 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 38.0 Cg_endo -66.7 128.87 19.8 Favored 'Trans proline' 0 CA--C 1.537 0.639 0 C-N-CA 123.489 2.792 . . . . 0.0 113.347 -175.7 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 3' ' ' TYR . . . . . . . . . . . . 0.339 47.3 m-85 -122.11 69.03 0.94 Allowed 'General case' 0 N--CA 1.462 0.142 0 C-N-CA 126.501 1.921 . . . . 0.0 114.315 168.635 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 7.4 p -133.59 -73.08 0.49 Allowed 'General case' 0 CA--C 1.54 0.565 0 C-N-CA 124.524 1.129 . . . . 0.0 112.226 -168.751 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 1.2 pm0 -62.2 -50.49 71.6 Favored 'General case' 0 N--CA 1.47 0.533 0 CA-C-N 119.028 0.831 . . . . 0.0 109.893 171.258 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 15.2 mtpp -66.15 -1.21 3.01 Favored 'General case' 0 N--CA 1.473 0.699 0 C-N-CA 125.838 1.655 . . . . 0.0 114.958 177.076 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 7' ' ' TRP . . . . . . . . . . . . . 54.9 t90 -136.37 17.45 3.16 Favored 'General case' 0 CA--C 1.541 0.603 0 C-N-CA 124.601 1.16 . . . . 0.0 113.333 -177.509 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 41.7 mtt 57.31 56.53 5.05 Favored 'General case' 0 CA--C 1.543 0.674 0 N-CA-C 113.791 1.034 . . . . 0.0 113.791 170.078 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 15.9 pt20 -56.86 25.17 0.0 OUTLIER 'General case' 0 CA--C 1.558 1.259 0 N-CA-C 120.4 3.482 . . . . 0.0 120.4 -167.815 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 27.6 m 57.73 57.7 4.09 Favored 'General case' 0 N--CA 1.487 1.394 0 CA-C-N 122.14 2.245 . . . . 0.0 112.742 178.649 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -79.97 70.35 6.53 Favored 'General case' 0 CA--C 1.538 0.505 0 C-N-CA 124.766 1.227 . . . . 0.0 112.956 -174.229 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 15.6 m-20 -87.09 -171.33 3.45 Favored 'General case' 0 CA--C 1.543 0.709 0 C-N-CA 125.33 1.452 . . . . 0.0 114.18 153.405 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 29.8 p -69.01 34.39 0.03 OUTLIER 'General case' 0 N--CA 1.479 0.998 0 N-CA-C 116.637 2.088 . . . . 0.0 116.637 -179.935 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 49.6 mm-40 -140.48 42.74 1.88 Allowed 'General case' 0 C--O 1.238 0.464 0 C-N-CA 126.821 2.048 . . . . 0.0 111.903 176.577 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -136.21 125.18 24.25 Favored 'General case' 0 N--CA 1.474 0.753 0 N-CA-C 117.144 2.276 . . . . 0.0 117.144 -168.606 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 18.6 ptmt -63.68 66.6 0.02 OUTLIER 'General case' 0 CA--C 1.542 0.666 0 C-N-CA 127.148 2.179 . . . . 0.0 112.84 145.862 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 48.7 t -56.87 122.04 11.29 Favored 'General case' 0 C--O 1.237 0.436 0 O-C-N 120.528 -1.357 . . . . 0.0 109.587 175.91 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 14.7 m -67.55 -13.85 62.42 Favored 'General case' 0 CA--C 1.542 0.648 0 N-CA-C 113.535 0.939 . . . . 0.0 113.535 -167.416 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 62.1 mm-40 -138.91 171.59 14.1 Favored 'General case' 0 CA--C 1.545 0.776 0 C-N-CA 125.782 1.633 . . . . 0.0 111.532 179.178 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -86.87 -8.84 75.45 Favored Glycine 0 CA--C 1.534 1.268 0 C-N-CA 125.395 1.474 . . . . 0.0 115.646 -174.733 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 15.3 ptp -58.61 -163.33 0.0 OUTLIER 'General case' 0 CA--C 1.547 0.862 0 C-N-CA 128.976 2.91 . . . . 0.0 113.934 172.441 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 2.7 t -50.48 142.83 2.71 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.869 0 O-C-N 120.989 -1.069 . . . . 0.0 113.131 179.322 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 41.4 t -132.97 79.04 1.82 Allowed 'General case' 0 N--CA 1.466 0.329 0 C-N-CA 124.465 1.106 . . . . 0.0 109.245 164.526 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 3.1 mpt_? -144.41 112.08 6.16 Favored 'General case' 0 N--CA 1.467 0.4 0 C-N-CA 125.881 1.672 . . . . 0.0 108.143 171.861 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 3.9 mp 60.18 -32.46 0.06 Allowed 'General case' 0 CA--C 1.548 0.873 0 C-N-CA 126.658 1.983 . . . . 0.0 114.978 -166.434 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 26' ' ' TRP . . . . . 0.432 ' CZ3' ' HE2' ' A' ' 28' ' ' LYS . 0.1 OUTLIER -153.44 172.11 17.62 Favored 'General case' 0 C--N 1.328 -0.326 0 C-N-CA 126.579 1.952 . . . . 0.0 113.291 -173.072 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 69.7 m -114.17 90.14 3.27 Favored 'General case' 0 CA--C 1.535 0.404 0 C-N-CA 125.234 1.414 . . . . 0.0 110.017 171.176 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . 0.432 ' HE2' ' CZ3' ' A' ' 26' ' ' TRP . 0.0 OUTLIER -132.94 160.22 37.7 Favored 'General case' 0 N--CA 1.477 0.9 0 C-N-CA 124.474 1.109 . . . . 0.0 111.418 175.286 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 33.6 mttm -67.24 130.51 43.31 Favored 'General case' 0 N--CA 1.468 0.47 0 C-N-CA 123.664 0.786 . . . . 0.0 111.534 -168.831 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 11.8 tppt? -162.94 96.06 0.89 Allowed 'General case' 0 N--CA 1.469 0.494 0 C-N-CA 125.675 1.59 . . . . 0.0 108.186 162.853 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 57.2 tp -155.23 -31.38 0.1 Allowed 'General case' 0 N--CA 1.47 0.569 0 N-CA-C 113.492 0.923 . . . . 0.0 113.492 -176.143 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 47.8 mt . . . . . 0 C--O 1.212 -0.897 0 O-C-N 121.048 -1.033 . . . . 0.0 109.714 -167.548 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.474 1.181 0 CA-C-O 118.402 -1.221 . . . . 0.0 111.188 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 86.1 Cg_endo -75.91 101.05 1.44 Allowed 'Trans proline' 0 N--CA 1.457 -0.62 0 C-N-CA 122.962 2.441 . . . . 0.0 110.601 -177.786 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 3' ' ' TYR . . . . . . . . . . . . 0.253 38.1 m-85 -53.25 127.95 26.34 Favored 'General case' 0 CA--C 1.538 0.483 0 N-CA-C 117.418 2.377 . . . . 0.0 117.418 -176.802 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 36.7 m -54.08 -43.67 70.52 Favored 'General case' 0 CA--C 1.538 0.497 0 N-CA-C 114.232 1.197 . . . . 0.0 114.232 -168.203 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -85.05 5.24 30.34 Favored 'General case' 0 CA--C 1.545 0.753 0 C-N-CA 125.142 1.377 . . . . 0.0 113.145 -173.903 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 4.4 ttmp? -137.26 -0.03 2.27 Favored 'General case' 0 CA--C 1.54 0.581 0 C-N-CA 127.659 2.384 . . . . 0.0 112.642 -166.231 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 7' ' ' TRP . . . . . . . . . . . . . 64.6 t90 -148.39 1.45 0.62 Allowed 'General case' 0 CA--C 1.553 1.092 0 N-CA-C 116.147 1.906 . . . . 0.0 116.147 -179.517 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 69.4 mtm 56.89 74.6 0.4 Allowed 'General case' 0 N--CA 1.477 0.876 0 C-N-CA 125.958 1.703 . . . . 0.0 113.458 176.95 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 10.0 pt20 -61.47 -2.39 0.73 Allowed 'General case' 0 CA--C 1.553 1.093 0 N-CA-C 116.219 1.933 . . . . 0.0 116.219 -174.563 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 33.5 m 59.27 92.39 0.04 OUTLIER 'General case' 0 N--CA 1.477 0.913 0 C-N-CA 125.591 1.556 . . . . 0.0 111.387 -149.97 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -97.95 77.84 2.51 Favored 'General case' 0 CA--C 1.537 0.467 0 C-N-CA 124.515 1.126 . . . . 0.0 111.56 -173.863 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 74.9 m-20 -68.41 173.77 4.64 Favored 'General case' 0 CA--C 1.548 0.902 0 C-N-CA 125.598 1.559 . . . . 0.0 114.332 169.447 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 42.4 t -55.61 -26.4 43.9 Favored 'General case' 0 N--CA 1.481 1.098 0 N-CA-C 114.805 1.409 . . . . 0.0 114.805 178.412 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 27.2 mt-10 -95.64 -10.17 30.12 Favored 'General case' 0 N--CA 1.474 0.766 0 N-CA-C 114.03 1.122 . . . . 0.0 114.03 179.144 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 11.3 mmt85 -82.38 133.02 35.21 Favored 'General case' 0 N--CA 1.471 0.595 0 O-C-N 121.044 -1.035 . . . . 0.0 112.929 -170.494 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -79.72 106.44 11.75 Favored 'General case' 0 N--CA 1.471 0.587 0 C-N-CA 123.188 0.595 . . . . 0.0 109.816 176.258 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 52.8 t -72.3 120.01 17.3 Favored 'General case' 0 CA--C 1.541 0.632 0 N-CA-C 108.446 -0.946 . . . . 0.0 108.446 164.34 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 63.5 m -49.7 -42.26 45.39 Favored 'General case' 0 N--CA 1.473 0.723 0 C-N-CA 125.72 1.608 . . . . 0.0 114.081 -163.124 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 54.9 mt-10 -96.35 15.32 21.55 Favored 'General case' 0 CA--C 1.544 0.721 0 N-CA-C 114.266 1.21 . . . . 0.0 114.266 -178.841 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 75.65 -5.19 39.42 Favored Glycine 0 CA--C 1.536 1.349 0 C-N-CA 126.042 1.782 . . . . 0.0 115.313 177.677 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 15.1 ptp -76.27 178.44 6.47 Favored 'General case' 0 CA--C 1.544 0.734 0 C-N-CA 126.568 1.947 . . . . 0.0 114.288 -175.948 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 19.6 t -53.23 131.76 15.45 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.914 0 C-N-CA 125.901 1.68 . . . . 0.0 113.909 -169.139 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 44.7 t -137.33 90.18 2.49 Favored 'General case' 0 CA--C 1.544 0.728 0 C-N-CA 126.719 2.008 . . . . 0.0 111.049 -165.255 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -145.32 93.25 2.35 Favored 'General case' 0 N--CA 1.477 0.925 0 C-N-CA 124.796 1.239 . . . . 0.0 110.638 175.66 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 18.9 mt 65.61 -46.04 0.38 Allowed 'General case' 0 CA--C 1.542 0.662 0 C-N-CA 127.464 2.306 . . . . 0.0 113.238 -169.307 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 26' ' ' TRP . . . . . . . . . . . . . 24.8 p-90 -96.17 167.38 11.24 Favored 'General case' 0 CA--C 1.534 0.341 0 C-N-CA 125.353 1.461 . . . . 0.0 112.774 164.155 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 2.4 t -127.33 129.67 48.07 Favored 'General case' 0 CA--C 1.542 0.646 0 N-CA-C 104.909 -2.256 . . . . 0.0 104.909 161.814 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 21.6 tptt -143.44 -100.86 0.12 Allowed 'General case' 0 N--CA 1.484 1.267 0 N-CA-C 114.156 1.169 . . . . 0.0 114.156 -156.354 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 7.8 mtpt -171.39 146.15 2.23 Favored 'General case' 0 N--CA 1.479 1.011 0 C-N-CA 126.917 2.087 . . . . 0.0 109.938 165.169 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 4.8 tptm -158.16 40.75 0.27 Allowed 'General case' 0 N--CA 1.481 1.086 0 C-N-CA 124.515 1.126 . . . . 0.0 111.65 173.501 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 6.7 tt -152.2 155.1 37.11 Favored 'General case' 0 CA--C 1.54 0.579 0 C-N-CA 126.385 1.874 . . . . 0.0 109.3 -172.816 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 6.0 mp . . . . . 0 C--O 1.208 -1.13 0 N-CA-C 107.472 -1.307 . . . . 0.0 107.472 -177.934 . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.469 0.884 0 N-CA-C 109.651 -1.38 . . . . 0.0 109.651 . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 98.6 Cg_endo -79.04 175.32 11.05 Favored 'Trans proline' 0 CA--C 1.538 0.712 0 C-N-CA 124.049 3.166 . . . . 0.0 113.644 -171.11 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 3' ' ' TYR . . . . . . . . . . . . 0.319 0.1 OUTLIER -134.42 149.02 50.74 Favored 'General case' 0 C--O 1.234 0.282 0 N-CA-C 116.965 2.209 . . . . 0.0 116.965 -178.555 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 3.8 m -112.48 -65.57 1.17 Allowed 'General case' 0 CA--C 1.536 0.433 0 C-N-CA 123.787 0.835 . . . . 0.0 111.323 169.828 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -60.0 -39.47 85.91 Favored 'General case' 0 N--CA 1.473 0.682 0 O-C-N 120.901 -1.124 . . . . 0.0 111.618 -179.966 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 7.8 mttp -69.46 -2.87 12.3 Favored 'General case' 0 N--CA 1.471 0.618 0 N-CA-C 114.701 1.371 . . . . 0.0 114.701 178.106 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 7' ' ' TRP . . . . . . . . . . . . . 4.8 t-105 -127.75 19.81 6.63 Favored 'General case' 0 CA--C 1.537 0.474 0 C-N-CA 124.324 1.049 . . . . 0.0 111.41 171.373 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 75.0 mtm 50.48 61.55 3.15 Favored 'General case' 0 CA--C 1.541 0.603 0 C-N-CA 125.234 1.414 . . . . 0.0 112.96 174.92 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -57.13 35.66 0.0 OUTLIER 'General case' 0 CA--C 1.551 1.01 0 C-N-CA 129.616 3.166 . . . . 0.0 119.329 -169.012 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 11.1 m 52.74 60.84 3.51 Favored 'General case' 0 N--CA 1.479 0.992 0 CA-C-N 120.678 1.581 . . . . 0.0 111.658 162.564 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 1.8 t -75.63 55.86 0.87 Allowed 'General case' 0 CA--C 1.541 0.598 0 C-N-CA 125.029 1.331 . . . . 0.0 114.08 -163.523 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 67.3 m-20 -67.79 159.64 29.86 Favored 'General case' 0 CA--C 1.536 0.409 0 C-N-CA 124.781 1.232 . . . . 0.0 113.823 158.33 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 33.3 t -57.1 -35.05 68.95 Favored 'General case' 0 N--CA 1.479 0.988 0 N-CA-C 114.539 1.311 . . . . 0.0 114.539 -171.082 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 13.9 pt-20 -73.38 -15.91 61.35 Favored 'General case' 0 CA--C 1.546 0.822 0 N-CA-C 115.228 1.566 . . . . 0.0 115.228 176.869 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -90.06 136.93 32.75 Favored 'General case' 0 N--CA 1.478 0.937 0 CA-C-N 119.73 1.15 . . . . 0.0 111.734 -171.794 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 37.8 mmtm -54.95 149.41 11.71 Favored 'General case' 0 N--CA 1.478 0.961 0 C-N-CA 125.022 1.329 . . . . 0.0 112.36 168.237 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 53.4 t -121.85 77.92 1.41 Allowed 'General case' 0 N--CA 1.469 0.505 0 C-N-CA 125.147 1.379 . . . . 0.0 109.451 173.154 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 2.4 m -70.03 28.36 0.03 OUTLIER 'General case' 0 CA--C 1.555 1.146 0 N-CA-C 116.361 1.986 . . . . 0.0 116.361 -162.742 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 4.9 mm-40 -132.67 -12.55 3.0 Favored 'General case' 0 CA--C 1.544 0.745 0 C-N-CA 125.663 1.585 . . . . 0.0 113.627 161.253 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 67.72 59.03 6.93 Favored Glycine 0 CA--C 1.535 1.282 0 CA-C-N 120.432 1.469 . . . . 0.0 113.547 -176.024 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 24.2 mmt -130.5 -160.18 1.02 Allowed 'General case' 0 N--CA 1.474 0.726 0 C-N-CA 125.08 1.352 . . . . 0.0 111.665 -164.881 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 13.5 t -46.67 141.62 1.12 Allowed 'Isoleucine or valine' 0 N--CA 1.474 0.749 0 CA-C-O 118.325 -0.845 . . . . 0.0 110.804 157.279 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 19.0 t -139.04 89.82 2.38 Favored 'General case' 0 CA--C 1.536 0.428 0 C-N-CA 125.627 1.571 . . . . 0.0 108.619 173.611 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . 0.449 ' C ' ' H ' ' A' ' 26' ' ' TRP . 4.3 mpt_? -144.37 99.58 3.39 Favored 'General case' 0 N--CA 1.476 0.84 0 C-N-CA 125.729 1.612 . . . . 0.0 109.485 178.935 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 25.7 mt 54.89 -20.68 0.01 OUTLIER 'General case' 0 N--CA 1.483 1.195 0 C-N-CA 128.317 2.647 . . . . 0.0 115.559 -159.424 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 26' ' ' TRP . . . . . 0.449 ' H ' ' C ' ' A' ' 24' ' ' ARG . 3.5 p-90 -157.24 172.79 18.0 Favored 'General case' 0 CA--C 1.54 0.56 0 C-N-CA 128.26 2.624 . . . . 0.0 111.974 -177.815 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 71.1 m -117.14 139.94 50.12 Favored 'General case' 0 CA--C 1.531 0.213 0 C-N-CA 125.967 1.707 . . . . 0.0 111.243 169.362 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 75.8 mttt -130.91 -115.94 0.23 Allowed 'General case' 0 N--CA 1.474 0.754 0 C-N-CA 125.952 1.701 . . . . 0.0 110.595 -178.216 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 3.1 ttpt -147.55 137.48 22.89 Favored 'General case' 0 N--CA 1.479 0.976 0 CA-C-N 120.351 1.432 . . . . 0.0 113.017 171.412 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 6.7 ttpt -156.63 -6.98 0.1 Allowed 'General case' 0 N--CA 1.486 1.336 0 C-N-CA 126.135 1.774 . . . . 0.0 115.527 171.057 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 34.1 tp -80.98 91.81 6.1 Favored 'General case' 0 N--CA 1.471 0.58 0 O-C-N 119.947 -1.721 . . . . 0.0 108.399 157.341 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 3.0 pp . . . . . 0 N--CA 1.485 1.31 0 C-N-CA 127.072 2.149 . . . . 0.0 109.534 -172.436 . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.47 0.944 0 CA-C-O 118.047 -1.418 . . . . 0.0 110.419 . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 69.5 Cg_endo -70.04 -23.87 29.01 Favored 'Trans proline' 0 CA--C 1.538 0.693 0 C-N-CA 124.193 3.262 . . . . 0.0 114.236 -177.173 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 6.5 p90 -140.02 137.92 35.03 Favored 'General case' 0 C--O 1.232 0.143 0 C-N-CA 125.496 1.518 . . . . 0.0 114.392 -177.246 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -161.82 -61.84 0.05 Allowed 'General case' 0 CA--C 1.539 0.528 0 N-CA-C 113.335 0.865 . . . . 0.0 113.335 173.441 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -64.24 -47.47 79.53 Favored 'General case' 0 N--CA 1.468 0.428 0 C-N-CA 124.714 1.206 . . . . 0.0 112.71 179.508 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 17.0 tttp -66.83 -9.8 41.23 Favored 'General case' 0 N--CA 1.469 0.487 0 C-N-CA 125.843 1.657 . . . . 0.0 113.321 -175.209 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 7' ' ' TRP . . . . . . . . . . . . . 0.1 OUTLIER -149.87 52.2 0.92 Allowed 'General case' 0 CA--C 1.55 0.965 0 C-N-CA 126.403 1.881 . . . . 0.0 107.965 -174.202 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 52.3 mtt 39.32 51.27 2.09 Favored 'General case' 0 N--CA 1.48 1.041 0 N-CA-C 117.314 2.339 . . . . 0.0 117.314 159.59 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 2.3 pt20 -58.38 -4.62 0.4 Allowed 'General case' 0 CA--C 1.553 1.064 0 N-CA-C 119.134 3.012 . . . . 0.0 119.134 -170.802 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 46.6 m 66.04 145.72 0.03 OUTLIER 'General case' 0 N--CA 1.482 1.163 0 CA-C-N 120.152 1.342 . . . . 0.0 112.843 -156.578 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 0.7 OUTLIER -156.74 128.58 7.23 Favored 'General case' 0 N--CA 1.468 0.459 0 O-C-N 119.632 -1.918 . . . . 0.0 110.791 -174.697 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 11.3 m-20 -149.14 165.29 32.23 Favored 'General case' 0 CA--C 1.544 0.713 0 C-N-CA 126.131 1.773 . . . . 0.0 107.314 -163.517 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 43.7 t -52.72 -38.12 60.26 Favored 'General case' 0 N--CA 1.482 1.139 0 O-C-N 120.791 -1.193 . . . . 0.0 114.071 178.797 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 70.5 tt0 -64.63 -34.12 77.53 Favored 'General case' 0 N--CA 1.473 0.688 0 N-CA-C 115.26 1.578 . . . . 0.0 115.26 173.832 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -112.55 138.22 49.64 Favored 'General case' 0 N--CA 1.466 0.344 0 C-N-CA 123.482 0.713 . . . . 0.0 112.72 -148.769 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 54.5 pttt -52.4 127.99 24.13 Favored 'General case' 0 N--CA 1.467 0.421 0 C-N-CA 124.979 1.312 . . . . 0.0 111.593 -172.883 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 5.9 t -89.91 117.41 28.71 Favored 'General case' 0 CA--C 1.531 0.246 0 N-CA-C 108.137 -1.06 . . . . 0.0 108.137 169.89 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 5.2 t -38.67 -43.2 0.87 Allowed 'General case' 0 CA--C 1.541 0.603 0 C-N-CA 127.363 2.265 . . . . 0.0 115.464 -179.285 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 55.0 mt-10 -128.89 22.1 5.82 Favored 'General case' 0 CA--C 1.546 0.825 0 C-N-CA 125.399 1.48 . . . . 0.0 111.593 -177.017 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 68.25 12.91 64.06 Favored Glycine 0 CA--C 1.541 1.663 0 N-CA-C 117.023 1.569 . . . . 0.0 117.023 177.954 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 18.3 mmt -76.74 -169.3 1.23 Allowed 'General case' 0 CA--C 1.547 0.865 0 C-N-CA 127.569 2.347 . . . . 0.0 113.914 -173.652 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 15.6 t -49.42 136.86 6.11 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.008 0 C-N-CA 124.641 1.176 . . . . 0.0 108.691 154.856 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 49.0 t -137.67 77.91 1.66 Allowed 'General case' 0 CA--C 1.539 0.547 0 C-N-CA 125.788 1.635 . . . . 0.0 110.397 -168.498 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -148.16 113.05 5.44 Favored 'General case' 0 N--CA 1.479 1.01 0 C-N-CA 126.68 1.992 . . . . 0.0 110.076 -179.169 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 48.5 mt 62.18 -32.14 0.09 Allowed 'General case' 0 N--CA 1.483 1.187 0 C-N-CA 127.441 2.296 . . . . 0.0 115.104 -162.526 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 26' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -153.16 159.21 42.66 Favored 'General case' 0 CA--C 1.532 0.254 0 C-N-CA 124.948 1.299 . . . . 0.0 110.395 173.12 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 9.0 t -87.77 123.41 32.54 Favored 'General case' 0 CA--C 1.531 0.234 0 N-CA-C 106.678 -1.601 . . . . 0.0 106.678 153.962 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . 0.289 2.2 tptm -122.06 -119.26 0.29 Allowed 'General case' 0 N--CA 1.478 0.95 0 CA-C-N 119.676 1.126 . . . . 0.0 111.607 -174.824 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 18.8 ttmm -139.0 129.02 25.15 Favored 'General case' 0 N--CA 1.471 0.616 0 CA-C-N 120.635 1.561 . . . . 0.0 111.637 166.346 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 3.7 tmtm? -118.3 -29.51 5.5 Favored 'General case' 0 N--CA 1.475 0.787 0 C-N-CA 126.646 1.978 . . . . 0.0 111.596 171.599 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 2.7 mm? -72.96 45.14 0.14 Allowed 'General case' 0 CA--C 1.552 1.026 0 C-N-CA 126.484 1.914 . . . . 0.0 111.933 174.685 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 17.6 mt . . . . . 0 C--O 1.215 -0.748 0 C-N-CA 125.429 1.492 . . . . 0.0 108.706 170.592 . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.471 1.005 0 CA-C-O 118.338 -1.257 . . . . 0.0 111.14 . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 95.8 Cg_endo -75.41 3.86 5.45 Favored 'Trans proline' 0 CA--C 1.542 0.879 0 C-N-CA 123.909 3.073 . . . . 0.0 115.279 -170.464 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 33.3 p90 -129.18 129.86 45.61 Favored 'General case' 0 C--O 1.237 0.4 0 N-CA-C 115.133 1.531 . . . . 0.0 115.133 177.667 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -154.12 -58.33 0.12 Allowed 'General case' 0 CA--C 1.545 0.784 0 N-CA-C 114.286 1.217 . . . . 0.0 114.286 -175.984 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -65.48 -44.47 87.03 Favored 'General case' 0 N--CA 1.477 0.879 0 O-C-N 121.01 -1.056 . . . . 0.0 110.246 171.964 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 31.6 tttm -73.71 4.07 5.59 Favored 'General case' 0 CA--C 1.542 0.664 0 C-N-CA 127.552 2.341 . . . . 0.0 114.031 -179.267 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 7' ' ' TRP . . . . . . . . . . . . . 23.5 t-105 -153.59 24.51 0.52 Allowed 'General case' 0 CA--C 1.549 0.929 0 C-N-CA 124.272 1.029 . . . . 0.0 113.028 -173.282 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 83.9 mtp 51.17 66.87 1.05 Allowed 'General case' 0 N--CA 1.476 0.874 0 N-CA-C 114.651 1.352 . . . . 0.0 114.651 172.939 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 5.7 pt20 -65.3 33.6 0.02 OUTLIER 'General case' 0 CA--C 1.555 1.163 0 N-CA-C 119.231 3.049 . . . . 0.0 119.231 -171.724 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 6.1 m 44.95 57.89 4.36 Favored 'General case' 0 N--CA 1.484 1.252 0 CA-C-N 120.902 1.683 . . . . 0.0 112.579 178.223 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 1.3 t -77.78 78.97 4.28 Favored 'General case' 0 CA--C 1.535 0.402 0 C-N-CA 123.769 0.828 . . . . 0.0 111.958 -161.509 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 74.3 m-20 -72.59 166.74 22.14 Favored 'General case' 0 CA--C 1.541 0.606 0 C-N-CA 126.028 1.731 . . . . 0.0 113.57 170.441 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 3.3 t -46.39 -40.66 12.45 Favored 'General case' 0 N--CA 1.48 1.054 0 N-CA-C 115.651 1.722 . . . . 0.0 115.651 -176.531 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 35.4 mp0 -101.04 9.66 41.92 Favored 'General case' 0 N--CA 1.472 0.634 0 C-N-CA 125.015 1.326 . . . . 0.0 113.515 -177.05 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -82.98 125.61 31.6 Favored 'General case' 0 N--CA 1.467 0.413 0 O-C-N 120.44 -1.412 . . . . 0.0 110.796 -169.564 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 10.8 ptmt -58.45 99.35 0.04 OUTLIER 'General case' 0 N--CA 1.479 0.994 0 C-N-CA 124.926 1.29 . . . . 0.0 113.25 178.211 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 43.6 t -66.05 140.91 58.3 Favored 'General case' 0 CA--C 1.54 0.588 0 C-N-CA 122.677 0.391 . . . . 0.0 111.756 -179.325 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 0.7 OUTLIER -60.94 -28.99 69.37 Favored 'General case' 0 CA--C 1.541 0.612 0 C-N-CA 126.946 2.098 . . . . 0.0 114.896 -177.599 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 97.0 mt-10 -136.65 -23.35 1.22 Allowed 'General case' 0 N--CA 1.472 0.636 0 C-N-CA 124.733 1.213 . . . . 0.0 113.722 -168.957 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 83.52 73.69 1.24 Allowed Glycine 0 CA--C 1.531 1.062 0 C-N-CA 124.06 0.838 . . . . 0.0 111.286 -162.892 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 16.0 mmt -141.82 178.19 7.66 Favored 'General case' 0 CA--C 1.54 0.579 0 C-N-CA 126.585 1.954 . . . . 0.0 110.862 -172.407 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 73.2 t -60.85 125.37 16.9 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.831 0 C-N-CA 124.186 0.994 . . . . 0.0 109.351 175.709 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 43.1 t -122.71 92.98 3.83 Favored 'General case' 0 CA--C 1.542 0.66 0 C-N-CA 126.157 1.783 . . . . 0.0 111.34 -168.026 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 4.7 mpt_? -151.45 106.85 3.33 Favored 'General case' 0 N--CA 1.482 1.157 0 C-N-CA 126.879 2.072 . . . . 0.0 109.601 179.547 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 6.5 mp 58.84 -33.42 0.05 OUTLIER 'General case' 0 N--CA 1.485 1.3 0 C-N-CA 128.451 2.7 . . . . 0.0 114.3 -161.023 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 26' ' ' TRP . . . . . . . . . . . . . 1.3 p-90 -141.62 157.65 44.82 Favored 'General case' 0 C--N 1.324 -0.525 0 C-N-CA 127.494 2.317 . . . . 0.0 110.878 178.58 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 0.6 OUTLIER -98.85 117.96 34.52 Favored 'General case' 0 N--CA 1.463 0.21 0 CA-C-O 117.638 -1.172 . . . . 0.0 107.965 166.865 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 68.8 mmtt -134.08 141.47 47.18 Favored 'General case' 0 N--CA 1.478 0.954 0 N-CA-C 116.605 2.076 . . . . 0.0 116.605 -167.801 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 25.0 tttp -77.84 79.8 4.31 Favored 'General case' 0 CA--C 1.536 0.42 0 C-N-CA 128.378 2.671 . . . . 0.0 113.003 -161.177 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -89.78 -5.97 56.43 Favored 'General case' 0 N--CA 1.479 0.98 0 N-CA-C 114.686 1.365 . . . . 0.0 114.686 172.529 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 9.0 tt -80.44 124.61 29.06 Favored 'General case' 0 N--CA 1.467 0.418 0 CA-C-N 119.227 0.921 . . . . 0.0 111.439 -177.028 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 2.4 pt? . . . . . 0 C--O 1.209 -1.043 0 CA-C-O 122.883 1.325 . . . . 0.0 110.868 179.714 . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.47 0.961 0 N-CA-C 110.628 -0.989 . . . . 0.0 110.628 . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 72.0 Cg_endo -76.77 -20.59 13.36 Favored 'Trans proline' 0 CA--C 1.537 0.648 0 C-N-CA 123.3 2.667 . . . . 0.0 114.305 -168.775 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 3' ' ' TYR . . . . . . . . . . . . 0.377 49.7 m-85 -77.39 46.52 0.52 Allowed 'General case' 0 CA--C 1.543 0.71 0 N-CA-C 118.022 2.601 . . . . 0.0 118.022 -170.016 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -36.39 -48.82 0.68 Allowed 'General case' 0 CA--C 1.546 0.788 0 C-N-CA 128.524 2.73 . . . . 0.0 116.507 -169.277 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -68.8 -39.19 80.23 Favored 'General case' 0 CA--C 1.546 0.789 0 C-N-CA 124.735 1.214 . . . . 0.0 113.24 -178.866 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 23.0 mttm -73.69 -36.52 65.3 Favored 'General case' 0 N--CA 1.477 0.899 0 C-N-CA 125.601 1.56 . . . . 0.0 114.019 173.689 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 7' ' ' TRP . . . . . . . . . . . . . 0.9 OUTLIER -83.59 -4.24 58.39 Favored 'General case' 0 N--CA 1.475 0.822 0 N-CA-C 116.27 1.952 . . . . 0.0 116.27 179.614 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 23.3 mtm 60.28 70.0 0.66 Allowed 'General case' 0 CA--C 1.538 0.5 0 C-N-CA 125.533 1.533 . . . . 0.0 111.774 -176.989 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -60.45 29.81 0.01 OUTLIER 'General case' 0 CA--C 1.554 1.107 0 C-N-CA 128.875 2.87 . . . . 0.0 118.205 -178.017 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 6.2 m 46.58 56.24 6.71 Favored 'General case' 0 N--CA 1.477 0.919 0 C-N-CA 127.025 2.13 . . . . 0.0 113.839 167.824 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -79.46 143.4 35.0 Favored 'General case' 0 CA--C 1.538 0.508 0 CA-C-N 115.465 -0.789 . . . . 0.0 111.812 -170.618 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 40.0 t0 -170.63 -179.63 2.98 Favored 'General case' 0 CA--C 1.544 0.725 0 N-CA-C 107.594 -1.262 . . . . 0.0 107.594 -139.335 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 30.2 t -59.35 -49.12 79.06 Favored 'General case' 0 N--CA 1.476 0.839 0 O-C-N 120.231 -1.543 . . . . 0.0 113.492 175.308 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 25.6 tt0 -95.12 16.26 16.89 Favored 'General case' 0 CA--C 1.544 0.737 0 N-CA-C 113.565 0.95 . . . . 0.0 113.565 -170.271 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -98.83 127.6 44.8 Favored 'General case' 0 N--CA 1.472 0.641 0 N-CA-C 115.16 1.541 . . . . 0.0 115.16 -169.994 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -60.52 156.76 15.57 Favored 'General case' 0 N--CA 1.469 0.508 0 CA-C-N 114.604 -1.18 . . . . 0.0 110.133 155.064 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 40.3 t -135.14 137.28 42.61 Favored 'General case' 0 CA--C 1.541 0.629 0 C-N-CA 124.073 0.949 . . . . 0.0 112.778 -167.735 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 1.9 t -57.94 -35.79 71.6 Favored 'General case' 0 CA--C 1.546 0.826 0 C-N-CA 126.405 1.882 . . . . 0.0 115.687 -166.631 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 29.2 mt-10 -147.67 27.67 0.98 Allowed 'General case' 0 CA--C 1.554 1.133 0 C-N-CA 124.581 1.152 . . . . 0.0 113.774 -174.988 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 69.98 8.23 60.86 Favored Glycine 0 CA--C 1.542 1.746 0 O-C-N 120.279 -1.513 . . . . 0.0 116.53 177.817 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -73.23 -178.02 2.75 Favored 'General case' 0 CA--C 1.546 0.805 0 C-N-CA 125.989 1.716 . . . . 0.0 112.677 176.521 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 91.2 t -64.17 142.52 16.76 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.758 0 C-N-CA 124.526 1.13 . . . . 0.0 110.593 171.731 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 36.8 t -122.81 80.58 1.77 Allowed 'General case' 0 CA--C 1.536 0.428 0 C-N-CA 126.581 1.952 . . . . 0.0 110.483 -166.645 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -140.09 108.49 5.84 Favored 'General case' 0 N--CA 1.479 0.982 0 C-N-CA 125.324 1.45 . . . . 0.0 110.92 -179.372 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 5.8 mp 62.25 -32.58 0.1 Allowed 'General case' 0 N--CA 1.477 0.877 0 C-N-CA 128.588 2.755 . . . . 0.0 114.133 -168.306 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 26' ' ' TRP . . . . . . . . . . . . . 0.4 OUTLIER -151.07 -179.51 7.37 Favored 'General case' 0 CA--C 1.539 0.521 0 C-N-CA 127.833 2.453 . . . . 0.0 111.289 171.622 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 0.9 OUTLIER -124.64 107.32 10.88 Favored 'General case' 0 CA--C 1.534 0.361 0 C-N-CA 125.42 1.488 . . . . 0.0 107.556 171.526 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 3.7 mptp? -116.33 141.68 47.84 Favored 'General case' 0 N--CA 1.48 1.052 0 C-N-CA 125.637 1.575 . . . . 0.0 110.77 174.812 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 1.1 ttmp? -58.33 115.16 2.78 Favored 'General case' 0 N--CA 1.479 0.997 0 N-CA-C 108.531 -0.914 . . . . 0.0 108.531 -178.237 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 10.0 tmtt? -150.34 95.97 2.33 Favored 'General case' 0 N--CA 1.467 0.407 0 C-N-CA 124.74 1.216 . . . . 0.0 108.723 -169.63 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -163.7 142.64 7.95 Favored 'General case' 0 CA--C 1.535 0.393 0 C-N-CA 127.456 2.302 . . . . 0.0 108.775 -164.099 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 3.0 pp . . . . . 0 C--O 1.21 -1.022 0 CA-C-O 121.517 0.675 . . . . 0.0 109.878 -178.658 . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.475 1.244 0 N-CA-C 108.32 -1.912 . . . . 0.0 108.32 . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 85.7 Cg_endo -56.34 160.52 10.9 Favored 'Trans proline' 0 CA--C 1.541 0.869 0 CA-C-N 118.408 1.104 . . . . 0.0 110.04 138.483 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 75.5 m-85 -143.66 179.94 6.83 Favored 'General case' 0 N--CA 1.47 0.544 0 C-N-CA 124.559 1.144 . . . . 0.0 113.298 -178.815 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 0.6 OUTLIER -132.9 -66.22 0.68 Allowed 'General case' 0 CA--C 1.541 0.604 0 N-CA-C 114.394 1.257 . . . . 0.0 114.394 174.492 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -60.77 -33.77 73.46 Favored 'General case' 0 N--CA 1.475 0.802 0 O-C-N 120.851 -1.155 . . . . 0.0 113.362 -177.788 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 77.7 tttt -71.54 -20.66 62.0 Favored 'General case' 0 CA--C 1.542 0.64 0 N-CA-C 113.76 1.022 . . . . 0.0 113.76 173.612 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 7' ' ' TRP . . . . . . . . . . . . . 1.0 OUTLIER -147.17 63.01 1.17 Allowed 'General case' 0 CA--C 1.552 1.053 0 CA-C-N 119.949 1.25 . . . . 0.0 111.894 -152.65 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 8' ' ' MET . . . . . . . . . . . . 0.259 29.4 mtt 54.44 35.93 24.37 Favored 'General case' 0 N--CA 1.483 1.208 0 N-CA-C 117.962 2.579 . . . . 0.0 117.962 161.941 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -67.15 17.68 0.03 OUTLIER 'General case' 0 N--CA 1.482 1.126 0 N-CA-C 120.236 3.421 . . . . 0.0 120.236 -168.113 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 9.1 m 50.74 60.82 3.59 Favored 'General case' 0 N--CA 1.484 1.252 0 CA-C-N 120.802 1.637 . . . . 0.0 113.905 162.032 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 6.0 t -83.39 62.06 6.52 Favored 'General case' 0 CA--C 1.542 0.648 0 N-CA-C 113.152 0.797 . . . . 0.0 113.152 -166.928 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 24.8 m-20 -62.88 167.18 4.89 Favored 'General case' 0 CA--C 1.538 0.501 0 N-CA-C 113.633 0.975 . . . . 0.0 113.633 168.546 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 2.1 p -53.51 -26.33 20.32 Favored 'General case' 0 N--CA 1.479 0.988 0 N-CA-C 116.565 2.061 . . . . 0.0 116.565 -179.227 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 6.3 pt-20 -97.9 3.42 49.72 Favored 'General case' 0 CA--C 1.545 0.767 0 N-CA-C 114.922 1.453 . . . . 0.0 114.922 177.156 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -95.33 155.51 16.71 Favored 'General case' 0 N--CA 1.476 0.833 0 C-N-CA 124.769 1.228 . . . . 0.0 111.289 175.624 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 35.5 mttp -67.34 165.62 16.05 Favored 'General case' 0 N--CA 1.473 0.693 0 C-N-CA 123.538 0.735 . . . . 0.0 110.444 161.672 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 43.0 t -120.28 122.15 40.22 Favored 'General case' 0 C--N 1.328 -0.36 0 C-N-CA 125.043 1.337 . . . . 0.0 109.592 163.333 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 0.7 OUTLIER -48.69 -43.59 37.19 Favored 'General case' 0 CA--C 1.542 0.642 0 C-N-CA 125.364 1.465 . . . . 0.0 114.877 -164.797 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 9.4 mm-40 -118.36 9.39 12.43 Favored 'General case' 0 CA--C 1.549 0.925 0 C-N-CA 125.837 1.655 . . . . 0.0 111.276 179.328 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 79.05 -8.03 47.88 Favored Glycine 0 CA--C 1.537 1.416 0 N-CA-C 117.332 1.693 . . . . 0.0 117.332 -173.287 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 16.0 ptp -115.1 137.7 51.71 Favored 'General case' 0 N--CA 1.477 0.912 0 CA-C-N 120.515 2.157 . . . . 0.0 116.423 -169.712 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . 0.381 1.3 t 65.72 41.61 0.14 Allowed 'Isoleucine or valine' 0 N--CA 1.479 0.999 0 N-CA-C 115.953 1.834 . . . . 0.0 115.953 176.895 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 42.2 t -64.22 80.29 0.03 OUTLIER 'General case' 0 CA--C 1.546 0.81 0 C-N-CA 126.058 1.743 . . . . 0.0 112.996 176.204 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . 0.444 ' C ' ' H ' ' A' ' 26' ' ' TRP . 2.8 mpt_? -153.82 103.12 2.57 Favored 'General case' 0 N--CA 1.481 1.091 0 C-N-CA 127.136 2.174 . . . . 0.0 110.493 179.201 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 42.1 mt 60.88 -21.5 0.03 OUTLIER 'General case' 0 N--CA 1.481 1.111 0 C-N-CA 128.852 2.861 . . . . 0.0 115.45 -170.562 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 26' ' ' TRP . . . . . 0.444 ' H ' ' C ' ' A' ' 24' ' ' ARG . 0.0 OUTLIER -149.67 -164.32 1.99 Allowed 'General case' 0 CA--C 1.546 0.821 0 C-N-CA 129.351 3.06 . . . . 0.0 108.074 174.602 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 61.4 m -123.43 161.25 25.17 Favored 'General case' 0 C--O 1.237 0.444 0 C-N-CA 124.219 1.008 . . . . 0.0 108.993 152.399 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -140.06 -109.11 0.16 Allowed 'General case' 0 N--CA 1.474 0.775 0 CA-C-O 118.504 -0.76 . . . . 0.0 112.852 -165.22 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 20.8 tttt -161.24 139.26 9.41 Favored 'General case' 0 N--CA 1.469 0.51 0 C-N-CA 124.362 1.065 . . . . 0.0 109.241 177.456 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -159.25 -27.36 0.07 Allowed 'General case' 0 N--CA 1.48 1.029 0 N-CA-C 113.522 0.934 . . . . 0.0 113.522 178.008 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 4.7 tt -80.4 144.72 32.44 Favored 'General case' 0 CA--C 1.537 0.47 0 CA-C-N 119.233 0.924 . . . . 0.0 109.598 163.199 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--O 1.208 -1.089 0 CA-C-O 124.122 1.915 . . . . 0.0 110.485 -151.459 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.465 0.59 0 N-CA-C 110.284 -1.126 . . . . 0.0 110.284 . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 57.2 Cg_endo -79.87 -7.69 14.42 Favored 'Trans proline' 0 N--CA 1.46 -0.465 0 C-N-CA 124.702 3.601 . . . . 0.0 114.76 -173.826 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 4.9 m-30 -46.95 145.69 1.95 Allowed 'General case' 0 CA--C 1.533 0.291 0 N-CA-C 116.428 2.01 . . . . 0.0 116.428 173.581 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -118.13 -64.55 1.28 Allowed 'General case' 0 CA--C 1.534 0.341 0 C-N-CA 123.601 0.761 . . . . 0.0 111.583 171.056 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -63.65 -52.71 59.54 Favored 'General case' 0 CA--C 1.538 0.494 0 O-C-N 120.926 -1.109 . . . . 0.0 111.831 177.634 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -78.82 19.39 0.52 Allowed 'General case' 0 CA--C 1.547 0.845 0 N-CA-C 113.864 1.061 . . . . 0.0 113.864 178.835 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 7' ' ' TRP . . . . . . . . . . . . . 67.4 t-105 -138.99 16.44 2.64 Favored 'General case' 0 CA--C 1.546 0.823 0 C-N-CA 125.498 1.519 . . . . 0.0 111.99 171.949 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 74.0 mtm 56.86 60.13 3.18 Favored 'General case' 0 N--CA 1.47 0.527 0 C-N-CA 125.945 1.698 . . . . 0.0 114.684 172.321 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 1.5 pt20 -58.36 46.76 0.0 OUTLIER 'General case' 0 CA--C 1.553 1.083 0 C-N-CA 129.874 3.269 . . . . 0.0 118.406 178.794 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 17.1 m 46.05 53.16 9.47 Favored 'General case' 0 N--CA 1.481 1.119 0 CA-C-N 119.822 1.192 . . . . 0.0 113.586 156.62 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 7.0 t -71.5 132.8 45.24 Favored 'General case' 0 CA--C 1.539 0.539 0 O-C-N 120.96 -1.087 . . . . 0.0 113.05 -154.039 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 77.5 m-20 -129.02 162.27 28.01 Favored 'General case' 0 CA--C 1.537 0.471 0 C-N-CA 127.742 2.417 . . . . 0.0 112.071 -179.161 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 38.2 t -59.45 -19.84 50.58 Favored 'General case' 0 N--CA 1.475 0.824 0 N-CA-C 113.884 1.068 . . . . 0.0 113.884 175.437 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 12.7 pt-20 -95.23 -9.73 32.4 Favored 'General case' 0 N--CA 1.473 0.691 0 C-N-CA 126.052 1.741 . . . . 0.0 114.478 174.248 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -83.49 132.79 34.93 Favored 'General case' 0 N--CA 1.468 0.439 0 O-C-N 121.003 -1.061 . . . . 0.0 109.87 -164.647 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 64.2 mttm -63.7 84.22 0.03 OUTLIER 'General case' 0 N--CA 1.475 0.819 0 C-N-CA 123.801 0.84 . . . . 0.0 111.684 170.509 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 44.3 t -62.09 129.6 41.58 Favored 'General case' 0 CA--C 1.54 0.583 0 C-N-CA 124.404 1.082 . . . . 0.0 109.801 -179.759 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 39.6 t -104.24 4.15 33.52 Favored 'General case' 0 CA--C 1.545 0.777 0 C-N-CA 124.351 1.06 . . . . 0.0 113.463 -152.372 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 46.7 mt-10 -123.14 -6.02 8.36 Favored 'General case' 0 N--CA 1.478 0.932 0 C-N-CA 125.061 1.344 . . . . 0.0 113.424 145.61 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 87.69 25.25 33.14 Favored Glycine 0 CA--C 1.534 1.224 0 N-CA-C 116.24 1.256 . . . . 0.0 116.24 170.315 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 20.0 ptp -152.84 152.04 31.11 Favored 'General case' 0 CA--C 1.537 0.474 0 CA-C-N 119.245 1.522 . . . . 0.0 114.687 -177.876 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . 0.342 2.0 t 52.47 58.91 0.3 Allowed 'Isoleucine or valine' 0 N--CA 1.479 0.983 0 C-N-CA 126.948 2.099 . . . . 0.0 115.491 171.147 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 51.1 t -73.52 92.94 1.95 Allowed 'General case' 0 CA--C 1.541 0.633 0 C-N-CA 125.135 1.374 . . . . 0.0 111.603 -176.873 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . 0.42 ' C ' ' H ' ' A' ' 26' ' ' TRP . 2.3 mpt_? -144.14 98.53 3.23 Favored 'General case' 0 N--CA 1.482 1.143 0 C-N-CA 125.543 1.537 . . . . 0.0 110.798 176.029 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 22.8 mt 61.43 -25.73 0.04 OUTLIER 'General case' 0 N--CA 1.482 1.126 0 C-N-CA 127.087 2.155 . . . . 0.0 114.55 -166.814 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 26' ' ' TRP . . . . . 0.42 ' H ' ' C ' ' A' ' 24' ' ' ARG . 7.8 p-90 -153.7 -171.78 4.01 Favored 'General case' 0 CA--C 1.54 0.594 0 C-N-CA 128.088 2.555 . . . . 0.0 111.298 177.812 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 74.3 m -134.31 152.83 52.03 Favored 'General case' 0 CA--C 1.537 0.461 0 C-N-CA 126.6 1.96 . . . . 0.0 108.078 167.501 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 25.1 mmtp -154.84 171.7 19.2 Favored 'General case' 0 N--CA 1.483 1.204 0 C-N-CA 127.194 2.198 . . . . 0.0 111.535 179.051 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 64.2 mttm -59.73 118.68 6.43 Favored 'General case' 0 N--CA 1.476 0.832 0 C-N-CA 124.231 1.012 . . . . 0.0 111.444 169.972 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 1.5 mmtm -147.23 10.43 0.99 Allowed 'General case' 0 N--CA 1.473 0.723 0 C-N-CA 124.642 1.177 . . . . 0.0 113.816 -173.839 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 9.9 tt -96.14 139.65 32.0 Favored 'General case' 0 CA--C 1.533 0.301 0 C-N-CA 124.591 1.156 . . . . 0.0 110.96 170.935 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 96.8 mt . . . . . 0 C--O 1.207 -1.163 0 CA-C-O 122.638 1.209 . . . . 0.0 108.198 -177.015 . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.469 0.887 0 N-CA-C 109.11 -1.596 . . . . 0.0 109.11 . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 46.0 Cg_endo -67.45 -14.23 41.8 Favored 'Trans proline' 0 CA--C 1.54 0.776 0 C-N-CA 123.279 2.652 . . . . 0.0 115.127 -170.234 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 3' ' ' TYR . . . . . . . . . . . . 0.353 7.3 p90 -143.05 77.67 1.58 Allowed 'General case' 0 N--CA 1.465 0.292 0 N-CA-C 116.705 2.113 . . . . 0.0 116.705 176.424 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 8.6 p -132.59 -12.43 3.04 Favored 'General case' 0 CA--C 1.543 0.709 0 N-CA-C 114.271 1.212 . . . . 0.0 114.271 171.382 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 2.8 tt0 -91.59 -44.83 8.82 Favored 'General case' 0 N--CA 1.472 0.649 0 O-C-N 120.913 -1.117 . . . . 0.0 110.29 168.013 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 1.7 ttpm? -87.76 21.95 2.45 Favored 'General case' 0 CA--C 1.545 0.771 0 C-N-CA 125.941 1.696 . . . . 0.0 113.405 -178.063 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 7' ' ' TRP . . . . . . . . . . . . . 0.8 OUTLIER -160.26 157.98 29.08 Favored 'General case' 0 CA--C 1.541 0.596 0 C-N-CA 125.713 1.605 . . . . 0.0 108.833 -175.209 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 27.3 mtt -83.69 77.9 9.78 Favored 'General case' 0 N--CA 1.476 0.855 0 O-C-N 121.081 -1.012 . . . . 0.0 112.58 -173.269 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -64.65 11.86 0.05 OUTLIER 'General case' 0 CA--C 1.548 0.879 0 N-CA-C 118.377 2.732 . . . . 0.0 118.377 -168.95 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 2.6 m 47.5 87.01 0.02 OUTLIER 'General case' 0 N--CA 1.476 0.854 0 C-N-CA 126.835 2.054 . . . . 0.0 114.461 177.381 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 80.1 m -72.95 46.65 0.17 Allowed 'General case' 0 CA--C 1.546 0.805 0 C-N-CA 125.957 1.703 . . . . 0.0 115.279 -173.861 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 74.2 m-20 -58.1 145.82 35.34 Favored 'General case' 0 CA--C 1.533 0.29 0 N-CA-C 114.328 1.233 . . . . 0.0 114.328 171.904 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 22.3 t -61.38 -8.41 3.96 Favored 'General case' 0 N--CA 1.477 0.892 0 N-CA-C 115.496 1.665 . . . . 0.0 115.496 -173.756 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 93.3 mt-10 -94.88 1.98 55.37 Favored 'General case' 0 N--CA 1.474 0.738 0 C-N-CA 125.405 1.482 . . . . 0.0 114.274 171.807 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -113.59 152.61 30.08 Favored 'General case' 0 N--CA 1.468 0.456 0 CA-C-O 122.738 1.256 . . . . 0.0 112.945 -169.524 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 18.3 mttm -68.62 147.93 51.2 Favored 'General case' 0 N--CA 1.468 0.45 0 C-N-CA 125.753 1.621 . . . . 0.0 112.12 161.911 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 10.1 t -79.18 137.72 37.56 Favored 'General case' 0 CA--C 1.533 0.315 0 N-CA-C 109.453 -0.573 . . . . 0.0 109.453 150.898 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 4.9 t -50.25 -44.86 53.75 Favored 'General case' 0 CA--C 1.537 0.472 0 C-N-CA 125.717 1.607 . . . . 0.0 114.665 -177.651 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 8.5 mm-40 -122.2 11.91 10.2 Favored 'General case' 0 N--CA 1.481 1.113 0 C-N-CA 124.721 1.208 . . . . 0.0 113.041 -179.347 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 72.07 14.47 76.31 Favored Glycine 0 CA--C 1.542 1.74 0 O-C-N 119.875 -1.766 . . . . 0.0 115.676 -174.237 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 11.5 mmt -67.21 178.43 1.49 Allowed 'General case' 0 CA--C 1.547 0.861 0 C-N-CA 126.244 1.817 . . . . 0.0 111.317 170.603 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 92.6 t -67.67 131.67 32.96 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.959 0 C-N-CA 124.402 1.081 . . . . 0.0 110.222 170.434 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 2.0 t -128.22 111.84 13.85 Favored 'General case' 0 CA--C 1.542 0.644 0 C-N-CA 124.316 1.046 . . . . 0.0 112.37 -166.773 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -148.49 107.06 3.78 Favored 'General case' 0 N--CA 1.481 1.076 0 C-N-CA 125.519 1.528 . . . . 0.0 110.495 169.079 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 57.7 mt 58.05 -26.41 0.02 OUTLIER 'General case' 0 N--CA 1.485 1.293 0 C-N-CA 127.254 2.222 . . . . 0.0 115.655 -165.112 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 26' ' ' TRP . . . . . . . . . . . . . 7.3 p-90 -148.05 158.99 44.36 Favored 'General case' 0 CA--C 1.536 0.433 0 C-N-CA 128.851 2.86 . . . . 0.0 110.844 179.098 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -128.04 64.06 1.39 Allowed 'General case' 0 CA--C 1.54 0.578 0 CA-C-O 121.744 0.783 . . . . 0.0 111.739 -177.33 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 35.5 tttp -55.52 -81.95 0.01 OUTLIER 'General case' 0 N--CA 1.477 0.89 0 C-N-CA 127.352 2.261 . . . . 0.0 113.153 -164.494 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 4.6 mtpp -176.21 134.53 0.25 Allowed 'General case' 0 N--CA 1.474 0.772 0 C-N-CA 128.327 2.651 . . . . 0.0 108.45 168.89 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 14.4 ttmm -164.58 39.62 0.08 Allowed 'General case' 0 N--CA 1.482 1.155 0 C-N-CA 124.14 0.976 . . . . 0.0 112.754 -178.574 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 27.7 tp -141.72 150.52 41.92 Favored 'General case' 0 N--CA 1.472 0.665 0 O-C-N 120.259 -1.526 . . . . 0.0 113.568 -166.102 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--O 1.212 -0.919 0 CA-C-O 123.112 1.434 . . . . 0.0 108.375 -176.79 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.472 1.039 0 CA-C-O 118.977 -0.901 . . . . 0.0 112.22 . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 71.7 Cg_endo -64.25 165.2 20.33 Favored 'Trans proline' 0 CA--C 1.539 0.77 0 C-N-CA 122.991 2.46 . . . . 0.0 111.176 169.881 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 3' ' ' TYR . . . . . . . . . . . . 0.347 1.3 p90 -119.58 131.69 55.57 Favored 'General case' 0 N--CA 1.465 0.298 0 N-CA-C 117.253 2.316 . . . . 0.0 117.253 -175.128 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -155.62 -55.41 0.09 Allowed 'General case' 0 CA--C 1.54 0.589 0 N-CA-C 112.894 0.702 . . . . 0.0 112.894 168.834 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -61.41 -38.98 89.06 Favored 'General case' 0 N--CA 1.473 0.68 0 O-C-N 120.835 -1.166 . . . . 0.0 112.85 -175.682 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 51.1 tttt -75.85 -21.16 57.52 Favored 'General case' 0 N--CA 1.473 0.718 0 C-N-CA 124.782 1.233 . . . . 0.0 113.7 172.591 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 7' ' ' TRP . . . . . . . . . . . . . 56.9 t-105 -128.81 67.78 1.4 Allowed 'General case' 0 CA--C 1.534 0.352 0 C-N-CA 126.455 1.902 . . . . 0.0 111.216 -162.414 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 51.5 mtt 46.7 40.56 8.86 Favored 'General case' 0 CA--C 1.549 0.937 0 N-CA-C 116.176 1.917 . . . . 0.0 116.176 150.197 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -78.23 22.29 0.32 Allowed 'General case' 0 N--CA 1.472 0.641 0 N-CA-C 118.357 2.725 . . . . 0.0 118.357 -152.743 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 3.0 m 53.13 44.84 29.78 Favored 'General case' 0 N--CA 1.477 0.906 0 CA-C-N 120.162 1.347 . . . . 0.0 112.904 -179.651 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 1.8 t -70.9 120.64 16.78 Favored 'General case' 0 CA--C 1.538 0.501 0 O-C-N 121.139 -0.976 . . . . 0.0 109.322 -179.389 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 49.7 t0 -159.96 166.65 29.66 Favored 'General case' 0 CA--C 1.543 0.701 0 N-CA-C 106.786 -1.561 . . . . 0.0 106.786 -151.855 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 28.8 t -34.25 -53.61 0.5 Allowed 'General case' 0 N--CA 1.48 1.069 0 N-CA-C 117.003 2.223 . . . . 0.0 117.003 -164.725 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 29.8 tt0 -96.17 -23.46 16.73 Favored 'General case' 0 CA--C 1.542 0.639 0 N-CA-C 114.639 1.348 . . . . 0.0 114.639 179.151 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -87.07 124.58 33.39 Favored 'General case' 0 N--CA 1.465 0.318 0 O-C-N 121.44 -0.787 . . . . 0.0 111.879 -157.966 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 29.0 tptp -51.12 130.46 26.17 Favored 'General case' 0 N--CA 1.468 0.459 0 C-N-CA 126.483 1.913 . . . . 0.0 113.441 -172.033 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 41.0 t -73.68 136.61 43.8 Favored 'General case' 0 CA--C 1.535 0.377 0 N-CA-C 110.276 -0.268 . . . . 0.0 110.276 163.184 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 1.7 t -52.7 -48.39 66.61 Favored 'General case' 0 CA--C 1.542 0.646 0 C-N-CA 125.499 1.52 . . . . 0.0 114.195 -173.168 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -132.76 -1.46 3.39 Favored 'General case' 0 CA--C 1.552 1.054 0 N-CA-C 114.278 1.214 . . . . 0.0 114.278 -177.005 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 117.52 -9.11 14.98 Favored Glycine 0 CA--C 1.545 1.962 0 C-N-CA 125.831 1.682 . . . . 0.0 117.154 174.546 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -74.08 -163.42 0.18 Allowed 'General case' 0 CA--C 1.551 0.981 0 C-N-CA 126.491 1.916 . . . . 0.0 115.27 -176.278 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 39.9 t -72.77 106.84 3.08 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.847 0 C-N-CA 125.472 1.509 . . . . 0.0 113.187 -162.504 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 42.5 t -96.22 90.94 5.66 Favored 'General case' 0 CA--C 1.539 0.526 0 C-N-CA 125.739 1.616 . . . . 0.0 111.725 -167.446 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 1.5 mpt_? -145.02 78.5 1.56 Allowed 'General case' 0 N--CA 1.483 1.184 0 C-N-CA 124.796 1.238 . . . . 0.0 112.75 -178.679 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 20.5 mt 68.74 -7.79 0.7 Allowed 'General case' 0 N--CA 1.482 1.141 0 C-N-CA 126.579 1.952 . . . . 0.0 114.657 -168.993 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 26' ' ' TRP . . . . . 0.541 ' CG ' ' HE2' ' A' ' 28' ' ' LYS . 2.2 p-90 -156.49 178.32 10.45 Favored 'General case' 0 CA--C 1.539 0.527 0 C-N-CA 129.248 3.019 . . . . 0.0 110.612 176.985 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -139.2 69.29 1.37 Allowed 'General case' 0 CA--C 1.546 0.798 0 CA-C-N 120.042 1.292 . . . . 0.0 113.651 175.603 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . 0.541 ' HE2' ' CG ' ' A' ' 26' ' ' TRP . 1.5 mptp? -71.98 145.04 48.64 Favored 'General case' 0 N--CA 1.478 0.928 0 C-N-CA 125.897 1.679 . . . . 0.0 113.245 -178.446 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 36.9 tttm -68.92 119.76 13.75 Favored 'General case' 0 N--CA 1.478 0.928 0 C-N-CA 123.692 0.797 . . . . 0.0 110.87 177.645 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 60.1 tttm -160.14 80.95 0.69 Allowed 'General case' 0 N--CA 1.471 0.596 0 C-N-CA 125.059 1.344 . . . . 0.0 110.465 -173.85 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 7.5 tt -154.03 142.98 21.13 Favored 'General case' 0 N--CA 1.47 0.529 0 C-N-CA 127.186 2.194 . . . . 0.0 108.027 -179.109 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--O 1.205 -1.258 0 CA-C-N 118.515 0.598 . . . . 0.0 111.577 -174.611 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.473 1.115 0 CA-C-O 118.854 -0.97 . . . . 0.0 111.266 . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 96.7 Cg_endo -77.7 75.34 4.79 Favored 'Trans proline' 0 CA--C 1.54 0.78 0 C-N-CA 124.417 3.411 . . . . 0.0 112.215 -172.557 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 3' ' ' TYR . . . . . . . . . . . . 0.277 74.6 m-85 -91.78 62.58 4.42 Favored 'General case' 0 C--O 1.236 0.377 0 N-CA-C 114.144 1.164 . . . . 0.0 114.144 -178.049 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 1.1 p -141.63 -28.6 0.64 Allowed 'General case' 0 CA--C 1.545 0.757 0 N-CA-C 115.075 1.509 . . . . 0.0 115.075 -161.99 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -90.07 -45.89 8.85 Favored 'General case' 0 N--CA 1.47 0.56 0 CA-C-N 119.77 1.168 . . . . 0.0 110.668 166.529 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 8.3 ttmt -64.97 -13.08 56.6 Favored 'General case' 0 N--CA 1.475 0.792 0 O-C-N 121.05 -1.031 . . . . 0.0 112.635 171.147 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 7' ' ' TRP . . . . . . . . . . . . . 8.1 m95 -135.6 31.31 3.11 Favored 'General case' 0 CA--C 1.542 0.657 0 C-N-CA 127.796 2.438 . . . . 0.0 114.528 -173.086 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 75.8 mtm 45.23 61.67 2.46 Favored 'General case' 0 CA--C 1.549 0.907 0 N-CA-C 116.924 2.194 . . . . 0.0 116.924 159.145 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 2.8 pt20 -66.5 25.25 0.02 OUTLIER 'General case' 0 CA--C 1.552 1.053 0 N-CA-C 119.577 3.177 . . . . 0.0 119.577 -170.804 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 6.8 m 57.96 55.11 5.52 Favored 'General case' 0 N--CA 1.486 1.357 0 CA-C-N 121.607 2.003 . . . . 0.0 113.533 170.787 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 1.3 t -84.44 80.92 9.06 Favored 'General case' 0 CA--C 1.545 0.786 0 N-CA-C 113.875 1.065 . . . . 0.0 113.875 -160.578 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 43.6 m-20 -71.24 179.21 2.96 Favored 'General case' 0 CA--C 1.555 1.141 0 C-N-CA 126.475 1.91 . . . . 0.0 115.463 166.983 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 44.5 t -54.7 -42.64 71.7 Favored 'General case' 0 N--CA 1.484 1.271 0 O-C-N 120.468 -1.395 . . . . 0.0 113.381 173.43 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 37.1 tt0 -67.84 -27.64 66.88 Favored 'General case' 0 N--CA 1.473 0.682 0 C-N-CA 124.779 1.232 . . . . 0.0 114.016 176.548 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -80.08 127.25 32.08 Favored 'General case' 0 N--CA 1.468 0.441 0 O-C-N 120.809 -1.182 . . . . 0.0 111.07 -165.447 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 16.1 mmtp -61.7 125.2 22.99 Favored 'General case' 0 N--CA 1.471 0.608 0 O-C-N 121.523 -0.735 . . . . 0.0 109.815 169.587 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 49.3 t -63.49 145.26 56.01 Favored 'General case' 0 CA--C 1.54 0.566 0 CA-C-N 118.8 0.727 . . . . 0.0 110.81 168.546 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 28.1 t -71.01 -36.99 72.64 Favored 'General case' 0 CA--C 1.542 0.673 0 C-N-CA 124.852 1.261 . . . . 0.0 113.843 -175.15 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 11.6 mt-10 -140.52 13.0 2.34 Favored 'General case' 0 N--CA 1.476 0.868 0 N-CA-C 114.471 1.286 . . . . 0.0 114.471 -164.026 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 72.3 56.08 6.49 Favored Glycine 0 CA--C 1.536 1.344 0 O-C-N 120.549 -1.344 . . . . 0.0 112.576 -175.638 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 25.4 mmt -139.07 -175.79 4.28 Favored 'General case' 0 N--CA 1.471 0.578 0 C-N-CA 126.086 1.754 . . . . 0.0 111.175 -165.54 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 47.9 t -67.81 107.4 1.13 Allowed 'Isoleucine or valine' 0 N--CA 1.478 0.929 0 CA-C-N 118.91 0.777 . . . . 0.0 111.235 179.081 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 42.3 t -86.16 93.45 9.03 Favored 'General case' 0 CA--C 1.536 0.437 0 C-N-CA 124.639 1.176 . . . . 0.0 110.087 174.64 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . 0.464 ' C ' ' H ' ' A' ' 26' ' ' TRP . 3.9 mpt_? -152.66 106.44 3.08 Favored 'General case' 0 N--CA 1.477 0.875 0 C-N-CA 126.186 1.794 . . . . 0.0 110.787 173.329 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 11.8 mt 61.22 -18.53 0.03 OUTLIER 'General case' 0 N--CA 1.484 1.274 0 N-CA-C 116.281 1.956 . . . . 0.0 116.281 -171.38 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 26' ' ' TRP . . . . . 0.464 ' H ' ' C ' ' A' ' 24' ' ' ARG . 1.6 p-90 -158.23 -177.62 6.68 Favored 'General case' 0 C--N 1.324 -0.517 0 C-N-CA 130.181 3.392 . . . . 0.0 109.321 -179.134 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 1.6 m -111.51 145.5 38.96 Favored 'General case' 0 CA--C 1.532 0.256 0 N-CA-C 108.408 -0.96 . . . . 0.0 108.408 146.589 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 67.9 mmtt -139.21 131.75 28.72 Favored 'General case' 0 N--CA 1.474 0.732 0 C-N-CA 125.518 1.527 . . . . 0.0 108.841 -179.853 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 80.1 mttt -51.93 126.45 18.27 Favored 'General case' 0 N--CA 1.477 0.918 0 CA-C-N 118.408 0.549 . . . . 0.0 112.126 -175.951 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 66.3 tttt -154.75 64.12 0.66 Allowed 'General case' 0 N--CA 1.469 0.512 0 C-N-CA 127.084 2.154 . . . . 0.0 108.946 177.675 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 1.2 mt -158.88 156.35 29.43 Favored 'General case' 0 C--N 1.326 -0.446 0 C-N-CA 125.643 1.577 . . . . 0.0 109.453 174.8 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 5.6 mp . . . . . 0 C--O 1.204 -1.334 0 N-CA-C 107.125 -1.435 . . . . 0.0 107.125 -175.049 . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.471 0.967 0 CA-C-O 118.465 -1.186 . . . . 0.0 110.864 . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 71.7 Cg_endo -77.98 -26.73 6.33 Favored 'Trans proline' 0 CA--C 1.541 0.844 0 C-N-CA 122.509 2.139 . . . . 0.0 114.462 -173.178 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 3' ' ' TYR . . . . . . . . . . . . 0.41 53.0 m-85 51.33 45.82 27.38 Favored 'General case' 0 CA--C 1.539 0.553 0 N-CA-C 119.124 3.009 . . . . 0.0 119.124 166.145 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 4.4 p -135.85 -9.34 2.09 Favored 'General case' 0 CA--C 1.543 0.691 0 N-CA-C 116.217 1.932 . . . . 0.0 116.217 -166.871 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -108.47 -46.92 3.6 Favored 'General case' 0 N--CA 1.469 0.497 0 C-N-CA 125.653 1.581 . . . . 0.0 110.693 178.429 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 4.9 ttmm -85.59 0.73 51.69 Favored 'General case' 0 CA--C 1.536 0.42 0 C-N-CA 124.979 1.312 . . . . 0.0 113.015 173.576 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 7' ' ' TRP . . . . . . . . . . . . . 52.1 t-105 -152.31 145.22 24.43 Favored 'General case' 0 CA--C 1.537 0.468 0 C-N-CA 125.999 1.72 . . . . 0.0 108.688 -175.746 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 27.3 mtt -83.61 94.75 8.16 Favored 'General case' 0 N--CA 1.471 0.617 0 N-CA-C 113.493 0.923 . . . . 0.0 113.493 -160.464 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 2.3 pt20 -71.77 -5.19 32.31 Favored 'General case' 0 CA--C 1.545 0.75 0 N-CA-C 117.704 2.483 . . . . 0.0 117.704 -172.977 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 8.7 m 55.15 79.22 0.16 Allowed 'General case' 0 N--CA 1.482 1.145 0 CA-C-N 121.547 1.976 . . . . 0.0 112.379 -167.687 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 3.4 t -81.29 67.73 7.33 Favored 'General case' 0 CA--C 1.547 0.831 0 C-N-CA 124.034 0.934 . . . . 0.0 113.447 -173.502 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -55.13 151.0 9.84 Favored 'General case' 0 CA--C 1.539 0.526 0 C-N-CA 123.605 0.762 . . . . 0.0 112.063 159.366 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 60.0 p -64.11 -4.26 3.4 Favored 'General case' 0 N--CA 1.482 1.167 0 N-CA-C 116.13 1.9 . . . . 0.0 116.13 179.188 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 12.5 pt-20 -91.86 -9.82 41.93 Favored 'General case' 0 CA--C 1.544 0.739 0 C-N-CA 124.995 1.318 . . . . 0.0 114.194 169.731 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 14.5 ttt180 -94.9 142.23 27.71 Favored 'General case' 0 N--CA 1.472 0.665 0 CA-C-N 119.533 1.06 . . . . 0.0 112.83 -173.125 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 10.3 ptpt -48.71 97.91 0.01 OUTLIER 'General case' 0 N--CA 1.475 0.783 0 C-N-CA 126.686 1.995 . . . . 0.0 113.22 162.96 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 37.4 t -66.56 120.86 14.13 Favored 'General case' 0 CA--C 1.534 0.35 0 O-C-N 120.93 -1.106 . . . . 0.0 109.557 176.081 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 6.0 t -50.07 -48.96 52.81 Favored 'General case' 0 CA--C 1.538 0.491 0 N-CA-C 115.793 1.775 . . . . 0.0 115.793 -157.183 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 27.8 mm-40 -116.66 16.89 15.39 Favored 'General case' 0 CA--C 1.546 0.821 0 C-N-CA 125.887 1.675 . . . . 0.0 111.276 175.391 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 73.48 12.49 80.21 Favored Glycine 0 CA--C 1.534 1.241 0 N-CA-C 116.286 1.274 . . . . 0.0 116.286 -179.828 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 20.7 ptp -124.61 119.3 28.63 Favored 'General case' 0 CA--C 1.538 0.516 0 CA-C-N 119.144 1.472 . . . . 0.0 114.796 -171.069 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . 0.314 8.1 t 53.99 65.2 0.18 Allowed 'Isoleucine or valine' 0 N--CA 1.479 1.014 0 C-N-CA 127.344 2.258 . . . . 0.0 114.238 168.896 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 42.0 t -65.85 85.01 0.08 Allowed 'General case' 0 CA--C 1.538 0.487 0 C-N-CA 127.584 2.354 . . . . 0.0 111.305 175.092 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 1.5 mpt_? -135.61 87.25 2.3 Favored 'General case' 0 N--CA 1.476 0.873 0 C-N-CA 126.436 1.894 . . . . 0.0 110.212 175.939 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 23.7 mt 61.26 -18.21 0.04 OUTLIER 'General case' 0 CA--C 1.546 0.817 0 C-N-CA 127.985 2.514 . . . . 0.0 115.198 -166.017 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 26' ' ' TRP . . . . . . . . . . . . . 5.1 p-90 -156.4 -174.62 5.03 Favored 'General case' 0 CA--C 1.54 0.593 0 C-N-CA 127.645 2.378 . . . . 0.0 111.016 173.343 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 94.9 m -133.44 68.58 1.49 Allowed 'General case' 0 CA--C 1.546 0.806 0 C-N-CA 124.925 1.29 . . . . 0.0 110.84 174.174 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 13.0 tmtt? -63.39 -56.53 15.53 Favored 'General case' 0 N--CA 1.482 1.166 0 C-N-CA 126.189 1.796 . . . . 0.0 114.631 -165.97 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 9.5 mtpt 171.87 136.42 0.03 OUTLIER 'General case' 0 N--CA 1.476 0.845 0 C-N-CA 129.074 2.95 . . . . 0.0 108.036 171.092 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -161.9 34.28 0.12 Allowed 'General case' 0 N--CA 1.481 1.09 0 C-N-CA 124.674 1.19 . . . . 0.0 112.343 172.528 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 48.3 tp -144.99 125.09 13.62 Favored 'General case' 0 N--CA 1.466 0.334 0 O-C-N 120.88 -1.137 . . . . 0.0 111.552 175.728 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 91.2 mt . . . . . 0 C--O 1.212 -0.878 0 C-N-CA 124.887 1.275 . . . . 0.0 109.224 -169.726 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 3' ' ' TYR . . . . . . . . . . . . 0.328 2.5 p90 . . . . . 0 N--CA 1.465 0.286 0 N-CA-C 115.352 1.612 . . . . 0.0 115.352 . . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 2.7 p -154.17 -71.79 0.13 Allowed 'General case' 0 CA--C 1.537 0.474 0 C-N-CA 123.368 0.667 . . . . 0.0 112.489 -171.325 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -61.52 -60.47 3.66 Favored 'General case' 0 N--CA 1.472 0.658 0 CA-C-N 118.801 0.728 . . . . 0.0 111.099 179.945 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 21.1 ttpp -78.87 36.21 0.27 Allowed 'General case' 0 N--CA 1.479 0.998 0 O-C-N 120.979 -1.076 . . . . 0.0 113.579 170.019 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 7' ' ' TRP . . . . . . . . . . . . . 11.9 t90 -144.62 10.51 1.41 Allowed 'General case' 0 CA--C 1.547 0.859 0 C-N-CA 125.445 1.498 . . . . 0.0 111.248 165.526 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 8' ' ' MET . . . . . . . . . . . . 0.253 38.0 mtm 59.29 57.52 3.37 Favored 'General case' 0 CA--C 1.539 0.52 0 C-N-CA 125.783 1.633 . . . . 0.0 114.19 171.641 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 4.9 pt20 -59.46 45.68 0.0 OUTLIER 'General case' 0 CA--C 1.555 1.146 0 C-N-CA 129.722 3.209 . . . . 0.0 119.262 -175.746 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 4.2 m 44.77 58.88 3.67 Favored 'General case' 0 N--CA 1.487 1.395 0 N-CA-C 115.174 1.546 . . . . 0.0 115.174 152.858 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 7.1 t -82.11 140.27 33.92 Favored 'General case' 0 CA--C 1.543 0.704 0 N-CA-C 115.125 1.528 . . . . 0.0 115.125 -158.363 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 62.3 m-20 -138.63 168.72 19.17 Favored 'General case' 0 CA--C 1.55 0.975 0 C-N-CA 129.93 3.292 . . . . 0.0 107.796 -175.577 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 44.0 t -69.92 13.0 0.16 Allowed 'General case' 0 N--CA 1.491 1.605 0 O-C-N 120.107 -1.621 . . . . 0.0 114.427 174.752 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 14.7 pt-20 -131.28 1.28 4.17 Favored 'General case' 0 CA--C 1.539 0.546 0 C-N-CA 127.57 2.348 . . . . 0.0 111.955 -179.142 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -93.25 133.9 35.99 Favored 'General case' 0 C--N 1.344 0.368 0 CA-C-O 122.389 1.09 . . . . 0.0 110.812 -171.565 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 12.2 mptt -75.44 63.91 1.52 Allowed 'General case' 0 CA--C 1.542 0.635 0 C-N-CA 127.887 2.475 . . . . 0.0 111.233 -178.279 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 42.5 t -61.67 107.26 0.79 Allowed 'General case' 0 CA--C 1.534 0.343 0 C-N-CA 126.608 1.963 . . . . 0.0 110.05 -172.073 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 59.0 m -66.89 -15.2 63.49 Favored 'General case' 0 CA--C 1.539 0.541 0 N-CA-C 114.352 1.242 . . . . 0.0 114.352 -161.506 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 70.9 mm-40 -130.03 4.1 4.87 Favored 'General case' 0 CA--C 1.544 0.722 0 N-CA-C 114.115 1.154 . . . . 0.0 114.115 177.371 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 64.76 13.44 56.29 Favored Glycine 0 CA--C 1.539 1.546 0 N-CA-C 116.533 1.373 . . . . 0.0 116.533 178.538 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 14.3 ptp -109.6 124.68 51.56 Favored 'General case' 0 N--CA 1.469 0.496 0 C-N-CA 125.956 1.702 . . . . 0.0 112.561 -170.01 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 2.9 t 49.65 70.69 0.11 Allowed 'Isoleucine or valine' 0 N--CA 1.471 0.621 0 C-N-CA 125.895 1.678 . . . . 0.0 114.71 173.832 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 35.2 t -72.93 58.11 0.46 Allowed 'General case' 0 CA--C 1.548 0.899 0 C-N-CA 124.241 1.016 . . . . 0.0 111.998 172.772 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 5.7 mpt_? -125.15 109.74 13.25 Favored 'General case' 0 N--CA 1.47 0.547 0 C-N-CA 126.446 1.899 . . . . 0.0 109.281 174.247 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 4.7 mp 57.81 -19.32 0.02 OUTLIER 'General case' 0 N--CA 1.478 0.949 0 C-N-CA 127.911 2.484 . . . . 0.0 116.724 -172.224 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 26' ' ' TRP . . . . . . . . . . . . . 0.1 OUTLIER -159.82 -159.81 0.76 Allowed 'General case' 0 CA--C 1.544 0.727 0 C-N-CA 128.846 2.858 . . . . 0.0 110.359 -177.86 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 96.5 m -131.51 123.98 29.16 Favored 'General case' 0 N--CA 1.469 0.522 0 C-N-CA 124.362 1.065 . . . . 0.0 109.098 161.116 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 8.0 mmmm -151.67 155.87 39.23 Favored 'General case' 0 N--CA 1.48 1.063 0 C-N-CA 127.551 2.34 . . . . 0.0 109.277 -170.123 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 25.2 ttpt -79.42 135.75 36.77 Favored 'General case' 0 N--CA 1.479 1.018 0 O-C-N 120.174 -1.578 . . . . 0.0 112.827 -176.892 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 16.7 ttmm -146.78 96.32 2.73 Favored 'General case' 0 N--CA 1.48 1.068 0 C-N-CA 126.719 2.007 . . . . 0.0 108.507 165.057 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 5.8 tt . . . . . 0 N--CA 1.472 0.659 0 C-N-CA 124.465 1.106 . . . . 0.0 112.933 -167.455 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 47.3 m-85 . . . . . 0 CA--C 1.537 0.444 0 N-CA-C 116.406 2.002 . . . . 0.0 116.406 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 1.2 p -153.78 -22.01 0.14 Allowed 'General case' 0 CA--C 1.546 0.802 0 N-CA-C 116.17 1.915 . . . . 0.0 116.17 -175.267 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -93.6 -34.68 13.22 Favored 'General case' 0 CA--C 1.537 0.468 0 C-N-CA 125.3 1.44 . . . . 0.0 110.379 164.674 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 43.6 tttm -82.8 -3.31 56.51 Favored 'General case' 0 CA--C 1.546 0.794 0 C-N-CA 124.754 1.222 . . . . 0.0 113.671 175.057 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 7' ' ' TRP . . . . . . . . . . . . . 41.8 t-105 -155.57 149.12 25.05 Favored 'General case' 0 N--CA 1.474 0.746 0 C-N-CA 126.209 1.804 . . . . 0.0 110.197 -163.724 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 33.4 mtp -71.97 88.14 1.05 Allowed 'General case' 0 N--CA 1.474 0.774 0 N-CA-C 113.587 0.958 . . . . 0.0 113.587 -178.515 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 7.7 pt20 -70.77 -4.57 24.58 Favored 'General case' 0 N--CA 1.474 0.753 0 N-CA-C 115.558 1.688 . . . . 0.0 115.558 179.735 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 2.9 m 50.46 66.88 1.03 Allowed 'General case' 0 N--CA 1.477 0.879 0 C-N-CA 125.253 1.421 . . . . 0.0 111.406 -166.1 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 2.0 t -69.75 81.6 0.44 Allowed 'General case' 0 CA--C 1.541 0.612 0 C-N-CA 124.96 1.304 . . . . 0.0 111.502 -178.959 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 14.2 m-20 -70.28 145.56 51.2 Favored 'General case' 0 CA--C 1.536 0.441 0 C-N-CA 125.629 1.572 . . . . 0.0 113.878 157.02 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 21.2 t -72.93 19.17 0.09 Allowed 'General case' 0 N--CA 1.482 1.141 0 N-CA-C 115.857 1.799 . . . . 0.0 115.857 -172.118 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 15.9 pt-20 -105.34 -6.58 19.49 Favored 'General case' 0 N--CA 1.475 0.781 0 C-N-CA 125.986 1.714 . . . . 0.0 112.633 164.564 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 8.3 ttt180 -95.74 152.12 18.76 Favored 'General case' 0 N--CA 1.466 0.343 0 C-N-CA 125.09 1.356 . . . . 0.0 112.863 -165.835 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 4.8 ptpp? -64.23 93.01 0.09 Allowed 'General case' 0 CA--C 1.538 0.485 0 C-N-CA 125.194 1.397 . . . . 0.0 110.879 158.519 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 10.5 t -56.93 135.16 56.04 Favored 'General case' 0 CA--C 1.532 0.262 0 C-N-CA 124.007 0.923 . . . . 0.0 109.634 163.64 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 0.9 OUTLIER -50.52 -49.29 56.09 Favored 'General case' 0 CA--C 1.54 0.567 0 N-CA-C 115.78 1.77 . . . . 0.0 115.78 -164.882 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 15.1 mm-40 -107.48 -10.6 15.68 Favored 'General case' 0 N--CA 1.479 0.977 0 C-N-CA 123.61 0.764 . . . . 0.0 112.803 177.061 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 95.04 20.29 28.56 Favored Glycine 0 CA--C 1.535 1.341 0 C-N-CA 125.213 1.387 . . . . 0.0 116.041 -174.932 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -76.75 179.87 5.8 Favored 'General case' 0 CA--C 1.547 0.855 0 CA-C-N 119.005 1.403 . . . . 0.0 113.01 168.214 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -65.93 114.78 3.36 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.76 0 CA-C-O 122.351 1.072 . . . . 0.0 109.275 -179.094 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 41.8 t -76.21 117.88 18.36 Favored 'General case' 0 CA--C 1.544 0.729 0 C-N-CA 127.314 2.245 . . . . 0.0 111.832 -175.572 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 2.6 mpt_? -147.15 82.64 1.55 Allowed 'General case' 0 N--CA 1.489 1.478 0 C-N-CA 125.03 1.332 . . . . 0.0 112.063 174.792 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 78.8 mt 59.71 -14.11 0.03 OUTLIER 'General case' 0 N--CA 1.484 1.264 0 C-N-CA 126.723 2.009 . . . . 0.0 115.76 -172.297 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 26' ' ' TRP . . . . . . . . . . . . . 1.8 p-90 -151.31 175.9 11.77 Favored 'General case' 0 C--N 1.322 -0.619 0 C-N-CA 127.959 2.504 . . . . 0.0 110.226 170.875 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 29.5 m -120.98 42.42 3.05 Favored 'General case' 0 CA--C 1.541 0.599 0 C-N-CA 124.217 1.007 . . . . 0.0 110.308 160.817 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 62.2 tttm -44.1 -57.99 3.09 Favored 'General case' 0 N--CA 1.473 0.705 0 C-N-CA 129.967 3.307 . . . . 0.0 113.322 -168.526 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 4.6 ttmm -166.77 149.96 6.76 Favored 'General case' 0 N--CA 1.474 0.74 0 C-N-CA 125.063 1.345 . . . . 0.0 109.861 139.078 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 2.4 tmtp? -158.31 69.99 0.53 Allowed 'General case' 0 N--CA 1.479 1.007 0 C-N-CA 124.6 1.16 . . . . 0.0 110.504 166.951 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 3.3 tm? . . . . . 0 N--CA 1.466 0.358 0 C-N-CA 124.334 1.053 . . . . 0.0 109.198 171.05 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 96.9 m-85 . . . . . 0 CA--C 1.537 0.46 0 N-CA-C 110.402 -0.222 . . . . 0.0 110.402 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 4' ' ' CYS . . . . . . . . . . . . 0.257 0.7 OUTLIER -124.3 -64.06 1.15 Allowed 'General case' 0 CA--C 1.539 0.524 0 N-CA-C 113.132 0.79 . . . . 0.0 113.132 175.001 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -59.56 -54.03 51.25 Favored 'General case' 0 N--CA 1.47 0.553 0 C-N-CA 123.765 0.826 . . . . 0.0 111.433 175.267 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 29.2 tttm -72.23 7.94 1.53 Allowed 'General case' 0 N--CA 1.472 0.649 0 C-N-CA 125.359 1.464 . . . . 0.0 113.931 178.061 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 7' ' ' TRP . . . . . . . . . . . . . 60.9 t-105 -126.13 -4.21 6.85 Favored 'General case' 0 N--CA 1.469 0.517 0 C-N-CA 125.658 1.583 . . . . 0.0 113.313 -171.655 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 59.3 mtm 57.25 56.59 5.04 Favored 'General case' 0 N--CA 1.473 0.685 0 O-C-N 121.507 -0.746 . . . . 0.0 112.462 -174.123 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 6.3 pt20 -58.63 33.85 0.01 OUTLIER 'General case' 0 CA--C 1.553 1.062 0 C-N-CA 129.459 3.104 . . . . 0.0 118.291 -177.393 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER 52.21 54.39 10.84 Favored 'General case' 0 N--CA 1.475 0.814 0 C-N-CA 125.176 1.39 . . . . 0.0 111.947 170.957 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -75.82 68.48 2.37 Favored 'General case' 0 CA--C 1.543 0.698 0 C-N-CA 126.642 1.977 . . . . 0.0 113.089 -160.903 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 21.5 m-20 -65.02 176.96 1.08 Allowed 'General case' 0 CA--C 1.544 0.723 0 C-N-CA 128.724 2.809 . . . . 0.0 117.285 173.86 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 37.1 t -60.09 -29.11 68.36 Favored 'General case' 0 N--CA 1.478 0.942 0 N-CA-C 114.51 1.3 . . . . 0.0 114.51 -177.901 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 6.9 tp10 -78.82 -26.33 44.22 Favored 'General case' 0 CA--C 1.542 0.642 0 CA-C-N 120.407 1.458 . . . . 0.0 112.536 173.519 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -85.56 107.98 17.74 Favored 'General case' 0 N--CA 1.463 0.207 0 CA-C-O 121.617 0.722 . . . . 0.0 112.003 -136.12 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 18.0 ptmt -40.43 100.87 0.02 OUTLIER 'General case' 0 N--CA 1.471 0.612 0 C-N-CA 127.808 2.443 . . . . 0.0 113.617 172.245 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 28.2 t -72.05 130.62 41.35 Favored 'General case' 0 CA--C 1.534 0.358 0 O-C-N 121.371 -0.831 . . . . 0.0 110.59 173.66 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -36.06 -51.03 0.73 Allowed 'General case' 0 CA--C 1.545 0.776 0 C-N-CA 128.777 2.831 . . . . 0.0 113.596 176.883 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 3.1 mm-40 -113.36 -1.5 14.21 Favored 'General case' 0 N--CA 1.474 0.77 0 C-N-CA 125.502 1.521 . . . . 0.0 113.054 -178.377 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 71.4 23.2 78.33 Favored Glycine 0 CA--C 1.535 1.334 0 O-C-N 120.497 -1.377 . . . . 0.0 115.997 -174.459 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 30.6 mmt -70.31 -177.13 1.35 Allowed 'General case' 0 N--CA 1.475 0.802 0 CA-C-N 119.387 1.594 . . . . 0.0 111.082 171.067 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 65.3 t -52.45 114.12 0.43 Allowed 'Isoleucine or valine' 0 N--CA 1.472 0.645 0 C-N-CA 125.144 1.377 . . . . 0.0 110.526 170.099 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 40.7 t -109.83 110.96 22.11 Favored 'General case' 0 C--O 1.237 0.396 0 C-N-CA 125.604 1.561 . . . . 0.0 109.357 -176.574 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 2.0 mpt_? -156.31 95.21 1.57 Allowed 'General case' 0 N--CA 1.481 1.085 0 C-N-CA 127.268 2.227 . . . . 0.0 109.411 171.996 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 18.9 mt 66.6 -32.66 0.18 Allowed 'General case' 0 N--CA 1.486 1.355 0 C-N-CA 126.832 2.053 . . . . 0.0 114.827 -171.656 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 26' ' ' TRP . . . . . . . . . . . . . 10.0 p-90 -140.02 174.42 10.53 Favored 'General case' 0 CA--C 1.538 0.506 0 C-N-CA 127.594 2.358 . . . . 0.0 111.769 170.827 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 8.9 t -153.23 80.0 1.18 Allowed 'General case' 0 CA--C 1.545 0.786 0 C-N-CA 123.793 0.837 . . . . 0.0 111.397 -178.191 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 1.2 mptm? -80.17 -84.62 0.09 Allowed 'General case' 0 N--CA 1.481 1.111 0 C-N-CA 124.38 1.072 . . . . 0.0 113.759 -171.705 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -162.45 137.04 6.7 Favored 'General case' 0 N--CA 1.472 0.666 0 C-N-CA 125.034 1.333 . . . . 0.0 109.941 177.831 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 4.6 tptt -163.85 44.47 0.11 Allowed 'General case' 0 N--CA 1.472 0.666 0 C-N-CA 124.644 1.178 . . . . 0.0 111.978 -179.564 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 24.8 tp . . . . . 0 N--CA 1.47 0.57 0 C-N-CA 124.384 1.074 . . . . 0.0 111.29 178.427 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 3' ' ' TYR . . . . . . . . . . . . 0.407 0.9 OUTLIER . . . . . 0 N--CA 1.463 0.179 0 N-CA-C 115.02 1.489 . . . . 0.0 115.02 . . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -130.13 -58.87 1.06 Allowed 'General case' 0 CA--C 1.535 0.385 0 N-CA-C 113.526 0.935 . . . . 0.0 113.526 -170.882 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -64.26 -24.08 67.53 Favored 'General case' 0 CA--C 1.546 0.812 0 C-N-CA 125.503 1.521 . . . . 0.0 112.2 165.698 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 13.4 mmtt -77.96 -14.55 59.49 Favored 'General case' 0 CA--C 1.538 0.518 0 C-N-CA 127.465 2.306 . . . . 0.0 115.855 168.346 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 7' ' ' TRP . . . . . . . . . . . . . 26.7 t-105 -155.37 35.57 0.37 Allowed 'General case' 0 N--CA 1.477 0.91 0 CA-C-N 120.523 1.51 . . . . 0.0 114.992 -164.228 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 76.2 mtm 48.03 57.28 6.24 Favored 'General case' 0 CA--C 1.545 0.781 0 N-CA-C 115.048 1.499 . . . . 0.0 115.048 168.573 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 14.8 pt20 -60.04 8.22 0.02 OUTLIER 'General case' 0 N--CA 1.48 1.028 0 N-CA-C 118.971 2.952 . . . . 0.0 118.971 -161.352 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 9.8 m 56.36 74.22 0.41 Allowed 'General case' 0 N--CA 1.473 0.713 0 CA-C-N 120.172 1.351 . . . . 0.0 111.15 -161.528 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -76.16 72.33 2.95 Favored 'General case' 0 CA--C 1.538 0.499 0 O-C-N 121.303 -0.873 . . . . 0.0 111.644 172.426 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 72.3 m-20 -58.19 162.44 3.52 Favored 'General case' 0 CA--C 1.54 0.59 0 CA-C-N 114.968 -1.015 . . . . 0.0 110.892 153.264 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 5.4 t -56.59 -33.0 65.77 Favored 'General case' 0 N--CA 1.477 0.881 0 O-C-N 120.868 -1.145 . . . . 0.0 113.826 173.524 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 92.1 mt-10 -79.55 -4.78 52.97 Favored 'General case' 0 CA--C 1.546 0.809 0 N-CA-C 113.952 1.093 . . . . 0.0 113.952 175.86 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -82.24 132.78 35.23 Favored 'General case' 0 N--CA 1.469 0.482 0 O-C-N 120.327 -1.483 . . . . 0.0 111.472 -177.183 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 22.3 mtpp -70.92 94.26 1.05 Allowed 'General case' 0 N--CA 1.467 0.419 0 C-N-CA 124.327 1.051 . . . . 0.0 110.997 166.583 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 52.9 t -61.34 126.34 26.99 Favored 'General case' 0 CA--C 1.534 0.351 0 C-N-CA 123.342 0.657 . . . . 0.0 110.418 179.939 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -40.15 -50.7 2.67 Favored 'General case' 0 N--CA 1.471 0.59 0 C-N-CA 126.238 1.815 . . . . 0.0 113.962 -169.621 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -127.46 15.13 7.13 Favored 'General case' 0 CA--C 1.553 1.072 0 C-N-CA 125.303 1.441 . . . . 0.0 112.007 175.79 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 70.04 -12.4 1.69 Allowed Glycine 0 CA--C 1.543 1.807 0 O-C-N 119.838 -1.788 . . . . 0.0 116.836 -170.39 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 21' ' ' MET . . . . . 0.473 ' SD ' ' HA ' ' A' ' 29' ' ' LYS . 8.3 ptp -67.46 107.82 2.59 Favored 'General case' 0 CA--C 1.544 0.719 0 O-C-N 120.549 -1.56 . . . . 0.0 114.363 178.197 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . 0.311 1.0 OUTLIER 68.62 48.0 0.11 Allowed 'Isoleucine or valine' 0 N--CA 1.479 1.025 0 N-CA-C 118.113 2.635 . . . . 0.0 118.113 171.156 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 49.9 t -69.18 84.78 0.36 Allowed 'General case' 0 N--CA 1.477 0.88 0 CA-C-N 120.422 1.464 . . . . 0.0 113.537 -179.579 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -145.04 87.69 1.84 Allowed 'General case' 0 N--CA 1.478 0.964 0 C-N-CA 126.668 1.987 . . . . 0.0 110.096 175.384 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 44.1 mt 62.72 -18.45 0.05 OUTLIER 'General case' 0 N--CA 1.482 1.152 0 C-N-CA 126.655 1.982 . . . . 0.0 115.465 -167.624 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 26' ' ' TRP . . . . . . . . . . . . . 3.4 p-90 -151.28 -166.55 2.56 Favored 'General case' 0 C--N 1.326 -0.452 0 C-N-CA 126.294 1.838 . . . . 0.0 110.975 172.821 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 94.7 m -142.0 136.77 30.61 Favored 'General case' 0 CA--C 1.539 0.532 0 C-N-CA 125.547 1.539 . . . . 0.0 108.378 173.667 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 3.6 tmtm? -120.16 -97.14 0.46 Allowed 'General case' 0 N--CA 1.482 1.164 0 C-N-CA 124.086 0.954 . . . . 0.0 112.145 -168.731 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 29' ' ' LYS . . . . . 0.473 ' HA ' ' SD ' ' A' ' 21' ' ' MET . 39.9 tttm -164.64 131.55 3.06 Favored 'General case' 0 N--CA 1.477 0.917 0 C-N-CA 125.902 1.681 . . . . 0.0 109.724 176.588 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -155.26 32.45 0.38 Allowed 'General case' 0 N--CA 1.483 1.201 0 N-CA-C 116.662 2.097 . . . . 0.0 116.662 -166.896 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 4.2 mm? . . . . . 0 N--CA 1.467 0.402 0 C-N-CA 125.302 1.441 . . . . 0.0 109.613 166.396 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 3' ' ' TYR . . . . . . . . . . . . 0.388 71.3 m-85 . . . . . 0 N--CA 1.468 0.468 0 N-CA-C 117.653 2.464 . . . . 0.0 117.653 . . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 0.9 OUTLIER -128.77 -54.39 1.23 Allowed 'General case' 0 CA--C 1.548 0.88 0 N-CA-C 116.168 1.914 . . . . 0.0 116.168 -162.835 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -63.1 -27.79 69.63 Favored 'General case' 0 N--CA 1.479 0.991 0 O-C-N 120.239 -1.538 . . . . 0.0 113.095 178.943 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 75.3 tttt -76.46 -18.59 58.7 Favored 'General case' 0 CA--C 1.542 0.67 0 C-N-CA 124.058 0.943 . . . . 0.0 113.42 173.576 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 7' ' ' TRP . . . . . . . . . . . . . 8.4 t-105 -152.05 52.42 0.8 Allowed 'General case' 0 CA--C 1.556 1.188 0 CA-C-N 119.643 1.11 . . . . 0.0 113.433 -144.354 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 62.3 mtt 50.56 45.51 26.59 Favored 'General case' 0 N--CA 1.49 1.571 0 N-CA-C 116.298 1.962 . . . . 0.0 116.298 161.093 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -70.72 24.96 0.04 OUTLIER 'General case' 0 CA--C 1.549 0.94 0 N-CA-C 119.927 3.306 . . . . 0.0 119.927 -160.164 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 16.4 m 44.55 57.13 4.63 Favored 'General case' 0 N--CA 1.48 1.049 0 C-N-CA 124.961 1.304 . . . . 0.0 113.474 174.195 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 5.2 t -75.86 80.61 2.77 Favored 'General case' 0 CA--C 1.54 0.575 0 C-N-CA 125.457 1.503 . . . . 0.0 112.341 -173.986 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 52.5 m-20 -66.63 166.1 13.52 Favored 'General case' 0 CA--C 1.543 0.689 0 N-CA-C 116.1 1.889 . . . . 0.0 116.1 164.469 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 26.8 t -59.16 -33.65 71.16 Favored 'General case' 0 N--CA 1.477 0.894 0 N-CA-C 115.232 1.567 . . . . 0.0 115.232 -177.816 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 25.4 mm-40 -74.45 -23.38 58.9 Favored 'General case' 0 N--CA 1.477 0.902 0 O-C-N 120.627 -1.296 . . . . 0.0 114.276 170.735 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -92.24 134.87 34.48 Favored 'General case' 0 N--CA 1.463 0.188 0 C-N-CA 123.789 0.835 . . . . 0.0 111.958 -149.669 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 20.6 ptmt -63.69 129.09 38.7 Favored 'General case' 0 N--CA 1.468 0.463 0 C-N-CA 123.725 0.81 . . . . 0.0 111.287 -177.946 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 48.0 t -95.52 124.93 39.79 Favored 'General case' 0 CA--C 1.533 0.323 0 C-N-CA 123.794 0.838 . . . . 0.0 109.811 178.141 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -48.38 -56.04 9.2 Favored 'General case' 0 CA--C 1.539 0.527 0 N-CA-C 114.919 1.452 . . . . 0.0 114.919 -156.368 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 1.7 mm-40 -111.47 27.72 9.41 Favored 'General case' 0 N--CA 1.478 0.927 0 C-N-CA 124.955 1.302 . . . . 0.0 110.592 174.262 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 61.68 31.01 76.43 Favored Glycine 0 CA--C 1.535 1.329 0 O-C-N 120.039 -1.663 . . . . 0.0 113.328 -170.692 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 19.0 mmt -80.64 -157.27 0.15 Allowed 'General case' 0 CA--C 1.547 0.844 0 C-N-CA 126.152 1.781 . . . . 0.0 113.231 -173.374 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 2.5 t -71.24 74.49 0.17 Allowed 'Isoleucine or valine' 0 CA--C 1.54 0.586 0 C-N-CA 126.443 1.897 . . . . 0.0 114.866 -176.489 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 41.9 t -66.05 91.37 0.15 Allowed 'General case' 0 CA--C 1.549 0.916 0 N-CA-C 114.184 1.179 . . . . 0.0 114.184 -176.689 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 2.6 mpt_? -148.9 87.07 1.53 Allowed 'General case' 0 N--CA 1.483 1.197 0 C-N-CA 126.889 2.076 . . . . 0.0 109.499 165.52 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 77.7 mt 59.97 -67.89 0.04 OUTLIER 'General case' 0 N--CA 1.479 1.011 0 C-N-CA 126.252 1.821 . . . . 0.0 112.896 -161.449 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 26' ' ' TRP . . . . . . . . . . . . . 0.5 OUTLIER -70.8 169.94 13.56 Favored 'General case' 0 CA--C 1.54 0.56 0 O-C-N 120.601 -1.312 . . . . 0.0 113.444 167.391 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 17.0 m -134.54 50.4 2.18 Favored 'General case' 0 N--CA 1.467 0.408 0 C-N-CA 126.635 1.974 . . . . 0.0 109.175 164.466 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 27.9 pttt -57.83 146.52 31.43 Favored 'General case' 0 N--CA 1.469 0.479 0 C-N-CA 125.72 1.608 . . . . 0.0 111.745 -179.54 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 40.9 mtpt -56.05 112.84 1.31 Allowed 'General case' 0 N--CA 1.469 0.494 0 C-N-CA 124.226 1.01 . . . . 0.0 112.279 177.076 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 10.1 tmtt? -154.47 82.78 1.11 Allowed 'General case' 0 N--CA 1.474 0.743 0 C-N-CA 125.439 1.496 . . . . 0.0 109.104 165.16 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 7.0 tt . . . . . 0 C--N 1.329 -0.283 0 C-N-CA 124.82 1.248 . . . . 0.0 109.862 175.495 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 3' ' ' TYR . . . . . . . . . . . . 0.458 45.6 m-85 . . . . . 0 N--CA 1.465 0.301 0 N-CA-C 118.103 2.631 . . . . 0.0 118.103 . . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -128.16 -72.11 0.63 Allowed 'General case' 0 CA--C 1.536 0.423 0 C-N-CA 124.109 0.964 . . . . 0.0 111.717 179.471 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -54.43 -44.83 72.8 Favored 'General case' 0 N--CA 1.474 0.766 0 O-C-N 121.102 -0.999 . . . . 0.0 111.974 179.375 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 45.7 tttm -62.95 -16.14 58.27 Favored 'General case' 0 CA--C 1.544 0.714 0 N-CA-C 115.16 1.541 . . . . 0.0 115.16 -179.489 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 7' ' ' TRP . . . . . . . . . . . . . 17.1 t90 -141.31 9.2 2.06 Favored 'General case' 0 CA--C 1.547 0.852 0 N-CA-C 113.66 0.985 . . . . 0.0 113.66 -160.506 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 8' ' ' MET . . . . . . . . . . . . 0.276 86.7 mtp 67.14 -15.33 0.16 Allowed 'General case' 0 N--CA 1.481 1.087 0 N-CA-C 117.992 2.59 . . . . 0.0 117.992 167.395 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 9' ' ' GLN . . . . . 0.407 ' OE1' ' SG ' ' A' ' 17' ' ' CYS . 0.0 OUTLIER 57.17 -6.69 0.03 OUTLIER 'General case' 0 N--CA 1.486 1.36 1 N-CA-C 122.854 4.39 . . . . 0.0 122.854 132.739 . . . . . . . . 4 4 . 1 . 006 nuclear build core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER 54.5 66.62 1.18 Allowed 'General case' 0 N--CA 1.478 0.927 0 CA-C-N 120.361 1.437 . . . . 0.0 111.596 -175.712 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 51.7 t -73.15 53.65 0.38 Allowed 'General case' 0 CA--C 1.55 0.973 0 O-C-N 119.916 -1.74 . . . . 0.0 114.289 -179.502 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 70.5 m-20 -56.36 165.74 1.01 Allowed 'General case' 0 CA--C 1.539 0.532 0 N-CA-C 115.611 1.708 . . . . 0.0 115.611 167.96 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 16.0 t -60.51 -13.78 15.85 Favored 'General case' 0 CA--C 1.542 0.67 0 C-N-CA 125.513 1.525 . . . . 0.0 114.219 -178.888 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 91.2 mt-10 -109.21 3.69 22.04 Favored 'General case' 0 N--CA 1.476 0.856 0 C-N-CA 125.822 1.649 . . . . 0.0 113.444 179.414 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 2.0 mmt85 -103.57 149.77 24.57 Favored 'General case' 0 N--CA 1.472 0.649 0 C-N-CA 126.571 1.949 . . . . 0.0 112.429 -175.528 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 10.4 pttm -60.14 163.53 4.8 Favored 'General case' 0 N--CA 1.474 0.755 0 CA-C-O 121.673 0.749 . . . . 0.0 110.186 160.541 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 17' ' ' CYS . . . . . 0.407 ' SG ' ' OE1' ' A' ' 9' ' ' GLN . 0.6 OUTLIER -139.69 29.91 2.11 Favored 'General case' 0 CA--C 1.543 0.693 0 N-CA-C 115.693 1.738 . . . . 0.0 115.693 175.125 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 1.8 m 60.23 -78.07 0.02 OUTLIER 'General case' 0 N--CA 1.469 0.516 0 C-N-CA 128.186 2.594 . . . . 0.0 113.65 -175.243 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -104.69 -175.12 2.7 Favored 'General case' 0 CA--C 1.551 1.002 0 C-N-CA 125.359 1.464 . . . . 0.0 111.854 177.571 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -80.55 1.64 81.59 Favored Glycine 0 CA--C 1.538 1.491 0 O-C-N 120.706 -1.246 . . . . 0.0 114.435 169.966 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 38.8 mmt -53.22 157.89 1.76 Allowed 'General case' 0 N--CA 1.466 0.366 0 C-N-CA 126.421 1.888 . . . . 0.0 113.863 178.506 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 30.1 t -45.95 119.85 0.53 Allowed 'Isoleucine or valine' 0 N--CA 1.471 0.617 0 C-N-CA 124.923 1.289 . . . . 0.0 112.026 -178.493 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 23' ' ' CYS . . . . . 0.415 ' HB2' ' SG ' ' A' ' 27' ' ' CYS . 43.9 t -106.09 109.21 21.08 Favored 'General case' 0 CA--C 1.538 0.498 0 C-N-CA 123.243 0.617 . . . . 0.0 111.687 171.596 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 1.8 mpt_? -140.44 108.25 5.67 Favored 'General case' 0 N--CA 1.471 0.621 0 C-N-CA 125.107 1.363 . . . . 0.0 108.845 157.805 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 3.9 mp 61.07 -38.57 0.1 Allowed 'General case' 0 N--CA 1.483 1.192 0 C-N-CA 127.478 2.311 . . . . 0.0 115.595 -161.688 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 26' ' ' TRP . . . . . . . . . . . . . 2.4 p-90 -115.68 -161.2 0.78 Allowed 'General case' 0 N--CA 1.471 0.619 0 C-N-CA 126.218 1.807 . . . . 0.0 113.752 -176.294 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 27' ' ' CYS . . . . . 0.415 ' SG ' ' HB2' ' A' ' 23' ' ' CYS . 1.4 m -135.53 134.93 39.97 Favored 'General case' 0 C--N 1.328 -0.363 0 O-C-N 118.798 -2.439 . . . . 0.0 107.863 141.965 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 67.2 mmtt -148.01 148.32 30.59 Favored 'General case' 0 N--CA 1.472 0.647 0 C-N-CA 124.026 0.931 . . . . 0.0 112.366 -174.43 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 35.3 mttt -76.24 104.58 6.83 Favored 'General case' 0 N--CA 1.467 0.387 0 N-CA-C 113.397 0.888 . . . . 0.0 113.397 -160.437 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 31.1 tttt -148.96 108.86 4.05 Favored 'General case' 0 N--CA 1.468 0.475 0 C-N-CA 126.529 1.932 . . . . 0.0 108.302 167.206 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 6.3 tp . . . . . 0 N--CA 1.474 0.773 0 C-N-CA 124.489 1.116 . . . . 0.0 112.067 179.612 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 86.5 m-85 . . . . . 0 CA--C 1.539 0.531 0 CA-C-O 118.339 -0.839 . . . . 0.0 110.563 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 0.9 OUTLIER -146.98 -51.87 0.21 Allowed 'General case' 0 CA--C 1.539 0.522 0 CA-C-N 120.927 1.694 . . . . 0.0 114.29 175.103 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 1.7 pm0 -66.81 -29.82 69.86 Favored 'General case' 0 CA--C 1.536 0.424 0 C-N-CA 125.832 1.653 . . . . 0.0 112.296 167.954 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 75.4 tttt -103.57 9.51 37.42 Favored 'General case' 0 CA--C 1.542 0.641 0 C-N-CA 126.856 2.062 . . . . 0.0 112.519 177.675 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 7' ' ' TRP . . . . . . . . . . . . . 1.1 t-105 -141.91 3.74 1.63 Allowed 'General case' 0 N--CA 1.479 0.979 0 C-N-CA 124.486 1.114 . . . . 0.0 112.425 -170.861 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 56.8 mtt 57.18 57.65 4.39 Favored 'General case' 0 CA--C 1.542 0.671 0 C-N-CA 126.773 2.029 . . . . 0.0 115.401 169.922 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -65.72 38.03 0.02 OUTLIER 'General case' 0 CA--C 1.56 1.358 0 N-CA-C 117.989 2.589 . . . . 0.0 117.989 -174.395 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 14.3 m 46.23 57.92 4.91 Favored 'General case' 0 N--CA 1.492 1.654 0 CA-C-N 121.107 1.776 . . . . 0.0 113.056 171.806 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 1.5 t -77.9 87.06 4.1 Favored 'General case' 0 CA--C 1.54 0.565 0 C-N-CA 123.968 0.907 . . . . 0.0 111.891 -166.568 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 12.8 m-20 -107.13 -169.86 1.61 Allowed 'General case' 0 CA--C 1.547 0.84 0 C-N-CA 127.374 2.269 . . . . 0.0 109.779 -178.858 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 45.0 t -50.7 -42.09 56.66 Favored 'General case' 0 N--CA 1.479 1.023 0 N-CA-C 114.608 1.336 . . . . 0.0 114.608 177.915 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 77.8 mm-40 -92.08 -7.26 49.18 Favored 'General case' 0 N--CA 1.469 0.508 0 N-CA-C 114.708 1.373 . . . . 0.0 114.708 -175.067 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 4.9 mmt85 -86.56 149.33 25.02 Favored 'General case' 0 N--CA 1.473 0.713 0 CA-C-N 119.805 1.184 . . . . 0.0 112.679 -177.132 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 58.3 mttp -98.27 106.02 18.24 Favored 'General case' 0 N--CA 1.468 0.441 0 C-N-CA 126.201 1.801 . . . . 0.0 109.602 -175.535 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 8.0 t -70.65 91.43 0.81 Allowed 'General case' 0 CA--C 1.538 0.517 0 C-N-CA 123.186 0.594 . . . . 0.0 111.092 -168.978 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 5.7 t 11.58 -69.12 0.0 OUTLIER 'General case' 0 CA--C 1.537 0.45 0 C-N-CA 131.392 3.877 . . . . 0.0 117.719 166.624 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 88.2 mt-10 -131.89 32.17 4.11 Favored 'General case' 0 N--CA 1.469 0.507 0 C-N-CA 126.362 1.865 . . . . 0.0 111.623 -171.662 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 65.55 26.12 71.77 Favored Glycine 0 CA--C 1.534 1.228 0 O-C-N 121.452 -0.78 . . . . 0.0 114.434 177.161 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 18.6 mmt -87.31 -171.55 3.53 Favored 'General case' 0 CA--C 1.545 0.76 0 C-N-CA 125.176 1.391 . . . . 0.0 111.707 -176.927 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 58.0 t -64.58 131.7 30.34 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.701 0 C-N-CA 124.732 1.213 . . . . 0.0 109.464 172.147 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 33.8 t -111.6 82.0 1.54 Allowed 'General case' 0 CA--C 1.54 0.559 0 C-N-CA 124.592 1.157 . . . . 0.0 111.201 -178.172 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 4.1 mpt_? -135.09 104.17 5.83 Favored 'General case' 0 N--CA 1.476 0.834 0 C-N-CA 125.317 1.447 . . . . 0.0 109.651 175.311 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 5.8 mp 61.77 -27.52 0.06 Allowed 'General case' 0 N--CA 1.479 0.994 0 C-N-CA 127.057 2.143 . . . . 0.0 114.738 -169.669 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 26' ' ' TRP . . . . . . . . . . . . . 0.1 OUTLIER -155.26 171.97 18.95 Favored 'General case' 0 C--N 1.325 -0.48 0 C-N-CA 127.551 2.34 . . . . 0.0 110.441 -177.871 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 16.2 t -107.48 43.86 1.14 Allowed 'General case' 0 CA--C 1.544 0.722 0 C-N-CA 123.988 0.915 . . . . 0.0 111.348 178.807 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 3.0 mmmp? -59.11 139.93 56.37 Favored 'General case' 0 N--CA 1.479 0.977 0 C-N-CA 123.885 0.874 . . . . 0.0 110.972 -175.256 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 59.2 mtpt -60.88 131.44 50.68 Favored 'General case' 0 N--CA 1.475 0.819 0 C-N-CA 123.339 0.656 . . . . 0.0 111.176 -177.547 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -152.82 31.98 0.5 Allowed 'General case' 0 N--CA 1.477 0.881 0 N-CA-C 113.013 0.746 . . . . 0.0 113.013 -165.588 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 44.2 tp . . . . . 0 CA--C 1.534 0.363 0 N-CA-C 113.145 0.794 . . . . 0.0 113.145 -157.746 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 CA--C 1.533 0.297 0 N-CA-C 105.324 -2.102 . . . . 0.0 105.324 . . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -38.37 -49.33 1.42 Allowed 'General case' 0 CA--C 1.548 0.876 0 C-N-CA 128.153 2.581 . . . . 0.0 114.488 169.889 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -66.78 -54.21 25.06 Favored 'General case' 0 CA--C 1.539 0.549 0 C-N-CA 124.643 1.177 . . . . 0.0 111.464 179.634 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 11.3 mttp -72.76 3.22 5.38 Favored 'General case' 0 N--CA 1.474 0.749 0 N-CA-C 115.814 1.783 . . . . 0.0 115.814 -178.54 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 7' ' ' TRP . . . . . . . . . . . . 0.278 32.9 m95 -131.87 13.57 4.82 Favored 'General case' 0 N--CA 1.47 0.529 0 N-CA-C 116.903 2.186 . . . . 0.0 116.903 172.947 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 5.9 mtt 56.69 55.69 6.13 Favored 'General case' 0 N--CA 1.478 0.948 0 N-CA-C 113.914 1.079 . . . . 0.0 113.914 174.452 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 4.1 pt20 -58.62 5.5 0.02 OUTLIER 'General case' 0 CA--C 1.551 1.017 0 N-CA-C 120.239 3.422 . . . . 0.0 120.239 -168.959 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 5.0 m 56.91 71.52 0.57 Allowed 'General case' 0 N--CA 1.479 0.999 0 O-C-N 120.363 -1.461 . . . . 0.0 112.587 -163.141 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 9.0 t -74.3 79.52 1.84 Allowed 'General case' 0 CA--C 1.541 0.633 0 O-C-N 121.15 -0.969 . . . . 0.0 111.297 -176.606 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 81.2 m-20 -70.99 163.81 26.81 Favored 'General case' 0 CA--C 1.534 0.343 0 C-N-CA 125.557 1.543 . . . . 0.0 114.326 174.357 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 8.7 t -61.68 -16.6 50.22 Favored 'General case' 0 N--CA 1.472 0.629 0 O-C-N 121.089 -1.007 . . . . 0.0 112.807 173.763 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 46.2 mt-10 -105.22 21.44 17.13 Favored 'General case' 0 CA--C 1.548 0.901 0 C-N-CA 125.493 1.517 . . . . 0.0 113.467 170.881 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 18.4 tpp85 -118.94 136.95 53.81 Favored 'General case' 0 N--CA 1.481 1.116 0 O-C-N 120.121 -1.612 . . . . 0.0 112.251 -174.901 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 66.1 mmtt -72.5 161.06 31.3 Favored 'General case' 0 N--CA 1.48 1.037 0 C-N-CA 125.436 1.494 . . . . 0.0 111.204 171.581 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 32.8 t -135.9 148.07 48.42 Favored 'General case' 0 CA--C 1.542 0.642 0 CA-C-O 122.559 1.171 . . . . 0.0 112.868 166.042 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 28.6 m -51.93 -34.57 42.42 Favored 'General case' 0 CA--C 1.537 0.461 0 C-N-CA 127.566 2.346 . . . . 0.0 114.286 -178.353 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -123.55 -31.45 3.49 Favored 'General case' 0 CA--C 1.542 0.644 0 C-N-CA 125.412 1.485 . . . . 0.0 112.894 170.623 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 94.06 63.07 1.05 Allowed Glycine 0 CA--C 1.529 0.926 0 O-C-N 120.988 -1.07 . . . . 0.0 112.98 178.686 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 50.2 mmm -115.09 -162.54 0.83 Allowed 'General case' 0 CA--C 1.539 0.526 0 C-N-CA 125.011 1.325 . . . . 0.0 111.134 -170.109 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 5.1 t -58.32 131.2 22.34 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.79 0 O-C-N 120.908 -1.12 . . . . 0.0 111.834 178.344 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 44.6 t -142.62 93.92 2.58 Favored 'General case' 0 CA--C 1.546 0.79 0 C-N-CA 123.962 0.905 . . . . 0.0 112.005 -151.171 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 24' ' ' ARG . . . . . 0.421 ' C ' ' H ' ' A' ' 26' ' ' TRP . 0.9 OUTLIER -161.97 129.26 3.91 Favored 'General case' 0 N--CA 1.493 1.695 0 C-N-CA 128.456 2.702 . . . . 0.0 106.485 164.841 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 5.9 mp 58.64 -17.9 0.02 OUTLIER 'General case' 0 N--CA 1.488 1.441 0 C-N-CA 126.87 2.068 . . . . 0.0 115.527 -175.661 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 26' ' ' TRP . . . . . 0.421 ' H ' ' C ' ' A' ' 24' ' ' ARG . 4.1 p-90 -157.41 166.97 31.6 Favored 'General case' 0 C--N 1.327 -0.41 0 C-N-CA 130.516 3.527 . . . . 0.0 109.899 -177.074 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 49.8 t -115.72 125.29 52.61 Favored 'General case' 0 CA--C 1.533 0.321 0 N-CA-C 107.332 -1.358 . . . . 0.0 107.332 162.575 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 31.4 mmmt -137.9 135.59 36.26 Favored 'General case' 0 N--CA 1.478 0.929 0 C-N-CA 124.272 1.029 . . . . 0.0 111.139 -171.644 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 15.3 mtpp -69.3 134.9 49.7 Favored 'General case' 0 N--CA 1.471 0.59 0 C-N-CA 123.833 0.853 . . . . 0.0 111.65 -179.707 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 5.3 tptm -154.63 43.25 0.5 Allowed 'General case' 0 N--CA 1.473 0.704 0 C-N-CA 124.462 1.105 . . . . 0.0 110.937 -179.368 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 13.7 tp . . . . . 0 CA--C 1.538 0.492 0 C-N-CA 124.629 1.172 . . . . 0.0 111.929 -168.991 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 3' ' ' TYR . . . . . . . . . . . . 0.339 47.3 m-85 . . . . . 0 N--CA 1.462 0.142 0 N-CA-C 114.315 1.228 . . . . 0.0 114.315 . . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 7.4 p -133.59 -73.08 0.49 Allowed 'General case' 0 CA--C 1.54 0.565 0 C-N-CA 124.524 1.129 . . . . 0.0 112.226 -168.751 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 1.2 pm0 -62.2 -50.49 71.6 Favored 'General case' 0 N--CA 1.47 0.533 0 CA-C-N 119.028 0.831 . . . . 0.0 109.893 171.258 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 15.2 mtpp -66.15 -1.21 3.01 Favored 'General case' 0 N--CA 1.473 0.699 0 C-N-CA 125.838 1.655 . . . . 0.0 114.958 177.076 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 7' ' ' TRP . . . . . . . . . . . . . 54.9 t90 -136.37 17.45 3.16 Favored 'General case' 0 CA--C 1.541 0.603 0 C-N-CA 124.601 1.16 . . . . 0.0 113.333 -177.509 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 41.7 mtt 57.31 56.53 5.05 Favored 'General case' 0 CA--C 1.543 0.674 0 N-CA-C 113.791 1.034 . . . . 0.0 113.791 170.078 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 15.9 pt20 -56.86 25.17 0.0 OUTLIER 'General case' 0 CA--C 1.558 1.259 0 N-CA-C 120.4 3.482 . . . . 0.0 120.4 -167.815 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 27.6 m 57.73 57.7 4.09 Favored 'General case' 0 N--CA 1.487 1.394 0 CA-C-N 122.14 2.245 . . . . 0.0 112.742 178.649 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -79.97 70.35 6.53 Favored 'General case' 0 CA--C 1.538 0.505 0 C-N-CA 124.766 1.227 . . . . 0.0 112.956 -174.229 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 15.6 m-20 -87.09 -171.33 3.45 Favored 'General case' 0 CA--C 1.543 0.709 0 C-N-CA 125.33 1.452 . . . . 0.0 114.18 153.405 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 29.8 p -69.01 34.39 0.03 OUTLIER 'General case' 0 N--CA 1.479 0.998 0 N-CA-C 116.637 2.088 . . . . 0.0 116.637 -179.935 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 49.6 mm-40 -140.48 42.74 1.88 Allowed 'General case' 0 C--O 1.238 0.464 0 C-N-CA 126.821 2.048 . . . . 0.0 111.903 176.577 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 15' ' ' ARG . . . . . 0.452 ' HE ' ' HA ' ' A' ' 15' ' ' ARG . 0.4 OUTLIER -136.21 125.18 24.25 Favored 'General case' 0 N--CA 1.474 0.753 0 N-CA-C 117.144 2.276 . . . . 0.0 117.144 -168.606 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 18.6 ptmt -63.68 66.6 0.02 OUTLIER 'General case' 0 CA--C 1.542 0.666 0 C-N-CA 127.148 2.179 . . . . 0.0 112.84 145.862 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 48.7 t -56.87 122.04 11.29 Favored 'General case' 0 C--O 1.237 0.436 0 O-C-N 120.528 -1.357 . . . . 0.0 109.587 175.91 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 14.7 m -67.55 -13.85 62.42 Favored 'General case' 0 CA--C 1.542 0.648 0 N-CA-C 113.535 0.939 . . . . 0.0 113.535 -167.416 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 62.1 mm-40 -138.91 171.59 14.1 Favored 'General case' 0 CA--C 1.545 0.776 0 C-N-CA 125.782 1.633 . . . . 0.0 111.532 179.178 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -86.87 -8.84 75.45 Favored Glycine 0 CA--C 1.534 1.268 0 C-N-CA 125.395 1.474 . . . . 0.0 115.646 -174.733 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 15.3 ptp -58.61 -163.33 0.0 OUTLIER 'General case' 0 CA--C 1.547 0.862 0 C-N-CA 128.976 2.91 . . . . 0.0 113.934 172.441 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 2.7 t -50.48 142.83 2.71 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.869 0 O-C-N 120.989 -1.069 . . . . 0.0 113.131 179.322 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 41.4 t -132.97 79.04 1.82 Allowed 'General case' 0 N--CA 1.466 0.329 0 C-N-CA 124.465 1.106 . . . . 0.0 109.245 164.526 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 3.1 mpt_? -144.41 112.08 6.16 Favored 'General case' 0 N--CA 1.467 0.4 0 C-N-CA 125.881 1.672 . . . . 0.0 108.143 171.861 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 3.9 mp 60.18 -32.46 0.06 Allowed 'General case' 0 CA--C 1.548 0.873 0 C-N-CA 126.658 1.983 . . . . 0.0 114.978 -166.434 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 26' ' ' TRP . . . . . 0.424 ' CZ3' ' HE2' ' A' ' 28' ' ' LYS . 0.1 OUTLIER -153.44 172.11 17.62 Favored 'General case' 0 C--N 1.328 -0.326 0 C-N-CA 126.579 1.952 . . . . 0.0 113.291 -173.072 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 69.7 m -114.17 90.14 3.27 Favored 'General case' 0 CA--C 1.535 0.404 0 C-N-CA 125.234 1.414 . . . . 0.0 110.017 171.176 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 28' ' ' LYS . . . . . 0.424 ' HE2' ' CZ3' ' A' ' 26' ' ' TRP . 0.0 OUTLIER -132.94 160.22 37.7 Favored 'General case' 0 N--CA 1.477 0.9 0 C-N-CA 124.474 1.109 . . . . 0.0 111.418 175.286 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 33.6 mttm -67.24 130.51 43.31 Favored 'General case' 0 N--CA 1.468 0.47 0 C-N-CA 123.664 0.786 . . . . 0.0 111.534 -168.831 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 11.8 tppt? -162.94 96.06 0.89 Allowed 'General case' 0 N--CA 1.469 0.494 0 C-N-CA 125.675 1.59 . . . . 0.0 108.186 162.853 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 57.2 tp . . . . . 0 N--CA 1.47 0.569 0 N-CA-C 113.492 0.923 . . . . 0.0 113.492 -176.143 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 3' ' ' TYR . . . . . . . . . . . . 0.253 38.1 m-85 . . . . . 0 CA--C 1.538 0.483 0 N-CA-C 117.418 2.377 . . . . 0.0 117.418 . . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 36.7 m -54.08 -43.67 70.52 Favored 'General case' 0 CA--C 1.538 0.497 0 N-CA-C 114.232 1.197 . . . . 0.0 114.232 -168.203 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -85.05 5.24 30.34 Favored 'General case' 0 CA--C 1.545 0.753 0 C-N-CA 125.142 1.377 . . . . 0.0 113.145 -173.903 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 4.4 ttmp? -137.26 -0.03 2.27 Favored 'General case' 0 CA--C 1.54 0.581 0 C-N-CA 127.659 2.384 . . . . 0.0 112.642 -166.231 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 7' ' ' TRP . . . . . . . . . . . . . 64.6 t90 -148.39 1.45 0.62 Allowed 'General case' 0 CA--C 1.553 1.092 0 N-CA-C 116.147 1.906 . . . . 0.0 116.147 -179.517 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 69.4 mtm 56.89 74.6 0.4 Allowed 'General case' 0 N--CA 1.477 0.876 0 C-N-CA 125.958 1.703 . . . . 0.0 113.458 176.95 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 10.0 pt20 -61.47 -2.39 0.73 Allowed 'General case' 0 CA--C 1.553 1.093 0 N-CA-C 116.219 1.933 . . . . 0.0 116.219 -174.563 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 33.5 m 59.27 92.39 0.04 OUTLIER 'General case' 0 N--CA 1.477 0.913 0 C-N-CA 125.591 1.556 . . . . 0.0 111.387 -149.97 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -97.95 77.84 2.51 Favored 'General case' 0 CA--C 1.537 0.467 0 C-N-CA 124.515 1.126 . . . . 0.0 111.56 -173.863 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 74.9 m-20 -68.41 173.77 4.64 Favored 'General case' 0 CA--C 1.548 0.902 0 C-N-CA 125.598 1.559 . . . . 0.0 114.332 169.447 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 42.4 t -55.61 -26.4 43.9 Favored 'General case' 0 N--CA 1.481 1.098 0 N-CA-C 114.805 1.409 . . . . 0.0 114.805 178.412 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 27.2 mt-10 -95.64 -10.17 30.12 Favored 'General case' 0 N--CA 1.474 0.766 0 N-CA-C 114.03 1.122 . . . . 0.0 114.03 179.144 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 11.3 mmt85 -82.38 133.02 35.21 Favored 'General case' 0 N--CA 1.471 0.595 0 O-C-N 121.044 -1.035 . . . . 0.0 112.929 -170.494 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -79.72 106.44 11.75 Favored 'General case' 0 N--CA 1.471 0.587 0 C-N-CA 123.188 0.595 . . . . 0.0 109.816 176.258 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 52.8 t -72.3 120.01 17.3 Favored 'General case' 0 CA--C 1.541 0.632 0 N-CA-C 108.446 -0.946 . . . . 0.0 108.446 164.34 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 63.5 m -49.7 -42.26 45.39 Favored 'General case' 0 N--CA 1.473 0.723 0 C-N-CA 125.72 1.608 . . . . 0.0 114.081 -163.124 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 54.9 mt-10 -96.35 15.32 21.55 Favored 'General case' 0 CA--C 1.544 0.721 0 N-CA-C 114.266 1.21 . . . . 0.0 114.266 -178.841 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 75.65 -5.19 39.42 Favored Glycine 0 CA--C 1.536 1.349 0 C-N-CA 126.042 1.782 . . . . 0.0 115.313 177.677 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 15.1 ptp -76.27 178.44 6.47 Favored 'General case' 0 CA--C 1.544 0.734 0 C-N-CA 126.568 1.947 . . . . 0.0 114.288 -175.948 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 19.6 t -53.23 131.76 15.45 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.914 0 C-N-CA 125.901 1.68 . . . . 0.0 113.909 -169.139 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 44.7 t -137.33 90.18 2.49 Favored 'General case' 0 CA--C 1.544 0.728 0 C-N-CA 126.719 2.008 . . . . 0.0 111.049 -165.255 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -145.32 93.25 2.35 Favored 'General case' 0 N--CA 1.477 0.925 0 C-N-CA 124.796 1.239 . . . . 0.0 110.638 175.66 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 18.9 mt 65.61 -46.04 0.38 Allowed 'General case' 0 CA--C 1.542 0.662 0 C-N-CA 127.464 2.306 . . . . 0.0 113.238 -169.307 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 26' ' ' TRP . . . . . . . . . . . . . 24.8 p-90 -96.17 167.38 11.24 Favored 'General case' 0 CA--C 1.534 0.341 0 C-N-CA 125.353 1.461 . . . . 0.0 112.774 164.155 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 2.4 t -127.33 129.67 48.07 Favored 'General case' 0 CA--C 1.542 0.646 0 N-CA-C 104.909 -2.256 . . . . 0.0 104.909 161.814 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 21.6 tptt -143.44 -100.86 0.12 Allowed 'General case' 0 N--CA 1.484 1.267 0 N-CA-C 114.156 1.169 . . . . 0.0 114.156 -156.354 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 7.8 mtpt -171.39 146.15 2.23 Favored 'General case' 0 N--CA 1.479 1.011 0 C-N-CA 126.917 2.087 . . . . 0.0 109.938 165.169 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 4.8 tptm -158.16 40.75 0.27 Allowed 'General case' 0 N--CA 1.481 1.086 0 C-N-CA 124.515 1.126 . . . . 0.0 111.65 173.501 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 6.7 tt . . . . . 0 CA--C 1.54 0.579 0 C-N-CA 126.385 1.874 . . . . 0.0 109.3 -172.816 . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 3' ' ' TYR . . . . . . . . . . . . 0.319 0.1 OUTLIER . . . . . 0 C--O 1.234 0.282 0 N-CA-C 116.965 2.209 . . . . 0.0 116.965 . . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 3.8 m -112.48 -65.57 1.17 Allowed 'General case' 0 CA--C 1.536 0.433 0 C-N-CA 123.787 0.835 . . . . 0.0 111.323 169.828 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -60.0 -39.47 85.91 Favored 'General case' 0 N--CA 1.473 0.682 0 O-C-N 120.901 -1.124 . . . . 0.0 111.618 -179.966 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 7.8 mttp -69.46 -2.87 12.3 Favored 'General case' 0 N--CA 1.471 0.618 0 N-CA-C 114.701 1.371 . . . . 0.0 114.701 178.106 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 7' ' ' TRP . . . . . . . . . . . . . 4.8 t-105 -127.75 19.81 6.63 Favored 'General case' 0 CA--C 1.537 0.474 0 C-N-CA 124.324 1.049 . . . . 0.0 111.41 171.373 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 75.0 mtm 50.48 61.55 3.15 Favored 'General case' 0 CA--C 1.541 0.603 0 C-N-CA 125.234 1.414 . . . . 0.0 112.96 174.92 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -57.13 35.66 0.0 OUTLIER 'General case' 0 CA--C 1.551 1.01 0 C-N-CA 129.616 3.166 . . . . 0.0 119.329 -169.012 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 11.1 m 52.74 60.84 3.51 Favored 'General case' 0 N--CA 1.479 0.992 0 CA-C-N 120.678 1.581 . . . . 0.0 111.658 162.564 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 1.8 t -75.63 55.86 0.87 Allowed 'General case' 0 CA--C 1.541 0.598 0 C-N-CA 125.029 1.331 . . . . 0.0 114.08 -163.523 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 67.3 m-20 -67.79 159.64 29.86 Favored 'General case' 0 CA--C 1.536 0.409 0 C-N-CA 124.781 1.232 . . . . 0.0 113.823 158.33 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 33.3 t -57.1 -35.05 68.95 Favored 'General case' 0 N--CA 1.479 0.988 0 N-CA-C 114.539 1.311 . . . . 0.0 114.539 -171.082 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 13.9 pt-20 -73.38 -15.91 61.35 Favored 'General case' 0 CA--C 1.546 0.822 0 N-CA-C 115.228 1.566 . . . . 0.0 115.228 176.869 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -90.06 136.93 32.75 Favored 'General case' 0 N--CA 1.478 0.937 0 CA-C-N 119.73 1.15 . . . . 0.0 111.734 -171.794 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 37.8 mmtm -54.95 149.41 11.71 Favored 'General case' 0 N--CA 1.478 0.961 0 C-N-CA 125.022 1.329 . . . . 0.0 112.36 168.237 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 53.4 t -121.85 77.92 1.41 Allowed 'General case' 0 N--CA 1.469 0.505 0 C-N-CA 125.147 1.379 . . . . 0.0 109.451 173.154 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 2.4 m -70.03 28.36 0.03 OUTLIER 'General case' 0 CA--C 1.555 1.146 0 N-CA-C 116.361 1.986 . . . . 0.0 116.361 -162.742 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 4.9 mm-40 -132.67 -12.55 3.0 Favored 'General case' 0 CA--C 1.544 0.745 0 C-N-CA 125.663 1.585 . . . . 0.0 113.627 161.253 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 67.72 59.03 6.93 Favored Glycine 0 CA--C 1.535 1.282 0 CA-C-N 120.432 1.469 . . . . 0.0 113.547 -176.024 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 24.2 mmt -130.5 -160.18 1.02 Allowed 'General case' 0 N--CA 1.474 0.726 0 C-N-CA 125.08 1.352 . . . . 0.0 111.665 -164.881 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 13.5 t -46.67 141.62 1.12 Allowed 'Isoleucine or valine' 0 N--CA 1.474 0.749 0 CA-C-O 118.325 -0.845 . . . . 0.0 110.804 157.279 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 19.0 t -139.04 89.82 2.38 Favored 'General case' 0 CA--C 1.536 0.428 0 C-N-CA 125.627 1.571 . . . . 0.0 108.619 173.611 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 24' ' ' ARG . . . . . 0.422 ' C ' ' H ' ' A' ' 26' ' ' TRP . 4.3 mpt_? -144.37 99.58 3.39 Favored 'General case' 0 N--CA 1.476 0.84 0 C-N-CA 125.729 1.612 . . . . 0.0 109.485 178.935 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 25.7 mt 54.89 -20.68 0.01 OUTLIER 'General case' 0 N--CA 1.483 1.195 0 C-N-CA 128.317 2.647 . . . . 0.0 115.559 -159.424 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 26' ' ' TRP . . . . . 0.422 ' H ' ' C ' ' A' ' 24' ' ' ARG . 3.5 p-90 -157.24 172.79 18.0 Favored 'General case' 0 CA--C 1.54 0.56 0 C-N-CA 128.26 2.624 . . . . 0.0 111.974 -177.815 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 71.1 m -117.14 139.94 50.12 Favored 'General case' 0 CA--C 1.531 0.213 0 C-N-CA 125.967 1.707 . . . . 0.0 111.243 169.362 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 75.8 mttt -130.91 -115.94 0.23 Allowed 'General case' 0 N--CA 1.474 0.754 0 C-N-CA 125.952 1.701 . . . . 0.0 110.595 -178.216 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 3.1 ttpt -147.55 137.48 22.89 Favored 'General case' 0 N--CA 1.479 0.976 0 CA-C-N 120.351 1.432 . . . . 0.0 113.017 171.412 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 6.7 ttpt -156.63 -6.98 0.1 Allowed 'General case' 0 N--CA 1.486 1.336 0 C-N-CA 126.135 1.774 . . . . 0.0 115.527 171.057 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 34.1 tp . . . . . 0 N--CA 1.471 0.58 0 O-C-N 119.947 -1.721 . . . . 0.0 108.399 157.341 . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 6.5 p90 . . . . . 0 C--O 1.232 0.143 0 N-CA-C 114.392 1.256 . . . . 0.0 114.392 . . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -161.82 -61.84 0.05 Allowed 'General case' 0 CA--C 1.539 0.528 0 N-CA-C 113.335 0.865 . . . . 0.0 113.335 173.441 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -64.24 -47.47 79.53 Favored 'General case' 0 N--CA 1.468 0.428 0 C-N-CA 124.714 1.206 . . . . 0.0 112.71 179.508 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 17.0 tttp -66.83 -9.8 41.23 Favored 'General case' 0 N--CA 1.469 0.487 0 C-N-CA 125.843 1.657 . . . . 0.0 113.321 -175.209 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 7' ' ' TRP . . . . . . . . . . . . . 0.1 OUTLIER -149.87 52.2 0.92 Allowed 'General case' 0 CA--C 1.55 0.965 0 C-N-CA 126.403 1.881 . . . . 0.0 107.965 -174.202 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 52.3 mtt 39.32 51.27 2.09 Favored 'General case' 0 N--CA 1.48 1.041 0 N-CA-C 117.314 2.339 . . . . 0.0 117.314 159.59 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 2.3 pt20 -58.38 -4.62 0.4 Allowed 'General case' 0 CA--C 1.553 1.064 0 N-CA-C 119.134 3.012 . . . . 0.0 119.134 -170.802 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 46.6 m 66.04 145.72 0.03 OUTLIER 'General case' 0 N--CA 1.482 1.163 0 CA-C-N 120.152 1.342 . . . . 0.0 112.843 -156.578 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 0.7 OUTLIER -156.74 128.58 7.23 Favored 'General case' 0 N--CA 1.468 0.459 0 O-C-N 119.632 -1.918 . . . . 0.0 110.791 -174.697 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 11.3 m-20 -149.14 165.29 32.23 Favored 'General case' 0 CA--C 1.544 0.713 0 C-N-CA 126.131 1.773 . . . . 0.0 107.314 -163.517 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 43.7 t -52.72 -38.12 60.26 Favored 'General case' 0 N--CA 1.482 1.139 0 O-C-N 120.791 -1.193 . . . . 0.0 114.071 178.797 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 70.5 tt0 -64.63 -34.12 77.53 Favored 'General case' 0 N--CA 1.473 0.688 0 N-CA-C 115.26 1.578 . . . . 0.0 115.26 173.832 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -112.55 138.22 49.64 Favored 'General case' 0 N--CA 1.466 0.344 0 C-N-CA 123.482 0.713 . . . . 0.0 112.72 -148.769 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 54.5 pttt -52.4 127.99 24.13 Favored 'General case' 0 N--CA 1.467 0.421 0 C-N-CA 124.979 1.312 . . . . 0.0 111.593 -172.883 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 5.9 t -89.91 117.41 28.71 Favored 'General case' 0 CA--C 1.531 0.246 0 N-CA-C 108.137 -1.06 . . . . 0.0 108.137 169.89 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 5.2 t -38.67 -43.2 0.87 Allowed 'General case' 0 CA--C 1.541 0.603 0 C-N-CA 127.363 2.265 . . . . 0.0 115.464 -179.285 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 55.0 mt-10 -128.89 22.1 5.82 Favored 'General case' 0 CA--C 1.546 0.825 0 C-N-CA 125.399 1.48 . . . . 0.0 111.593 -177.017 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 68.25 12.91 64.06 Favored Glycine 0 CA--C 1.541 1.663 0 N-CA-C 117.023 1.569 . . . . 0.0 117.023 177.954 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 18.3 mmt -76.74 -169.3 1.23 Allowed 'General case' 0 CA--C 1.547 0.865 0 C-N-CA 127.569 2.347 . . . . 0.0 113.914 -173.652 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 15.6 t -49.42 136.86 6.11 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.008 0 C-N-CA 124.641 1.176 . . . . 0.0 108.691 154.856 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 49.0 t -137.67 77.91 1.66 Allowed 'General case' 0 CA--C 1.539 0.547 0 C-N-CA 125.788 1.635 . . . . 0.0 110.397 -168.498 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -148.16 113.05 5.44 Favored 'General case' 0 N--CA 1.479 1.01 0 C-N-CA 126.68 1.992 . . . . 0.0 110.076 -179.169 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 48.5 mt 62.18 -32.14 0.09 Allowed 'General case' 0 N--CA 1.483 1.187 0 C-N-CA 127.441 2.296 . . . . 0.0 115.104 -162.526 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 26' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -153.16 159.21 42.66 Favored 'General case' 0 CA--C 1.532 0.254 0 C-N-CA 124.948 1.299 . . . . 0.0 110.395 173.12 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 9.0 t -87.77 123.41 32.54 Favored 'General case' 0 CA--C 1.531 0.234 0 N-CA-C 106.678 -1.601 . . . . 0.0 106.678 153.962 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . 0.289 2.2 tptm -122.06 -119.26 0.29 Allowed 'General case' 0 N--CA 1.478 0.95 0 CA-C-N 119.676 1.126 . . . . 0.0 111.607 -174.824 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 18.8 ttmm -139.0 129.02 25.15 Favored 'General case' 0 N--CA 1.471 0.616 0 CA-C-N 120.635 1.561 . . . . 0.0 111.637 166.346 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 3.7 tmtm? -118.3 -29.51 5.5 Favored 'General case' 0 N--CA 1.475 0.787 0 C-N-CA 126.646 1.978 . . . . 0.0 111.596 171.599 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 2.7 mm? . . . . . 0 CA--C 1.552 1.026 0 C-N-CA 126.484 1.914 . . . . 0.0 111.933 174.685 . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 33.3 p90 . . . . . 0 C--O 1.237 0.4 0 N-CA-C 115.133 1.531 . . . . 0.0 115.133 . . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -154.12 -58.33 0.12 Allowed 'General case' 0 CA--C 1.545 0.784 0 N-CA-C 114.286 1.217 . . . . 0.0 114.286 -175.984 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -65.48 -44.47 87.03 Favored 'General case' 0 N--CA 1.477 0.879 0 O-C-N 121.01 -1.056 . . . . 0.0 110.246 171.964 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 31.6 tttm -73.71 4.07 5.59 Favored 'General case' 0 CA--C 1.542 0.664 0 C-N-CA 127.552 2.341 . . . . 0.0 114.031 -179.267 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 7' ' ' TRP . . . . . . . . . . . . . 23.5 t-105 -153.59 24.51 0.52 Allowed 'General case' 0 CA--C 1.549 0.929 0 C-N-CA 124.272 1.029 . . . . 0.0 113.028 -173.282 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 83.9 mtp 51.17 66.87 1.05 Allowed 'General case' 0 N--CA 1.476 0.874 0 N-CA-C 114.651 1.352 . . . . 0.0 114.651 172.939 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 5.7 pt20 -65.3 33.6 0.02 OUTLIER 'General case' 0 CA--C 1.555 1.163 0 N-CA-C 119.231 3.049 . . . . 0.0 119.231 -171.724 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 6.1 m 44.95 57.89 4.36 Favored 'General case' 0 N--CA 1.484 1.252 0 CA-C-N 120.902 1.683 . . . . 0.0 112.579 178.223 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 1.3 t -77.78 78.97 4.28 Favored 'General case' 0 CA--C 1.535 0.402 0 C-N-CA 123.769 0.828 . . . . 0.0 111.958 -161.509 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 74.3 m-20 -72.59 166.74 22.14 Favored 'General case' 0 CA--C 1.541 0.606 0 C-N-CA 126.028 1.731 . . . . 0.0 113.57 170.441 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 3.3 t -46.39 -40.66 12.45 Favored 'General case' 0 N--CA 1.48 1.054 0 N-CA-C 115.651 1.722 . . . . 0.0 115.651 -176.531 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 35.4 mp0 -101.04 9.66 41.92 Favored 'General case' 0 N--CA 1.472 0.634 0 C-N-CA 125.015 1.326 . . . . 0.0 113.515 -177.05 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -82.98 125.61 31.6 Favored 'General case' 0 N--CA 1.467 0.413 0 O-C-N 120.44 -1.412 . . . . 0.0 110.796 -169.564 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 10.8 ptmt -58.45 99.35 0.04 OUTLIER 'General case' 0 N--CA 1.479 0.994 0 C-N-CA 124.926 1.29 . . . . 0.0 113.25 178.211 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 43.6 t -66.05 140.91 58.3 Favored 'General case' 0 CA--C 1.54 0.588 0 C-N-CA 122.677 0.391 . . . . 0.0 111.756 -179.325 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 0.7 OUTLIER -60.94 -28.99 69.37 Favored 'General case' 0 CA--C 1.541 0.612 0 C-N-CA 126.946 2.098 . . . . 0.0 114.896 -177.599 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 97.0 mt-10 -136.65 -23.35 1.22 Allowed 'General case' 0 N--CA 1.472 0.636 0 C-N-CA 124.733 1.213 . . . . 0.0 113.722 -168.957 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 83.52 73.69 1.24 Allowed Glycine 0 CA--C 1.531 1.062 0 C-N-CA 124.06 0.838 . . . . 0.0 111.286 -162.892 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 16.0 mmt -141.82 178.19 7.66 Favored 'General case' 0 CA--C 1.54 0.579 0 C-N-CA 126.585 1.954 . . . . 0.0 110.862 -172.407 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 73.2 t -60.85 125.37 16.9 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.831 0 C-N-CA 124.186 0.994 . . . . 0.0 109.351 175.709 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 43.1 t -122.71 92.98 3.83 Favored 'General case' 0 CA--C 1.542 0.66 0 C-N-CA 126.157 1.783 . . . . 0.0 111.34 -168.026 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 4.7 mpt_? -151.45 106.85 3.33 Favored 'General case' 0 N--CA 1.482 1.157 0 C-N-CA 126.879 2.072 . . . . 0.0 109.601 179.547 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 6.5 mp 58.84 -33.42 0.05 OUTLIER 'General case' 0 N--CA 1.485 1.3 0 C-N-CA 128.451 2.7 . . . . 0.0 114.3 -161.023 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 26' ' ' TRP . . . . . . . . . . . . . 1.3 p-90 -141.62 157.65 44.82 Favored 'General case' 0 C--N 1.324 -0.525 0 C-N-CA 127.494 2.317 . . . . 0.0 110.878 178.58 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 0.6 OUTLIER -98.85 117.96 34.52 Favored 'General case' 0 N--CA 1.463 0.21 0 CA-C-O 117.638 -1.172 . . . . 0.0 107.965 166.865 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 68.8 mmtt -134.08 141.47 47.18 Favored 'General case' 0 N--CA 1.478 0.954 0 N-CA-C 116.605 2.076 . . . . 0.0 116.605 -167.801 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 25.0 tttp -77.84 79.8 4.31 Favored 'General case' 0 CA--C 1.536 0.42 0 C-N-CA 128.378 2.671 . . . . 0.0 113.003 -161.177 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -89.78 -5.97 56.43 Favored 'General case' 0 N--CA 1.479 0.98 0 N-CA-C 114.686 1.365 . . . . 0.0 114.686 172.529 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 9.0 tt . . . . . 0 N--CA 1.467 0.418 0 CA-C-N 119.227 0.921 . . . . 0.0 111.439 -177.028 . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 3' ' ' TYR . . . . . . . . . . . . 0.377 49.7 m-85 . . . . . 0 CA--C 1.543 0.71 0 N-CA-C 118.022 2.601 . . . . 0.0 118.022 . . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -36.39 -48.82 0.68 Allowed 'General case' 0 CA--C 1.546 0.788 0 C-N-CA 128.524 2.73 . . . . 0.0 116.507 -169.277 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -68.8 -39.19 80.23 Favored 'General case' 0 CA--C 1.546 0.789 0 C-N-CA 124.735 1.214 . . . . 0.0 113.24 -178.866 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 23.0 mttm -73.69 -36.52 65.3 Favored 'General case' 0 N--CA 1.477 0.899 0 C-N-CA 125.601 1.56 . . . . 0.0 114.019 173.689 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 7' ' ' TRP . . . . . . . . . . . . . 0.9 OUTLIER -83.59 -4.24 58.39 Favored 'General case' 0 N--CA 1.475 0.822 0 N-CA-C 116.27 1.952 . . . . 0.0 116.27 179.614 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 23.3 mtm 60.28 70.0 0.66 Allowed 'General case' 0 CA--C 1.538 0.5 0 C-N-CA 125.533 1.533 . . . . 0.0 111.774 -176.989 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -60.45 29.81 0.01 OUTLIER 'General case' 0 CA--C 1.554 1.107 0 C-N-CA 128.875 2.87 . . . . 0.0 118.205 -178.017 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 6.2 m 46.58 56.24 6.71 Favored 'General case' 0 N--CA 1.477 0.919 0 C-N-CA 127.025 2.13 . . . . 0.0 113.839 167.824 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -79.46 143.4 35.0 Favored 'General case' 0 CA--C 1.538 0.508 0 CA-C-N 115.465 -0.789 . . . . 0.0 111.812 -170.618 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 40.0 t0 -170.63 -179.63 2.98 Favored 'General case' 0 CA--C 1.544 0.725 0 N-CA-C 107.594 -1.262 . . . . 0.0 107.594 -139.335 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 30.2 t -59.35 -49.12 79.06 Favored 'General case' 0 N--CA 1.476 0.839 0 O-C-N 120.231 -1.543 . . . . 0.0 113.492 175.308 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 25.6 tt0 -95.12 16.26 16.89 Favored 'General case' 0 CA--C 1.544 0.737 0 N-CA-C 113.565 0.95 . . . . 0.0 113.565 -170.271 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -98.83 127.6 44.8 Favored 'General case' 0 N--CA 1.472 0.641 0 N-CA-C 115.16 1.541 . . . . 0.0 115.16 -169.994 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -60.52 156.76 15.57 Favored 'General case' 0 N--CA 1.469 0.508 0 CA-C-N 114.604 -1.18 . . . . 0.0 110.133 155.064 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 40.3 t -135.14 137.28 42.61 Favored 'General case' 0 CA--C 1.541 0.629 0 C-N-CA 124.073 0.949 . . . . 0.0 112.778 -167.735 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 1.9 t -57.94 -35.79 71.6 Favored 'General case' 0 CA--C 1.546 0.826 0 C-N-CA 126.405 1.882 . . . . 0.0 115.687 -166.631 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 29.2 mt-10 -147.67 27.67 0.98 Allowed 'General case' 0 CA--C 1.554 1.133 0 C-N-CA 124.581 1.152 . . . . 0.0 113.774 -174.988 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 69.98 8.23 60.86 Favored Glycine 0 CA--C 1.542 1.746 0 O-C-N 120.279 -1.513 . . . . 0.0 116.53 177.817 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -73.23 -178.02 2.75 Favored 'General case' 0 CA--C 1.546 0.805 0 C-N-CA 125.989 1.716 . . . . 0.0 112.677 176.521 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 91.2 t -64.17 142.52 16.76 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.758 0 C-N-CA 124.526 1.13 . . . . 0.0 110.593 171.731 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 36.8 t -122.81 80.58 1.77 Allowed 'General case' 0 CA--C 1.536 0.428 0 C-N-CA 126.581 1.952 . . . . 0.0 110.483 -166.645 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -140.09 108.49 5.84 Favored 'General case' 0 N--CA 1.479 0.982 0 C-N-CA 125.324 1.45 . . . . 0.0 110.92 -179.372 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 5.8 mp 62.25 -32.58 0.1 Allowed 'General case' 0 N--CA 1.477 0.877 0 C-N-CA 128.588 2.755 . . . . 0.0 114.133 -168.306 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 26' ' ' TRP . . . . . . . . . . . . . 0.4 OUTLIER -151.07 -179.51 7.37 Favored 'General case' 0 CA--C 1.539 0.521 0 C-N-CA 127.833 2.453 . . . . 0.0 111.289 171.622 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 0.9 OUTLIER -124.64 107.32 10.88 Favored 'General case' 0 CA--C 1.534 0.361 0 C-N-CA 125.42 1.488 . . . . 0.0 107.556 171.526 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 3.7 mptp? -116.33 141.68 47.84 Favored 'General case' 0 N--CA 1.48 1.052 0 C-N-CA 125.637 1.575 . . . . 0.0 110.77 174.812 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 1.1 ttmp? -58.33 115.16 2.78 Favored 'General case' 0 N--CA 1.479 0.997 0 N-CA-C 108.531 -0.914 . . . . 0.0 108.531 -178.237 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 10.0 tmtt? -150.34 95.97 2.33 Favored 'General case' 0 N--CA 1.467 0.407 0 C-N-CA 124.74 1.216 . . . . 0.0 108.723 -169.63 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 CA--C 1.535 0.393 0 C-N-CA 127.456 2.302 . . . . 0.0 108.775 -164.099 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 75.5 m-85 . . . . . 0 N--CA 1.47 0.544 0 N-CA-C 113.298 0.851 . . . . 0.0 113.298 . . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 0.6 OUTLIER -132.9 -66.22 0.68 Allowed 'General case' 0 CA--C 1.541 0.604 0 N-CA-C 114.394 1.257 . . . . 0.0 114.394 174.492 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -60.77 -33.77 73.46 Favored 'General case' 0 N--CA 1.475 0.802 0 O-C-N 120.851 -1.155 . . . . 0.0 113.362 -177.788 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 77.7 tttt -71.54 -20.66 62.0 Favored 'General case' 0 CA--C 1.542 0.64 0 N-CA-C 113.76 1.022 . . . . 0.0 113.76 173.612 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 7' ' ' TRP . . . . . . . . . . . . . 1.0 OUTLIER -147.17 63.01 1.17 Allowed 'General case' 0 CA--C 1.552 1.053 0 CA-C-N 119.949 1.25 . . . . 0.0 111.894 -152.65 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 8' ' ' MET . . . . . . . . . . . . 0.259 29.4 mtt 54.44 35.93 24.37 Favored 'General case' 0 N--CA 1.483 1.208 0 N-CA-C 117.962 2.579 . . . . 0.0 117.962 161.941 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -67.15 17.68 0.03 OUTLIER 'General case' 0 N--CA 1.482 1.126 0 N-CA-C 120.236 3.421 . . . . 0.0 120.236 -168.113 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 9.1 m 50.74 60.82 3.59 Favored 'General case' 0 N--CA 1.484 1.252 0 CA-C-N 120.802 1.637 . . . . 0.0 113.905 162.032 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 6.0 t -83.39 62.06 6.52 Favored 'General case' 0 CA--C 1.542 0.648 0 N-CA-C 113.152 0.797 . . . . 0.0 113.152 -166.928 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 24.8 m-20 -62.88 167.18 4.89 Favored 'General case' 0 CA--C 1.538 0.501 0 N-CA-C 113.633 0.975 . . . . 0.0 113.633 168.546 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 2.1 p -53.51 -26.33 20.32 Favored 'General case' 0 N--CA 1.479 0.988 0 N-CA-C 116.565 2.061 . . . . 0.0 116.565 -179.227 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 6.3 pt-20 -97.9 3.42 49.72 Favored 'General case' 0 CA--C 1.545 0.767 0 N-CA-C 114.922 1.453 . . . . 0.0 114.922 177.156 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -95.33 155.51 16.71 Favored 'General case' 0 N--CA 1.476 0.833 0 C-N-CA 124.769 1.228 . . . . 0.0 111.289 175.624 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 35.5 mttp -67.34 165.62 16.05 Favored 'General case' 0 N--CA 1.473 0.693 0 C-N-CA 123.538 0.735 . . . . 0.0 110.444 161.672 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 43.0 t -120.28 122.15 40.22 Favored 'General case' 0 C--N 1.328 -0.36 0 C-N-CA 125.043 1.337 . . . . 0.0 109.592 163.333 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 0.7 OUTLIER -48.69 -43.59 37.19 Favored 'General case' 0 CA--C 1.542 0.642 0 C-N-CA 125.364 1.465 . . . . 0.0 114.877 -164.797 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 9.4 mm-40 -118.36 9.39 12.43 Favored 'General case' 0 CA--C 1.549 0.925 0 C-N-CA 125.837 1.655 . . . . 0.0 111.276 179.328 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 79.05 -8.03 47.88 Favored Glycine 0 CA--C 1.537 1.416 0 N-CA-C 117.332 1.693 . . . . 0.0 117.332 -173.287 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 16.0 ptp -115.1 137.7 51.71 Favored 'General case' 0 N--CA 1.477 0.912 0 CA-C-N 120.515 2.157 . . . . 0.0 116.423 -169.712 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . 0.381 1.3 t 65.72 41.61 0.14 Allowed 'Isoleucine or valine' 0 N--CA 1.479 0.999 0 N-CA-C 115.953 1.834 . . . . 0.0 115.953 176.895 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 42.2 t -64.22 80.29 0.03 OUTLIER 'General case' 0 CA--C 1.546 0.81 0 C-N-CA 126.058 1.743 . . . . 0.0 112.996 176.204 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 24' ' ' ARG . . . . . 0.41 ' C ' ' H ' ' A' ' 26' ' ' TRP . 2.8 mpt_? -153.82 103.12 2.57 Favored 'General case' 0 N--CA 1.481 1.091 0 C-N-CA 127.136 2.174 . . . . 0.0 110.493 179.201 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 42.1 mt 60.88 -21.5 0.03 OUTLIER 'General case' 0 N--CA 1.481 1.111 0 C-N-CA 128.852 2.861 . . . . 0.0 115.45 -170.562 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 26' ' ' TRP . . . . . 0.41 ' H ' ' C ' ' A' ' 24' ' ' ARG . 0.0 OUTLIER -149.67 -164.32 1.99 Allowed 'General case' 0 CA--C 1.546 0.821 0 C-N-CA 129.351 3.06 . . . . 0.0 108.074 174.602 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 61.4 m -123.43 161.25 25.17 Favored 'General case' 0 C--O 1.237 0.444 0 C-N-CA 124.219 1.008 . . . . 0.0 108.993 152.399 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 28' ' ' LYS . . . . . 0.458 ' HA ' ' HE3' ' A' ' 28' ' ' LYS . 0.3 OUTLIER -140.06 -109.11 0.16 Allowed 'General case' 0 N--CA 1.474 0.775 0 CA-C-O 118.504 -0.76 . . . . 0.0 112.852 -165.22 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 20.8 tttt -161.24 139.26 9.41 Favored 'General case' 0 N--CA 1.469 0.51 0 C-N-CA 124.362 1.065 . . . . 0.0 109.241 177.456 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -159.25 -27.36 0.07 Allowed 'General case' 0 N--CA 1.48 1.029 0 N-CA-C 113.522 0.934 . . . . 0.0 113.522 178.008 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 4.7 tt . . . . . 0 CA--C 1.537 0.47 0 CA-C-N 119.233 0.924 . . . . 0.0 109.598 163.199 . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 4.9 m-30 . . . . . 0 CA--C 1.533 0.291 0 N-CA-C 116.428 2.01 . . . . 0.0 116.428 . . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -118.13 -64.55 1.28 Allowed 'General case' 0 CA--C 1.534 0.341 0 C-N-CA 123.601 0.761 . . . . 0.0 111.583 171.056 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -63.65 -52.71 59.54 Favored 'General case' 0 CA--C 1.538 0.494 0 O-C-N 120.926 -1.109 . . . . 0.0 111.831 177.634 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -78.82 19.39 0.52 Allowed 'General case' 0 CA--C 1.547 0.845 0 N-CA-C 113.864 1.061 . . . . 0.0 113.864 178.835 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 7' ' ' TRP . . . . . . . . . . . . . 67.4 t-105 -138.99 16.44 2.64 Favored 'General case' 0 CA--C 1.546 0.823 0 C-N-CA 125.498 1.519 . . . . 0.0 111.99 171.949 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 74.0 mtm 56.86 60.13 3.18 Favored 'General case' 0 N--CA 1.47 0.527 0 C-N-CA 125.945 1.698 . . . . 0.0 114.684 172.321 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 1.5 pt20 -58.36 46.76 0.0 OUTLIER 'General case' 0 CA--C 1.553 1.083 0 C-N-CA 129.874 3.269 . . . . 0.0 118.406 178.794 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 17.1 m 46.05 53.16 9.47 Favored 'General case' 0 N--CA 1.481 1.119 0 CA-C-N 119.822 1.192 . . . . 0.0 113.586 156.62 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 7.0 t -71.5 132.8 45.24 Favored 'General case' 0 CA--C 1.539 0.539 0 O-C-N 120.96 -1.087 . . . . 0.0 113.05 -154.039 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 12' ' ' ASP . . . . . 0.403 ' H ' ' HB2' ' A' ' 15' ' ' ARG . 77.5 m-20 -129.02 162.27 28.01 Favored 'General case' 0 CA--C 1.537 0.471 0 C-N-CA 127.742 2.417 . . . . 0.0 112.071 -179.161 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 38.2 t -59.45 -19.84 50.58 Favored 'General case' 0 N--CA 1.475 0.824 0 N-CA-C 113.884 1.068 . . . . 0.0 113.884 175.437 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 12.7 pt-20 -95.23 -9.73 32.4 Favored 'General case' 0 N--CA 1.473 0.691 0 C-N-CA 126.052 1.741 . . . . 0.0 114.478 174.248 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 15' ' ' ARG . . . . . 0.403 ' HB2' ' H ' ' A' ' 12' ' ' ASP . 0.0 OUTLIER -83.49 132.79 34.93 Favored 'General case' 0 N--CA 1.468 0.439 0 O-C-N 121.003 -1.061 . . . . 0.0 109.87 -164.647 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 64.2 mttm -63.7 84.22 0.03 OUTLIER 'General case' 0 N--CA 1.475 0.819 0 C-N-CA 123.801 0.84 . . . . 0.0 111.684 170.509 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 44.3 t -62.09 129.6 41.58 Favored 'General case' 0 CA--C 1.54 0.583 0 C-N-CA 124.404 1.082 . . . . 0.0 109.801 -179.759 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 39.6 t -104.24 4.15 33.52 Favored 'General case' 0 CA--C 1.545 0.777 0 C-N-CA 124.351 1.06 . . . . 0.0 113.463 -152.372 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 46.7 mt-10 -123.14 -6.02 8.36 Favored 'General case' 0 N--CA 1.478 0.932 0 C-N-CA 125.061 1.344 . . . . 0.0 113.424 145.61 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 87.69 25.25 33.14 Favored Glycine 0 CA--C 1.534 1.224 0 N-CA-C 116.24 1.256 . . . . 0.0 116.24 170.315 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 20.0 ptp -152.84 152.04 31.11 Favored 'General case' 0 CA--C 1.537 0.474 0 CA-C-N 119.245 1.522 . . . . 0.0 114.687 -177.876 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . 0.342 2.0 t 52.47 58.91 0.3 Allowed 'Isoleucine or valine' 0 N--CA 1.479 0.983 0 C-N-CA 126.948 2.099 . . . . 0.0 115.491 171.147 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 51.1 t -73.52 92.94 1.95 Allowed 'General case' 0 CA--C 1.541 0.633 0 C-N-CA 125.135 1.374 . . . . 0.0 111.603 -176.873 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 24' ' ' ARG . . . . . 0.411 ' C ' ' H ' ' A' ' 26' ' ' TRP . 2.3 mpt_? -144.14 98.53 3.23 Favored 'General case' 0 N--CA 1.482 1.143 0 C-N-CA 125.543 1.537 . . . . 0.0 110.798 176.029 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 22.8 mt 61.43 -25.73 0.04 OUTLIER 'General case' 0 N--CA 1.482 1.126 0 C-N-CA 127.087 2.155 . . . . 0.0 114.55 -166.814 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 26' ' ' TRP . . . . . 0.411 ' H ' ' C ' ' A' ' 24' ' ' ARG . 7.8 p-90 -153.7 -171.78 4.01 Favored 'General case' 0 CA--C 1.54 0.594 0 C-N-CA 128.088 2.555 . . . . 0.0 111.298 177.812 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 74.3 m -134.31 152.83 52.03 Favored 'General case' 0 CA--C 1.537 0.461 0 C-N-CA 126.6 1.96 . . . . 0.0 108.078 167.501 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 25.1 mmtp -154.84 171.7 19.2 Favored 'General case' 0 N--CA 1.483 1.204 0 C-N-CA 127.194 2.198 . . . . 0.0 111.535 179.051 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 64.2 mttm -59.73 118.68 6.43 Favored 'General case' 0 N--CA 1.476 0.832 0 C-N-CA 124.231 1.012 . . . . 0.0 111.444 169.972 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 1.5 mmtm -147.23 10.43 0.99 Allowed 'General case' 0 N--CA 1.473 0.723 0 C-N-CA 124.642 1.177 . . . . 0.0 113.816 -173.839 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 9.9 tt . . . . . 0 CA--C 1.533 0.301 0 C-N-CA 124.591 1.156 . . . . 0.0 110.96 170.935 . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 3' ' ' TYR . . . . . . . . . . . . 0.353 7.3 p90 . . . . . 0 N--CA 1.465 0.292 0 N-CA-C 116.705 2.113 . . . . 0.0 116.705 . . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 8.6 p -132.59 -12.43 3.04 Favored 'General case' 0 CA--C 1.543 0.709 0 N-CA-C 114.271 1.212 . . . . 0.0 114.271 171.382 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 2.8 tt0 -91.59 -44.83 8.82 Favored 'General case' 0 N--CA 1.472 0.649 0 O-C-N 120.913 -1.117 . . . . 0.0 110.29 168.013 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 1.7 ttpm? -87.76 21.95 2.45 Favored 'General case' 0 CA--C 1.545 0.771 0 C-N-CA 125.941 1.696 . . . . 0.0 113.405 -178.063 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 7' ' ' TRP . . . . . . . . . . . . . 0.8 OUTLIER -160.26 157.98 29.08 Favored 'General case' 0 CA--C 1.541 0.596 0 C-N-CA 125.713 1.605 . . . . 0.0 108.833 -175.209 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 27.3 mtt -83.69 77.9 9.78 Favored 'General case' 0 N--CA 1.476 0.855 0 O-C-N 121.081 -1.012 . . . . 0.0 112.58 -173.269 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -64.65 11.86 0.05 OUTLIER 'General case' 0 CA--C 1.548 0.879 0 N-CA-C 118.377 2.732 . . . . 0.0 118.377 -168.95 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 2.6 m 47.5 87.01 0.02 OUTLIER 'General case' 0 N--CA 1.476 0.854 0 C-N-CA 126.835 2.054 . . . . 0.0 114.461 177.381 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 80.1 m -72.95 46.65 0.17 Allowed 'General case' 0 CA--C 1.546 0.805 0 C-N-CA 125.957 1.703 . . . . 0.0 115.279 -173.861 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 74.2 m-20 -58.1 145.82 35.34 Favored 'General case' 0 CA--C 1.533 0.29 0 N-CA-C 114.328 1.233 . . . . 0.0 114.328 171.904 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 22.3 t -61.38 -8.41 3.96 Favored 'General case' 0 N--CA 1.477 0.892 0 N-CA-C 115.496 1.665 . . . . 0.0 115.496 -173.756 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 93.3 mt-10 -94.88 1.98 55.37 Favored 'General case' 0 N--CA 1.474 0.738 0 C-N-CA 125.405 1.482 . . . . 0.0 114.274 171.807 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -113.59 152.61 30.08 Favored 'General case' 0 N--CA 1.468 0.456 0 CA-C-O 122.738 1.256 . . . . 0.0 112.945 -169.524 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 18.3 mttm -68.62 147.93 51.2 Favored 'General case' 0 N--CA 1.468 0.45 0 C-N-CA 125.753 1.621 . . . . 0.0 112.12 161.911 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 10.1 t -79.18 137.72 37.56 Favored 'General case' 0 CA--C 1.533 0.315 0 N-CA-C 109.453 -0.573 . . . . 0.0 109.453 150.898 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 4.9 t -50.25 -44.86 53.75 Favored 'General case' 0 CA--C 1.537 0.472 0 C-N-CA 125.717 1.607 . . . . 0.0 114.665 -177.651 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 8.5 mm-40 -122.2 11.91 10.2 Favored 'General case' 0 N--CA 1.481 1.113 0 C-N-CA 124.721 1.208 . . . . 0.0 113.041 -179.347 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 72.07 14.47 76.31 Favored Glycine 0 CA--C 1.542 1.74 0 O-C-N 119.875 -1.766 . . . . 0.0 115.676 -174.237 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 11.5 mmt -67.21 178.43 1.49 Allowed 'General case' 0 CA--C 1.547 0.861 0 C-N-CA 126.244 1.817 . . . . 0.0 111.317 170.603 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 92.6 t -67.67 131.67 32.96 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.959 0 C-N-CA 124.402 1.081 . . . . 0.0 110.222 170.434 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 2.0 t -128.22 111.84 13.85 Favored 'General case' 0 CA--C 1.542 0.644 0 C-N-CA 124.316 1.046 . . . . 0.0 112.37 -166.773 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 24' ' ' ARG . . . . . 0.401 ' C ' ' H ' ' A' ' 26' ' ' TRP . 0.2 OUTLIER -148.49 107.06 3.78 Favored 'General case' 0 N--CA 1.481 1.076 0 C-N-CA 125.519 1.528 . . . . 0.0 110.495 169.079 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 57.7 mt 58.05 -26.41 0.02 OUTLIER 'General case' 0 N--CA 1.485 1.293 0 C-N-CA 127.254 2.222 . . . . 0.0 115.655 -165.112 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 26' ' ' TRP . . . . . 0.401 ' H ' ' C ' ' A' ' 24' ' ' ARG . 7.3 p-90 -148.05 158.99 44.36 Favored 'General case' 0 CA--C 1.536 0.433 0 C-N-CA 128.851 2.86 . . . . 0.0 110.844 179.098 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -128.04 64.06 1.39 Allowed 'General case' 0 CA--C 1.54 0.578 0 CA-C-O 121.744 0.783 . . . . 0.0 111.739 -177.33 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 35.5 tttp -55.52 -81.95 0.01 OUTLIER 'General case' 0 N--CA 1.477 0.89 0 C-N-CA 127.352 2.261 . . . . 0.0 113.153 -164.494 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 4.6 mtpp -176.21 134.53 0.25 Allowed 'General case' 0 N--CA 1.474 0.772 0 C-N-CA 128.327 2.651 . . . . 0.0 108.45 168.89 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 14.4 ttmm -164.58 39.62 0.08 Allowed 'General case' 0 N--CA 1.482 1.155 0 C-N-CA 124.14 0.976 . . . . 0.0 112.754 -178.574 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 27.7 tp . . . . . 0 N--CA 1.472 0.665 0 O-C-N 120.259 -1.526 . . . . 0.0 113.568 -166.102 . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 3' ' ' TYR . . . . . . . . . . . . 0.347 1.3 p90 . . . . . 0 N--CA 1.465 0.298 0 N-CA-C 117.253 2.316 . . . . 0.0 117.253 . . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -155.62 -55.41 0.09 Allowed 'General case' 0 CA--C 1.54 0.589 0 N-CA-C 112.894 0.702 . . . . 0.0 112.894 168.834 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -61.41 -38.98 89.06 Favored 'General case' 0 N--CA 1.473 0.68 0 O-C-N 120.835 -1.166 . . . . 0.0 112.85 -175.682 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 51.1 tttt -75.85 -21.16 57.52 Favored 'General case' 0 N--CA 1.473 0.718 0 C-N-CA 124.782 1.233 . . . . 0.0 113.7 172.591 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 7' ' ' TRP . . . . . . . . . . . . . 56.9 t-105 -128.81 67.78 1.4 Allowed 'General case' 0 CA--C 1.534 0.352 0 C-N-CA 126.455 1.902 . . . . 0.0 111.216 -162.414 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 51.5 mtt 46.7 40.56 8.86 Favored 'General case' 0 CA--C 1.549 0.937 0 N-CA-C 116.176 1.917 . . . . 0.0 116.176 150.197 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -78.23 22.29 0.32 Allowed 'General case' 0 N--CA 1.472 0.641 0 N-CA-C 118.357 2.725 . . . . 0.0 118.357 -152.743 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 3.0 m 53.13 44.84 29.78 Favored 'General case' 0 N--CA 1.477 0.906 0 CA-C-N 120.162 1.347 . . . . 0.0 112.904 -179.651 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 1.8 t -70.9 120.64 16.78 Favored 'General case' 0 CA--C 1.538 0.501 0 O-C-N 121.139 -0.976 . . . . 0.0 109.322 -179.389 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 49.7 t0 -159.96 166.65 29.66 Favored 'General case' 0 CA--C 1.543 0.701 0 N-CA-C 106.786 -1.561 . . . . 0.0 106.786 -151.855 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 28.8 t -34.25 -53.61 0.5 Allowed 'General case' 0 N--CA 1.48 1.069 0 N-CA-C 117.003 2.223 . . . . 0.0 117.003 -164.725 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 29.8 tt0 -96.17 -23.46 16.73 Favored 'General case' 0 CA--C 1.542 0.639 0 N-CA-C 114.639 1.348 . . . . 0.0 114.639 179.151 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -87.07 124.58 33.39 Favored 'General case' 0 N--CA 1.465 0.318 0 O-C-N 121.44 -0.787 . . . . 0.0 111.879 -157.966 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 29.0 tptp -51.12 130.46 26.17 Favored 'General case' 0 N--CA 1.468 0.459 0 C-N-CA 126.483 1.913 . . . . 0.0 113.441 -172.033 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 41.0 t -73.68 136.61 43.8 Favored 'General case' 0 CA--C 1.535 0.377 0 N-CA-C 110.276 -0.268 . . . . 0.0 110.276 163.184 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 1.7 t -52.7 -48.39 66.61 Favored 'General case' 0 CA--C 1.542 0.646 0 C-N-CA 125.499 1.52 . . . . 0.0 114.195 -173.168 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -132.76 -1.46 3.39 Favored 'General case' 0 CA--C 1.552 1.054 0 N-CA-C 114.278 1.214 . . . . 0.0 114.278 -177.005 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 117.52 -9.11 14.98 Favored Glycine 0 CA--C 1.545 1.962 0 C-N-CA 125.831 1.682 . . . . 0.0 117.154 174.546 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -74.08 -163.42 0.18 Allowed 'General case' 0 CA--C 1.551 0.981 0 C-N-CA 126.491 1.916 . . . . 0.0 115.27 -176.278 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 39.9 t -72.77 106.84 3.08 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.847 0 C-N-CA 125.472 1.509 . . . . 0.0 113.187 -162.504 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 42.5 t -96.22 90.94 5.66 Favored 'General case' 0 CA--C 1.539 0.526 0 C-N-CA 125.739 1.616 . . . . 0.0 111.725 -167.446 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 1.5 mpt_? -145.02 78.5 1.56 Allowed 'General case' 0 N--CA 1.483 1.184 0 C-N-CA 124.796 1.238 . . . . 0.0 112.75 -178.679 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 20.5 mt 68.74 -7.79 0.7 Allowed 'General case' 0 N--CA 1.482 1.141 0 C-N-CA 126.579 1.952 . . . . 0.0 114.657 -168.993 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 26' ' ' TRP . . . . . 0.544 ' CG ' ' HE2' ' A' ' 28' ' ' LYS . 2.2 p-90 -156.49 178.32 10.45 Favored 'General case' 0 CA--C 1.539 0.527 0 C-N-CA 129.248 3.019 . . . . 0.0 110.612 176.985 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -139.2 69.29 1.37 Allowed 'General case' 0 CA--C 1.546 0.798 0 CA-C-N 120.042 1.292 . . . . 0.0 113.651 175.603 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 28' ' ' LYS . . . . . 0.544 ' HE2' ' CG ' ' A' ' 26' ' ' TRP . 1.5 mptp? -71.98 145.04 48.64 Favored 'General case' 0 N--CA 1.478 0.928 0 C-N-CA 125.897 1.679 . . . . 0.0 113.245 -178.446 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 36.9 tttm -68.92 119.76 13.75 Favored 'General case' 0 N--CA 1.478 0.928 0 C-N-CA 123.692 0.797 . . . . 0.0 110.87 177.645 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 60.1 tttm -160.14 80.95 0.69 Allowed 'General case' 0 N--CA 1.471 0.596 0 C-N-CA 125.059 1.344 . . . . 0.0 110.465 -173.85 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 7.5 tt . . . . . 0 N--CA 1.47 0.529 0 C-N-CA 127.186 2.194 . . . . 0.0 108.027 -179.109 . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 3' ' ' TYR . . . . . . . . . . . . 0.277 74.6 m-85 . . . . . 0 C--O 1.236 0.377 0 N-CA-C 114.144 1.164 . . . . 0.0 114.144 . . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 1.1 p -141.63 -28.6 0.64 Allowed 'General case' 0 CA--C 1.545 0.757 0 N-CA-C 115.075 1.509 . . . . 0.0 115.075 -161.99 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -90.07 -45.89 8.85 Favored 'General case' 0 N--CA 1.47 0.56 0 CA-C-N 119.77 1.168 . . . . 0.0 110.668 166.529 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 8.3 ttmt -64.97 -13.08 56.6 Favored 'General case' 0 N--CA 1.475 0.792 0 O-C-N 121.05 -1.031 . . . . 0.0 112.635 171.147 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 7' ' ' TRP . . . . . . . . . . . . . 8.1 m95 -135.6 31.31 3.11 Favored 'General case' 0 CA--C 1.542 0.657 0 C-N-CA 127.796 2.438 . . . . 0.0 114.528 -173.086 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 75.8 mtm 45.23 61.67 2.46 Favored 'General case' 0 CA--C 1.549 0.907 0 N-CA-C 116.924 2.194 . . . . 0.0 116.924 159.145 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 2.8 pt20 -66.5 25.25 0.02 OUTLIER 'General case' 0 CA--C 1.552 1.053 0 N-CA-C 119.577 3.177 . . . . 0.0 119.577 -170.804 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 6.8 m 57.96 55.11 5.52 Favored 'General case' 0 N--CA 1.486 1.357 0 CA-C-N 121.607 2.003 . . . . 0.0 113.533 170.787 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 1.3 t -84.44 80.92 9.06 Favored 'General case' 0 CA--C 1.545 0.786 0 N-CA-C 113.875 1.065 . . . . 0.0 113.875 -160.578 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 43.6 m-20 -71.24 179.21 2.96 Favored 'General case' 0 CA--C 1.555 1.141 0 C-N-CA 126.475 1.91 . . . . 0.0 115.463 166.983 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 44.5 t -54.7 -42.64 71.7 Favored 'General case' 0 N--CA 1.484 1.271 0 O-C-N 120.468 -1.395 . . . . 0.0 113.381 173.43 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 37.1 tt0 -67.84 -27.64 66.88 Favored 'General case' 0 N--CA 1.473 0.682 0 C-N-CA 124.779 1.232 . . . . 0.0 114.016 176.548 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -80.08 127.25 32.08 Favored 'General case' 0 N--CA 1.468 0.441 0 O-C-N 120.809 -1.182 . . . . 0.0 111.07 -165.447 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 16.1 mmtp -61.7 125.2 22.99 Favored 'General case' 0 N--CA 1.471 0.608 0 O-C-N 121.523 -0.735 . . . . 0.0 109.815 169.587 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 49.3 t -63.49 145.26 56.01 Favored 'General case' 0 CA--C 1.54 0.566 0 CA-C-N 118.8 0.727 . . . . 0.0 110.81 168.546 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 28.1 t -71.01 -36.99 72.64 Favored 'General case' 0 CA--C 1.542 0.673 0 C-N-CA 124.852 1.261 . . . . 0.0 113.843 -175.15 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 11.6 mt-10 -140.52 13.0 2.34 Favored 'General case' 0 N--CA 1.476 0.868 0 N-CA-C 114.471 1.286 . . . . 0.0 114.471 -164.026 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 72.3 56.08 6.49 Favored Glycine 0 CA--C 1.536 1.344 0 O-C-N 120.549 -1.344 . . . . 0.0 112.576 -175.638 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 25.4 mmt -139.07 -175.79 4.28 Favored 'General case' 0 N--CA 1.471 0.578 0 C-N-CA 126.086 1.754 . . . . 0.0 111.175 -165.54 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 47.9 t -67.81 107.4 1.13 Allowed 'Isoleucine or valine' 0 N--CA 1.478 0.929 0 CA-C-N 118.91 0.777 . . . . 0.0 111.235 179.081 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 42.3 t -86.16 93.45 9.03 Favored 'General case' 0 CA--C 1.536 0.437 0 C-N-CA 124.639 1.176 . . . . 0.0 110.087 174.64 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 24' ' ' ARG . . . . . 0.422 ' C ' ' H ' ' A' ' 26' ' ' TRP . 3.9 mpt_? -152.66 106.44 3.08 Favored 'General case' 0 N--CA 1.477 0.875 0 C-N-CA 126.186 1.794 . . . . 0.0 110.787 173.329 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 11.8 mt 61.22 -18.53 0.03 OUTLIER 'General case' 0 N--CA 1.484 1.274 0 N-CA-C 116.281 1.956 . . . . 0.0 116.281 -171.38 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 26' ' ' TRP . . . . . 0.422 ' H ' ' C ' ' A' ' 24' ' ' ARG . 1.6 p-90 -158.23 -177.62 6.68 Favored 'General case' 0 C--N 1.324 -0.517 0 C-N-CA 130.181 3.392 . . . . 0.0 109.321 -179.134 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 1.6 m -111.51 145.5 38.96 Favored 'General case' 0 CA--C 1.532 0.256 0 N-CA-C 108.408 -0.96 . . . . 0.0 108.408 146.589 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 67.9 mmtt -139.21 131.75 28.72 Favored 'General case' 0 N--CA 1.474 0.732 0 C-N-CA 125.518 1.527 . . . . 0.0 108.841 -179.853 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 80.1 mttt -51.93 126.45 18.27 Favored 'General case' 0 N--CA 1.477 0.918 0 CA-C-N 118.408 0.549 . . . . 0.0 112.126 -175.951 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 66.3 tttt -154.75 64.12 0.66 Allowed 'General case' 0 N--CA 1.469 0.512 0 C-N-CA 127.084 2.154 . . . . 0.0 108.946 177.675 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 1.2 mt . . . . . 0 C--N 1.326 -0.446 0 C-N-CA 125.643 1.577 . . . . 0.0 109.453 174.8 . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 3' ' ' TYR . . . . . . . . . . . . 0.41 53.0 m-85 . . . . . 0 CA--C 1.539 0.553 0 N-CA-C 119.124 3.009 . . . . 0.0 119.124 . . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 4.4 p -135.85 -9.34 2.09 Favored 'General case' 0 CA--C 1.543 0.691 0 N-CA-C 116.217 1.932 . . . . 0.0 116.217 -166.871 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -108.47 -46.92 3.6 Favored 'General case' 0 N--CA 1.469 0.497 0 C-N-CA 125.653 1.581 . . . . 0.0 110.693 178.429 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 4.9 ttmm -85.59 0.73 51.69 Favored 'General case' 0 CA--C 1.536 0.42 0 C-N-CA 124.979 1.312 . . . . 0.0 113.015 173.576 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 7' ' ' TRP . . . . . . . . . . . . . 52.1 t-105 -152.31 145.22 24.43 Favored 'General case' 0 CA--C 1.537 0.468 0 C-N-CA 125.999 1.72 . . . . 0.0 108.688 -175.746 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 27.3 mtt -83.61 94.75 8.16 Favored 'General case' 0 N--CA 1.471 0.617 0 N-CA-C 113.493 0.923 . . . . 0.0 113.493 -160.464 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 2.3 pt20 -71.77 -5.19 32.31 Favored 'General case' 0 CA--C 1.545 0.75 0 N-CA-C 117.704 2.483 . . . . 0.0 117.704 -172.977 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 8.7 m 55.15 79.22 0.16 Allowed 'General case' 0 N--CA 1.482 1.145 0 CA-C-N 121.547 1.976 . . . . 0.0 112.379 -167.687 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 3.4 t -81.29 67.73 7.33 Favored 'General case' 0 CA--C 1.547 0.831 0 C-N-CA 124.034 0.934 . . . . 0.0 113.447 -173.502 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -55.13 151.0 9.84 Favored 'General case' 0 CA--C 1.539 0.526 0 C-N-CA 123.605 0.762 . . . . 0.0 112.063 159.366 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 60.0 p -64.11 -4.26 3.4 Favored 'General case' 0 N--CA 1.482 1.167 0 N-CA-C 116.13 1.9 . . . . 0.0 116.13 179.188 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 12.5 pt-20 -91.86 -9.82 41.93 Favored 'General case' 0 CA--C 1.544 0.739 0 C-N-CA 124.995 1.318 . . . . 0.0 114.194 169.731 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 14.5 ttt180 -94.9 142.23 27.71 Favored 'General case' 0 N--CA 1.472 0.665 0 CA-C-N 119.533 1.06 . . . . 0.0 112.83 -173.125 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 10.3 ptpt -48.71 97.91 0.01 OUTLIER 'General case' 0 N--CA 1.475 0.783 0 C-N-CA 126.686 1.995 . . . . 0.0 113.22 162.96 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 37.4 t -66.56 120.86 14.13 Favored 'General case' 0 CA--C 1.534 0.35 0 O-C-N 120.93 -1.106 . . . . 0.0 109.557 176.081 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 6.0 t -50.07 -48.96 52.81 Favored 'General case' 0 CA--C 1.538 0.491 0 N-CA-C 115.793 1.775 . . . . 0.0 115.793 -157.183 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 27.8 mm-40 -116.66 16.89 15.39 Favored 'General case' 0 CA--C 1.546 0.821 0 C-N-CA 125.887 1.675 . . . . 0.0 111.276 175.391 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 73.48 12.49 80.21 Favored Glycine 0 CA--C 1.534 1.241 0 N-CA-C 116.286 1.274 . . . . 0.0 116.286 -179.828 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 20.7 ptp -124.61 119.3 28.63 Favored 'General case' 0 CA--C 1.538 0.516 0 CA-C-N 119.144 1.472 . . . . 0.0 114.796 -171.069 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . 0.314 8.1 t 53.99 65.2 0.18 Allowed 'Isoleucine or valine' 0 N--CA 1.479 1.014 0 C-N-CA 127.344 2.258 . . . . 0.0 114.238 168.896 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 42.0 t -65.85 85.01 0.08 Allowed 'General case' 0 CA--C 1.538 0.487 0 C-N-CA 127.584 2.354 . . . . 0.0 111.305 175.092 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 1.5 mpt_? -135.61 87.25 2.3 Favored 'General case' 0 N--CA 1.476 0.873 0 C-N-CA 126.436 1.894 . . . . 0.0 110.212 175.939 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 23.7 mt 61.26 -18.21 0.04 OUTLIER 'General case' 0 CA--C 1.546 0.817 0 C-N-CA 127.985 2.514 . . . . 0.0 115.198 -166.017 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 26' ' ' TRP . . . . . . . . . . . . . 5.1 p-90 -156.4 -174.62 5.03 Favored 'General case' 0 CA--C 1.54 0.593 0 C-N-CA 127.645 2.378 . . . . 0.0 111.016 173.343 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 94.9 m -133.44 68.58 1.49 Allowed 'General case' 0 CA--C 1.546 0.806 0 C-N-CA 124.925 1.29 . . . . 0.0 110.84 174.174 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 13.0 tmtt? -63.39 -56.53 15.53 Favored 'General case' 0 N--CA 1.482 1.166 0 C-N-CA 126.189 1.796 . . . . 0.0 114.631 -165.97 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 9.5 mtpt 171.87 136.42 0.03 OUTLIER 'General case' 0 N--CA 1.476 0.845 0 C-N-CA 129.074 2.95 . . . . 0.0 108.036 171.092 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -161.9 34.28 0.12 Allowed 'General case' 0 N--CA 1.481 1.09 0 C-N-CA 124.674 1.19 . . . . 0.0 112.343 172.528 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 48.3 tp . . . . . 0 N--CA 1.466 0.334 0 O-C-N 120.88 -1.137 . . . . 0.0 111.552 175.728 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.47 0.956 0 CA-C-O 118.479 -1.178 . . . . 0.0 110.777 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 40.2 Cg_endo -69.02 -7.88 22.07 Favored 'Trans proline' 0 CA--C 1.535 0.541 1 C-N-CA 125.426 4.084 . . . . 0.0 116.02 -176.745 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 3' ' ' TYR . . . . . . . . . . . . 0.328 2.5 p90 -143.92 100.84 3.64 Favored 'General case' 0 N--CA 1.465 0.286 0 N-CA-C 115.352 1.612 . . . . 0.0 115.352 179.845 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 2.7 p -154.17 -71.79 0.13 Allowed 'General case' 0 CA--C 1.537 0.474 0 C-N-CA 123.368 0.667 . . . . 0.0 112.489 -171.325 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -61.52 -60.47 3.66 Favored 'General case' 0 N--CA 1.472 0.658 0 CA-C-N 118.801 0.728 . . . . 0.0 111.099 179.945 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 21.1 ttpp -78.87 36.21 0.27 Allowed 'General case' 0 N--CA 1.479 0.998 0 O-C-N 120.979 -1.076 . . . . 0.0 113.579 170.019 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 7' ' ' TRP . . . . . . . . . . . . . 11.9 t90 -144.62 10.51 1.41 Allowed 'General case' 0 CA--C 1.547 0.859 0 C-N-CA 125.445 1.498 . . . . 0.0 111.248 165.526 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 8' ' ' MET . . . . . . . . . . . . 0.253 38.0 mtm 59.29 57.52 3.37 Favored 'General case' 0 CA--C 1.539 0.52 0 C-N-CA 125.783 1.633 . . . . 0.0 114.19 171.641 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 4.9 pt20 -59.46 45.68 0.0 OUTLIER 'General case' 0 CA--C 1.555 1.146 0 C-N-CA 129.722 3.209 . . . . 0.0 119.262 -175.746 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 4.2 m 44.77 58.88 3.67 Favored 'General case' 0 N--CA 1.487 1.395 0 N-CA-C 115.174 1.546 . . . . 0.0 115.174 152.858 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 7.1 t -82.11 140.27 33.92 Favored 'General case' 0 CA--C 1.543 0.704 0 N-CA-C 115.125 1.528 . . . . 0.0 115.125 -158.363 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 62.3 m-20 -138.63 168.72 19.17 Favored 'General case' 0 CA--C 1.55 0.975 0 C-N-CA 129.93 3.292 . . . . 0.0 107.796 -175.577 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 44.0 t -69.92 13.0 0.16 Allowed 'General case' 0 N--CA 1.491 1.605 0 O-C-N 120.107 -1.621 . . . . 0.0 114.427 174.752 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 14.7 pt-20 -131.28 1.28 4.17 Favored 'General case' 0 CA--C 1.539 0.546 0 C-N-CA 127.57 2.348 . . . . 0.0 111.955 -179.142 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -93.25 133.9 35.99 Favored 'General case' 0 C--N 1.344 0.368 0 CA-C-O 122.389 1.09 . . . . 0.0 110.812 -171.565 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 12.2 mptt -75.44 63.91 1.52 Allowed 'General case' 0 CA--C 1.542 0.635 0 C-N-CA 127.887 2.475 . . . . 0.0 111.233 -178.279 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 42.5 t -61.67 107.26 0.79 Allowed 'General case' 0 CA--C 1.534 0.343 0 C-N-CA 126.608 1.963 . . . . 0.0 110.05 -172.073 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 59.0 m -66.89 -15.2 63.49 Favored 'General case' 0 CA--C 1.539 0.541 0 N-CA-C 114.352 1.242 . . . . 0.0 114.352 -161.506 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 70.9 mm-40 -130.03 4.1 4.87 Favored 'General case' 0 CA--C 1.544 0.722 0 N-CA-C 114.115 1.154 . . . . 0.0 114.115 177.371 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 64.76 13.44 56.29 Favored Glycine 0 CA--C 1.539 1.546 0 N-CA-C 116.533 1.373 . . . . 0.0 116.533 178.538 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 14.3 ptp -109.6 124.68 51.56 Favored 'General case' 0 N--CA 1.469 0.496 0 C-N-CA 125.956 1.702 . . . . 0.0 112.561 -170.01 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 2.9 t 49.65 70.69 0.11 Allowed 'Isoleucine or valine' 0 N--CA 1.471 0.621 0 C-N-CA 125.895 1.678 . . . . 0.0 114.71 173.832 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 35.2 t -72.93 58.11 0.46 Allowed 'General case' 0 CA--C 1.548 0.899 0 C-N-CA 124.241 1.016 . . . . 0.0 111.998 172.772 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 5.7 mpt_? -125.15 109.74 13.25 Favored 'General case' 0 N--CA 1.47 0.547 0 C-N-CA 126.446 1.899 . . . . 0.0 109.281 174.247 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 4.7 mp 57.81 -19.32 0.02 OUTLIER 'General case' 0 N--CA 1.478 0.949 0 C-N-CA 127.911 2.484 . . . . 0.0 116.724 -172.224 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 26' ' ' TRP . . . . . . . . . . . . . 0.1 OUTLIER -159.82 -159.81 0.76 Allowed 'General case' 0 CA--C 1.544 0.727 0 C-N-CA 128.846 2.858 . . . . 0.0 110.359 -177.86 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 96.5 m -131.51 123.98 29.16 Favored 'General case' 0 N--CA 1.469 0.522 0 C-N-CA 124.362 1.065 . . . . 0.0 109.098 161.116 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 8.0 mmmm -151.67 155.87 39.23 Favored 'General case' 0 N--CA 1.48 1.063 0 C-N-CA 127.551 2.34 . . . . 0.0 109.277 -170.123 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 25.2 ttpt -79.42 135.75 36.77 Favored 'General case' 0 N--CA 1.479 1.018 0 O-C-N 120.174 -1.578 . . . . 0.0 112.827 -176.892 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 16.7 ttmm -146.78 96.32 2.73 Favored 'General case' 0 N--CA 1.48 1.068 0 C-N-CA 126.719 2.007 . . . . 0.0 108.507 165.057 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 5.8 tt -154.41 142.88 20.64 Favored 'General case' 0 N--CA 1.472 0.659 0 C-N-CA 124.465 1.106 . . . . 0.0 112.933 -167.455 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 2.8 pp . . . . . 0 C--O 1.206 -1.192 0 CA-C-O 122.223 1.011 . . . . 0.0 109.07 167.481 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.469 0.859 0 N-CA-C 111.052 -0.819 . . . . 0.0 111.052 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 94.7 Cg_endo -72.89 136.66 25.55 Favored 'Trans proline' 0 N--CA 1.46 -0.482 0 C-N-CA 123.451 2.767 . . . . 0.0 112.326 -174.121 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 47.3 m-85 -64.47 135.77 56.41 Favored 'General case' 0 CA--C 1.537 0.444 0 N-CA-C 116.406 2.002 . . . . 0.0 116.406 176.041 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 1.2 p -153.78 -22.01 0.14 Allowed 'General case' 0 CA--C 1.546 0.802 0 N-CA-C 116.17 1.915 . . . . 0.0 116.17 -175.267 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -93.6 -34.68 13.22 Favored 'General case' 0 CA--C 1.537 0.468 0 C-N-CA 125.3 1.44 . . . . 0.0 110.379 164.674 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 43.6 tttm -82.8 -3.31 56.51 Favored 'General case' 0 CA--C 1.546 0.794 0 C-N-CA 124.754 1.222 . . . . 0.0 113.671 175.057 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 7' ' ' TRP . . . . . . . . . . . . . 41.8 t-105 -155.57 149.12 25.05 Favored 'General case' 0 N--CA 1.474 0.746 0 C-N-CA 126.209 1.804 . . . . 0.0 110.197 -163.724 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 33.4 mtp -71.97 88.14 1.05 Allowed 'General case' 0 N--CA 1.474 0.774 0 N-CA-C 113.587 0.958 . . . . 0.0 113.587 -178.515 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 7.7 pt20 -70.77 -4.57 24.58 Favored 'General case' 0 N--CA 1.474 0.753 0 N-CA-C 115.558 1.688 . . . . 0.0 115.558 179.735 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 2.9 m 50.46 66.88 1.03 Allowed 'General case' 0 N--CA 1.477 0.879 0 C-N-CA 125.253 1.421 . . . . 0.0 111.406 -166.1 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 2.0 t -69.75 81.6 0.44 Allowed 'General case' 0 CA--C 1.541 0.612 0 C-N-CA 124.96 1.304 . . . . 0.0 111.502 -178.959 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 14.2 m-20 -70.28 145.56 51.2 Favored 'General case' 0 CA--C 1.536 0.441 0 C-N-CA 125.629 1.572 . . . . 0.0 113.878 157.02 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 21.2 t -72.93 19.17 0.09 Allowed 'General case' 0 N--CA 1.482 1.141 0 N-CA-C 115.857 1.799 . . . . 0.0 115.857 -172.118 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 15.9 pt-20 -105.34 -6.58 19.49 Favored 'General case' 0 N--CA 1.475 0.781 0 C-N-CA 125.986 1.714 . . . . 0.0 112.633 164.564 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 8.3 ttt180 -95.74 152.12 18.76 Favored 'General case' 0 N--CA 1.466 0.343 0 C-N-CA 125.09 1.356 . . . . 0.0 112.863 -165.835 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 4.8 ptpp? -64.23 93.01 0.09 Allowed 'General case' 0 CA--C 1.538 0.485 0 C-N-CA 125.194 1.397 . . . . 0.0 110.879 158.519 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 10.5 t -56.93 135.16 56.04 Favored 'General case' 0 CA--C 1.532 0.262 0 C-N-CA 124.007 0.923 . . . . 0.0 109.634 163.64 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 0.9 OUTLIER -50.52 -49.29 56.09 Favored 'General case' 0 CA--C 1.54 0.567 0 N-CA-C 115.78 1.77 . . . . 0.0 115.78 -164.882 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 15.1 mm-40 -107.48 -10.6 15.68 Favored 'General case' 0 N--CA 1.479 0.977 0 C-N-CA 123.61 0.764 . . . . 0.0 112.803 177.061 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 95.04 20.29 28.56 Favored Glycine 0 CA--C 1.535 1.341 0 C-N-CA 125.213 1.387 . . . . 0.0 116.041 -174.932 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -76.75 179.87 5.8 Favored 'General case' 0 CA--C 1.547 0.855 0 CA-C-N 119.005 1.403 . . . . 0.0 113.01 168.214 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -65.93 114.78 3.36 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.76 0 CA-C-O 122.351 1.072 . . . . 0.0 109.275 -179.094 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 41.8 t -76.21 117.88 18.36 Favored 'General case' 0 CA--C 1.544 0.729 0 C-N-CA 127.314 2.245 . . . . 0.0 111.832 -175.572 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 2.6 mpt_? -147.15 82.64 1.55 Allowed 'General case' 0 N--CA 1.489 1.478 0 C-N-CA 125.03 1.332 . . . . 0.0 112.063 174.792 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 78.8 mt 59.71 -14.11 0.03 OUTLIER 'General case' 0 N--CA 1.484 1.264 0 C-N-CA 126.723 2.009 . . . . 0.0 115.76 -172.297 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 26' ' ' TRP . . . . . . . . . . . . . 1.8 p-90 -151.31 175.9 11.77 Favored 'General case' 0 C--N 1.322 -0.619 0 C-N-CA 127.959 2.504 . . . . 0.0 110.226 170.875 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 29.5 m -120.98 42.42 3.05 Favored 'General case' 0 CA--C 1.541 0.599 0 C-N-CA 124.217 1.007 . . . . 0.0 110.308 160.817 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 62.2 tttm -44.1 -57.99 3.09 Favored 'General case' 0 N--CA 1.473 0.705 0 C-N-CA 129.967 3.307 . . . . 0.0 113.322 -168.526 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 4.6 ttmm -166.77 149.96 6.76 Favored 'General case' 0 N--CA 1.474 0.74 0 C-N-CA 125.063 1.345 . . . . 0.0 109.861 139.078 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 2.4 tmtp? -158.31 69.99 0.53 Allowed 'General case' 0 N--CA 1.479 1.007 0 C-N-CA 124.6 1.16 . . . . 0.0 110.504 166.951 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 3.3 tm? -153.43 120.45 5.74 Favored 'General case' 0 N--CA 1.466 0.358 0 C-N-CA 124.334 1.053 . . . . 0.0 109.198 171.05 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.486 HD22 ' OXT' ' A' ' 32' ' ' LEU . 0.0 OUTLIER . . . . . 0 C--O 1.211 -0.922 0 CA-C-O 121.645 0.736 . . . . 0.0 112.066 -172.934 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.472 1.074 0 CA-C-O 118.418 -1.212 . . . . 0.0 110.293 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 59.5 Cg_endo -65.64 -19.63 59.95 Favored 'Trans proline' 0 CA--C 1.54 0.793 0 C-N-CA 124.122 3.215 . . . . 0.0 114.503 -176.308 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 96.9 m-85 -129.27 176.45 7.92 Favored 'General case' 0 CA--C 1.537 0.46 0 C-N-CA 126.011 1.724 . . . . 0.0 110.402 174.875 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . 0.257 0.7 OUTLIER -124.3 -64.06 1.15 Allowed 'General case' 0 CA--C 1.539 0.524 0 N-CA-C 113.132 0.79 . . . . 0.0 113.132 175.001 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -59.56 -54.03 51.25 Favored 'General case' 0 N--CA 1.47 0.553 0 C-N-CA 123.765 0.826 . . . . 0.0 111.433 175.267 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 29.2 tttm -72.23 7.94 1.53 Allowed 'General case' 0 N--CA 1.472 0.649 0 C-N-CA 125.359 1.464 . . . . 0.0 113.931 178.061 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 7' ' ' TRP . . . . . . . . . . . . . 60.9 t-105 -126.13 -4.21 6.85 Favored 'General case' 0 N--CA 1.469 0.517 0 C-N-CA 125.658 1.583 . . . . 0.0 113.313 -171.655 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 59.3 mtm 57.25 56.59 5.04 Favored 'General case' 0 N--CA 1.473 0.685 0 O-C-N 121.507 -0.746 . . . . 0.0 112.462 -174.123 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 6.3 pt20 -58.63 33.85 0.01 OUTLIER 'General case' 0 CA--C 1.553 1.062 0 C-N-CA 129.459 3.104 . . . . 0.0 118.291 -177.393 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER 52.21 54.39 10.84 Favored 'General case' 0 N--CA 1.475 0.814 0 C-N-CA 125.176 1.39 . . . . 0.0 111.947 170.957 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -75.82 68.48 2.37 Favored 'General case' 0 CA--C 1.543 0.698 0 C-N-CA 126.642 1.977 . . . . 0.0 113.089 -160.903 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 21.5 m-20 -65.02 176.96 1.08 Allowed 'General case' 0 CA--C 1.544 0.723 0 C-N-CA 128.724 2.809 . . . . 0.0 117.285 173.86 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 37.1 t -60.09 -29.11 68.36 Favored 'General case' 0 N--CA 1.478 0.942 0 N-CA-C 114.51 1.3 . . . . 0.0 114.51 -177.901 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 6.9 tp10 -78.82 -26.33 44.22 Favored 'General case' 0 CA--C 1.542 0.642 0 CA-C-N 120.407 1.458 . . . . 0.0 112.536 173.519 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -85.56 107.98 17.74 Favored 'General case' 0 N--CA 1.463 0.207 0 CA-C-O 121.617 0.722 . . . . 0.0 112.003 -136.12 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 18.0 ptmt -40.43 100.87 0.02 OUTLIER 'General case' 0 N--CA 1.471 0.612 0 C-N-CA 127.808 2.443 . . . . 0.0 113.617 172.245 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 28.2 t -72.05 130.62 41.35 Favored 'General case' 0 CA--C 1.534 0.358 0 O-C-N 121.371 -0.831 . . . . 0.0 110.59 173.66 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -36.06 -51.03 0.73 Allowed 'General case' 0 CA--C 1.545 0.776 0 C-N-CA 128.777 2.831 . . . . 0.0 113.596 176.883 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 3.1 mm-40 -113.36 -1.5 14.21 Favored 'General case' 0 N--CA 1.474 0.77 0 C-N-CA 125.502 1.521 . . . . 0.0 113.054 -178.377 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 71.4 23.2 78.33 Favored Glycine 0 CA--C 1.535 1.334 0 O-C-N 120.497 -1.377 . . . . 0.0 115.997 -174.459 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 30.6 mmt -70.31 -177.13 1.35 Allowed 'General case' 0 N--CA 1.475 0.802 0 CA-C-N 119.387 1.594 . . . . 0.0 111.082 171.067 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 65.3 t -52.45 114.12 0.43 Allowed 'Isoleucine or valine' 0 N--CA 1.472 0.645 0 C-N-CA 125.144 1.377 . . . . 0.0 110.526 170.099 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 40.7 t -109.83 110.96 22.11 Favored 'General case' 0 C--O 1.237 0.396 0 C-N-CA 125.604 1.561 . . . . 0.0 109.357 -176.574 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 2.0 mpt_? -156.31 95.21 1.57 Allowed 'General case' 0 N--CA 1.481 1.085 0 C-N-CA 127.268 2.227 . . . . 0.0 109.411 171.996 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 18.9 mt 66.6 -32.66 0.18 Allowed 'General case' 0 N--CA 1.486 1.355 0 C-N-CA 126.832 2.053 . . . . 0.0 114.827 -171.656 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 26' ' ' TRP . . . . . . . . . . . . . 10.0 p-90 -140.02 174.42 10.53 Favored 'General case' 0 CA--C 1.538 0.506 0 C-N-CA 127.594 2.358 . . . . 0.0 111.769 170.827 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 8.9 t -153.23 80.0 1.18 Allowed 'General case' 0 CA--C 1.545 0.786 0 C-N-CA 123.793 0.837 . . . . 0.0 111.397 -178.191 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 1.2 mptm? -80.17 -84.62 0.09 Allowed 'General case' 0 N--CA 1.481 1.111 0 C-N-CA 124.38 1.072 . . . . 0.0 113.759 -171.705 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -162.45 137.04 6.7 Favored 'General case' 0 N--CA 1.472 0.666 0 C-N-CA 125.034 1.333 . . . . 0.0 109.941 177.831 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 4.6 tptt -163.85 44.47 0.11 Allowed 'General case' 0 N--CA 1.472 0.666 0 C-N-CA 124.644 1.178 . . . . 0.0 111.978 -179.564 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 24.8 tp -153.87 158.62 41.06 Favored 'General case' 0 N--CA 1.47 0.57 0 C-N-CA 124.384 1.074 . . . . 0.0 111.29 178.427 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 4.7 mp . . . . . 0 C--O 1.209 -1.04 0 N-CA-C 106.573 -1.64 . . . . 0.0 106.573 171.475 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.471 1.029 0 CA-C-O 119.158 -0.801 . . . . 0.0 112.37 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 25.4 Cg_endo -92.1 -1.59 4.16 Favored 'Trans proline' 0 CA--C 1.538 0.712 0 C-N-CA 124.526 3.484 . . . . 0.0 114.215 -169.78 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 3' ' ' TYR . . . . . . . . . . . . 0.407 0.9 OUTLIER -111.58 73.28 0.81 Allowed 'General case' 0 N--CA 1.463 0.179 0 C-N-CA 126.438 1.895 . . . . 0.0 115.02 -179.647 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -130.13 -58.87 1.06 Allowed 'General case' 0 CA--C 1.535 0.385 0 N-CA-C 113.526 0.935 . . . . 0.0 113.526 -170.882 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -64.26 -24.08 67.53 Favored 'General case' 0 CA--C 1.546 0.812 0 C-N-CA 125.503 1.521 . . . . 0.0 112.2 165.698 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 13.4 mmtt -77.96 -14.55 59.49 Favored 'General case' 0 CA--C 1.538 0.518 0 C-N-CA 127.465 2.306 . . . . 0.0 115.855 168.346 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 7' ' ' TRP . . . . . . . . . . . . . 26.7 t-105 -155.37 35.57 0.37 Allowed 'General case' 0 N--CA 1.477 0.91 0 CA-C-N 120.523 1.51 . . . . 0.0 114.992 -164.228 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 76.2 mtm 48.03 57.28 6.24 Favored 'General case' 0 CA--C 1.545 0.781 0 N-CA-C 115.048 1.499 . . . . 0.0 115.048 168.573 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 14.8 pt20 -60.04 8.22 0.02 OUTLIER 'General case' 0 N--CA 1.48 1.028 0 N-CA-C 118.971 2.952 . . . . 0.0 118.971 -161.352 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 9.8 m 56.36 74.22 0.41 Allowed 'General case' 0 N--CA 1.473 0.713 0 CA-C-N 120.172 1.351 . . . . 0.0 111.15 -161.528 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -76.16 72.33 2.95 Favored 'General case' 0 CA--C 1.538 0.499 0 O-C-N 121.303 -0.873 . . . . 0.0 111.644 172.426 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 72.3 m-20 -58.19 162.44 3.52 Favored 'General case' 0 CA--C 1.54 0.59 0 CA-C-N 114.968 -1.015 . . . . 0.0 110.892 153.264 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 5.4 t -56.59 -33.0 65.77 Favored 'General case' 0 N--CA 1.477 0.881 0 O-C-N 120.868 -1.145 . . . . 0.0 113.826 173.524 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 92.1 mt-10 -79.55 -4.78 52.97 Favored 'General case' 0 CA--C 1.546 0.809 0 N-CA-C 113.952 1.093 . . . . 0.0 113.952 175.86 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -82.24 132.78 35.23 Favored 'General case' 0 N--CA 1.469 0.482 0 O-C-N 120.327 -1.483 . . . . 0.0 111.472 -177.183 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 22.3 mtpp -70.92 94.26 1.05 Allowed 'General case' 0 N--CA 1.467 0.419 0 C-N-CA 124.327 1.051 . . . . 0.0 110.997 166.583 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 52.9 t -61.34 126.34 26.99 Favored 'General case' 0 CA--C 1.534 0.351 0 C-N-CA 123.342 0.657 . . . . 0.0 110.418 179.939 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -40.15 -50.7 2.67 Favored 'General case' 0 N--CA 1.471 0.59 0 C-N-CA 126.238 1.815 . . . . 0.0 113.962 -169.621 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -127.46 15.13 7.13 Favored 'General case' 0 CA--C 1.553 1.072 0 C-N-CA 125.303 1.441 . . . . 0.0 112.007 175.79 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 70.04 -12.4 1.69 Allowed Glycine 0 CA--C 1.543 1.807 0 O-C-N 119.838 -1.788 . . . . 0.0 116.836 -170.39 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 21' ' ' MET . . . . . 0.473 ' SD ' ' HA ' ' A' ' 29' ' ' LYS . 8.3 ptp -67.46 107.82 2.59 Favored 'General case' 0 CA--C 1.544 0.719 0 O-C-N 120.549 -1.56 . . . . 0.0 114.363 178.197 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . 0.311 1.0 OUTLIER 68.62 48.0 0.11 Allowed 'Isoleucine or valine' 0 N--CA 1.479 1.025 0 N-CA-C 118.113 2.635 . . . . 0.0 118.113 171.156 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 49.9 t -69.18 84.78 0.36 Allowed 'General case' 0 N--CA 1.477 0.88 0 CA-C-N 120.422 1.464 . . . . 0.0 113.537 -179.579 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -145.04 87.69 1.84 Allowed 'General case' 0 N--CA 1.478 0.964 0 C-N-CA 126.668 1.987 . . . . 0.0 110.096 175.384 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 44.1 mt 62.72 -18.45 0.05 OUTLIER 'General case' 0 N--CA 1.482 1.152 0 C-N-CA 126.655 1.982 . . . . 0.0 115.465 -167.624 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 26' ' ' TRP . . . . . . . . . . . . . 3.4 p-90 -151.28 -166.55 2.56 Favored 'General case' 0 C--N 1.326 -0.452 0 C-N-CA 126.294 1.838 . . . . 0.0 110.975 172.821 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 94.7 m -142.0 136.77 30.61 Favored 'General case' 0 CA--C 1.539 0.532 0 C-N-CA 125.547 1.539 . . . . 0.0 108.378 173.667 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 3.6 tmtm? -120.16 -97.14 0.46 Allowed 'General case' 0 N--CA 1.482 1.164 0 C-N-CA 124.086 0.954 . . . . 0.0 112.145 -168.731 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 29' ' ' LYS . . . . . 0.473 ' HA ' ' SD ' ' A' ' 21' ' ' MET . 39.9 tttm -164.64 131.55 3.06 Favored 'General case' 0 N--CA 1.477 0.917 0 C-N-CA 125.902 1.681 . . . . 0.0 109.724 176.588 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -155.26 32.45 0.38 Allowed 'General case' 0 N--CA 1.483 1.201 0 N-CA-C 116.662 2.097 . . . . 0.0 116.662 -166.896 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 4.2 mm? -113.78 164.82 13.23 Favored 'General case' 0 N--CA 1.467 0.402 0 C-N-CA 125.302 1.441 . . . . 0.0 109.613 166.396 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 85.2 mt . . . . . 0 C--O 1.213 -0.865 0 CA-C-O 123.667 1.698 . . . . 0.0 108.575 -169.45 . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.473 1.155 0 CA-C-O 118.438 -1.201 . . . . 0.0 110.578 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 6.0 Cg_endo -104.05 -123.79 0.0 OUTLIER 'Trans proline' 0 CA--C 1.542 0.897 0 C-N-CA 124.653 3.569 . . . . 0.0 109.907 -172.813 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 3' ' ' TYR . . . . . . . . . . . . 0.388 71.3 m-85 61.28 34.94 18.37 Favored 'General case' 0 N--CA 1.468 0.468 0 N-CA-C 117.653 2.464 . . . . 0.0 117.653 173.386 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 0.9 OUTLIER -128.77 -54.39 1.23 Allowed 'General case' 0 CA--C 1.548 0.88 0 N-CA-C 116.168 1.914 . . . . 0.0 116.168 -162.835 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -63.1 -27.79 69.63 Favored 'General case' 0 N--CA 1.479 0.991 0 O-C-N 120.239 -1.538 . . . . 0.0 113.095 178.943 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 75.3 tttt -76.46 -18.59 58.7 Favored 'General case' 0 CA--C 1.542 0.67 0 C-N-CA 124.058 0.943 . . . . 0.0 113.42 173.576 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 7' ' ' TRP . . . . . . . . . . . . . 8.4 t-105 -152.05 52.42 0.8 Allowed 'General case' 0 CA--C 1.556 1.188 0 CA-C-N 119.643 1.11 . . . . 0.0 113.433 -144.354 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 62.3 mtt 50.56 45.51 26.59 Favored 'General case' 0 N--CA 1.49 1.571 0 N-CA-C 116.298 1.962 . . . . 0.0 116.298 161.093 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -70.72 24.96 0.04 OUTLIER 'General case' 0 CA--C 1.549 0.94 0 N-CA-C 119.927 3.306 . . . . 0.0 119.927 -160.164 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 16.4 m 44.55 57.13 4.63 Favored 'General case' 0 N--CA 1.48 1.049 0 C-N-CA 124.961 1.304 . . . . 0.0 113.474 174.195 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 5.2 t -75.86 80.61 2.77 Favored 'General case' 0 CA--C 1.54 0.575 0 C-N-CA 125.457 1.503 . . . . 0.0 112.341 -173.986 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 52.5 m-20 -66.63 166.1 13.52 Favored 'General case' 0 CA--C 1.543 0.689 0 N-CA-C 116.1 1.889 . . . . 0.0 116.1 164.469 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 26.8 t -59.16 -33.65 71.16 Favored 'General case' 0 N--CA 1.477 0.894 0 N-CA-C 115.232 1.567 . . . . 0.0 115.232 -177.816 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 25.4 mm-40 -74.45 -23.38 58.9 Favored 'General case' 0 N--CA 1.477 0.902 0 O-C-N 120.627 -1.296 . . . . 0.0 114.276 170.735 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -92.24 134.87 34.48 Favored 'General case' 0 N--CA 1.463 0.188 0 C-N-CA 123.789 0.835 . . . . 0.0 111.958 -149.669 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 20.6 ptmt -63.69 129.09 38.7 Favored 'General case' 0 N--CA 1.468 0.463 0 C-N-CA 123.725 0.81 . . . . 0.0 111.287 -177.946 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 48.0 t -95.52 124.93 39.79 Favored 'General case' 0 CA--C 1.533 0.323 0 C-N-CA 123.794 0.838 . . . . 0.0 109.811 178.141 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -48.38 -56.04 9.2 Favored 'General case' 0 CA--C 1.539 0.527 0 N-CA-C 114.919 1.452 . . . . 0.0 114.919 -156.368 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 1.7 mm-40 -111.47 27.72 9.41 Favored 'General case' 0 N--CA 1.478 0.927 0 C-N-CA 124.955 1.302 . . . . 0.0 110.592 174.262 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 61.68 31.01 76.43 Favored Glycine 0 CA--C 1.535 1.329 0 O-C-N 120.039 -1.663 . . . . 0.0 113.328 -170.692 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 19.0 mmt -80.64 -157.27 0.15 Allowed 'General case' 0 CA--C 1.547 0.844 0 C-N-CA 126.152 1.781 . . . . 0.0 113.231 -173.374 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 2.5 t -71.24 74.49 0.17 Allowed 'Isoleucine or valine' 0 CA--C 1.54 0.586 0 C-N-CA 126.443 1.897 . . . . 0.0 114.866 -176.489 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 41.9 t -66.05 91.37 0.15 Allowed 'General case' 0 CA--C 1.549 0.916 0 N-CA-C 114.184 1.179 . . . . 0.0 114.184 -176.689 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 2.6 mpt_? -148.9 87.07 1.53 Allowed 'General case' 0 N--CA 1.483 1.197 0 C-N-CA 126.889 2.076 . . . . 0.0 109.499 165.52 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 77.7 mt 59.97 -67.89 0.04 OUTLIER 'General case' 0 N--CA 1.479 1.011 0 C-N-CA 126.252 1.821 . . . . 0.0 112.896 -161.449 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 26' ' ' TRP . . . . . . . . . . . . . 0.5 OUTLIER -70.8 169.94 13.56 Favored 'General case' 0 CA--C 1.54 0.56 0 O-C-N 120.601 -1.312 . . . . 0.0 113.444 167.391 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 17.0 m -134.54 50.4 2.18 Favored 'General case' 0 N--CA 1.467 0.408 0 C-N-CA 126.635 1.974 . . . . 0.0 109.175 164.466 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 27.9 pttt -57.83 146.52 31.43 Favored 'General case' 0 N--CA 1.469 0.479 0 C-N-CA 125.72 1.608 . . . . 0.0 111.745 -179.54 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 40.9 mtpt -56.05 112.84 1.31 Allowed 'General case' 0 N--CA 1.469 0.494 0 C-N-CA 124.226 1.01 . . . . 0.0 112.279 177.076 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 10.1 tmtt? -154.47 82.78 1.11 Allowed 'General case' 0 N--CA 1.474 0.743 0 C-N-CA 125.439 1.496 . . . . 0.0 109.104 165.16 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 7.0 tt -143.26 135.98 27.58 Favored 'General case' 0 C--N 1.329 -0.283 0 C-N-CA 124.82 1.248 . . . . 0.0 109.862 175.495 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 91.1 mt . . . . . 0 C--O 1.206 -1.22 0 O-C-N 121.604 -0.685 . . . . 0.0 109.282 -175.998 . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.468 0.783 0 N-CA-C 110.449 -1.061 . . . . 0.0 110.449 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 91.9 Cg_endo -75.58 -164.13 0.23 Allowed 'Trans proline' 0 CA--C 1.546 1.092 0 C-N-CA 124.298 3.332 . . . . 0.0 113.546 -172.569 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 3' ' ' TYR . . . . . . . . . . . . 0.458 45.6 m-85 64.21 63.19 0.8 Allowed 'General case' 0 N--CA 1.465 0.301 0 N-CA-C 118.103 2.631 . . . . 0.0 118.103 -179.527 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -128.16 -72.11 0.63 Allowed 'General case' 0 CA--C 1.536 0.423 0 C-N-CA 124.109 0.964 . . . . 0.0 111.717 179.471 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -54.43 -44.83 72.8 Favored 'General case' 0 N--CA 1.474 0.766 0 O-C-N 121.102 -0.999 . . . . 0.0 111.974 179.375 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 45.7 tttm -62.95 -16.14 58.27 Favored 'General case' 0 CA--C 1.544 0.714 0 N-CA-C 115.16 1.541 . . . . 0.0 115.16 -179.489 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 7' ' ' TRP . . . . . . . . . . . . . 17.1 t90 -141.31 9.2 2.06 Favored 'General case' 0 CA--C 1.547 0.852 0 N-CA-C 113.66 0.985 . . . . 0.0 113.66 -160.506 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 8' ' ' MET . . . . . . . . . . . . 0.276 86.7 mtp 67.14 -15.33 0.16 Allowed 'General case' 0 N--CA 1.481 1.087 0 N-CA-C 117.992 2.59 . . . . 0.0 117.992 167.395 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 9' ' ' GLN . . . . . 0.407 ' OE1' ' SG ' ' A' ' 17' ' ' CYS . 0.0 OUTLIER 57.17 -6.69 0.03 OUTLIER 'General case' 0 N--CA 1.486 1.36 1 N-CA-C 122.854 4.39 . . . . 0.0 122.854 132.739 . . . . . . . . 4 4 . 1 . 006 nuclear build full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER 54.5 66.62 1.18 Allowed 'General case' 0 N--CA 1.478 0.927 0 CA-C-N 120.361 1.437 . . . . 0.0 111.596 -175.712 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 51.7 t -73.15 53.65 0.38 Allowed 'General case' 0 CA--C 1.55 0.973 0 O-C-N 119.916 -1.74 . . . . 0.0 114.289 -179.502 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 70.5 m-20 -56.36 165.74 1.01 Allowed 'General case' 0 CA--C 1.539 0.532 0 N-CA-C 115.611 1.708 . . . . 0.0 115.611 167.96 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 16.0 t -60.51 -13.78 15.85 Favored 'General case' 0 CA--C 1.542 0.67 0 C-N-CA 125.513 1.525 . . . . 0.0 114.219 -178.888 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 91.2 mt-10 -109.21 3.69 22.04 Favored 'General case' 0 N--CA 1.476 0.856 0 C-N-CA 125.822 1.649 . . . . 0.0 113.444 179.414 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 2.0 mmt85 -103.57 149.77 24.57 Favored 'General case' 0 N--CA 1.472 0.649 0 C-N-CA 126.571 1.949 . . . . 0.0 112.429 -175.528 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 10.4 pttm -60.14 163.53 4.8 Favored 'General case' 0 N--CA 1.474 0.755 0 CA-C-O 121.673 0.749 . . . . 0.0 110.186 160.541 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 17' ' ' CYS . . . . . 0.407 ' SG ' ' OE1' ' A' ' 9' ' ' GLN . 0.6 OUTLIER -139.69 29.91 2.11 Favored 'General case' 0 CA--C 1.543 0.693 0 N-CA-C 115.693 1.738 . . . . 0.0 115.693 175.125 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 1.8 m 60.23 -78.07 0.02 OUTLIER 'General case' 0 N--CA 1.469 0.516 0 C-N-CA 128.186 2.594 . . . . 0.0 113.65 -175.243 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -104.69 -175.12 2.7 Favored 'General case' 0 CA--C 1.551 1.002 0 C-N-CA 125.359 1.464 . . . . 0.0 111.854 177.571 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -80.55 1.64 81.59 Favored Glycine 0 CA--C 1.538 1.491 0 O-C-N 120.706 -1.246 . . . . 0.0 114.435 169.966 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 38.8 mmt -53.22 157.89 1.76 Allowed 'General case' 0 N--CA 1.466 0.366 0 C-N-CA 126.421 1.888 . . . . 0.0 113.863 178.506 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 30.1 t -45.95 119.85 0.53 Allowed 'Isoleucine or valine' 0 N--CA 1.471 0.617 0 C-N-CA 124.923 1.289 . . . . 0.0 112.026 -178.493 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 23' ' ' CYS . . . . . 0.415 ' HB2' ' SG ' ' A' ' 27' ' ' CYS . 43.9 t -106.09 109.21 21.08 Favored 'General case' 0 CA--C 1.538 0.498 0 C-N-CA 123.243 0.617 . . . . 0.0 111.687 171.596 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 1.8 mpt_? -140.44 108.25 5.67 Favored 'General case' 0 N--CA 1.471 0.621 0 C-N-CA 125.107 1.363 . . . . 0.0 108.845 157.805 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 3.9 mp 61.07 -38.57 0.1 Allowed 'General case' 0 N--CA 1.483 1.192 0 C-N-CA 127.478 2.311 . . . . 0.0 115.595 -161.688 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 26' ' ' TRP . . . . . . . . . . . . . 2.4 p-90 -115.68 -161.2 0.78 Allowed 'General case' 0 N--CA 1.471 0.619 0 C-N-CA 126.218 1.807 . . . . 0.0 113.752 -176.294 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 27' ' ' CYS . . . . . 0.415 ' SG ' ' HB2' ' A' ' 23' ' ' CYS . 1.4 m -135.53 134.93 39.97 Favored 'General case' 0 C--N 1.328 -0.363 0 O-C-N 118.798 -2.439 . . . . 0.0 107.863 141.965 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 67.2 mmtt -148.01 148.32 30.59 Favored 'General case' 0 N--CA 1.472 0.647 0 C-N-CA 124.026 0.931 . . . . 0.0 112.366 -174.43 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 35.3 mttt -76.24 104.58 6.83 Favored 'General case' 0 N--CA 1.467 0.387 0 N-CA-C 113.397 0.888 . . . . 0.0 113.397 -160.437 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 31.1 tttt -148.96 108.86 4.05 Favored 'General case' 0 N--CA 1.468 0.475 0 C-N-CA 126.529 1.932 . . . . 0.0 108.302 167.206 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 6.3 tp -148.37 30.36 0.84 Allowed 'General case' 0 N--CA 1.474 0.773 0 C-N-CA 124.489 1.116 . . . . 0.0 112.067 179.612 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--O 1.213 -0.853 0 CA-C-O 123.611 1.672 . . . . 0.0 110.498 -173.188 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.472 1.079 0 N-CA-C 108.675 -1.77 . . . . 0.0 108.675 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 55.4 Cg_endo -66.28 179.4 2.0 Allowed 'Trans proline' 0 CA--C 1.539 0.757 0 CA-C-N 118.419 1.11 . . . . 0.0 110.623 146.403 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 86.5 m-85 -112.06 -149.34 0.44 Allowed 'General case' 0 CA--C 1.539 0.531 0 C-N-CA 125.333 1.453 . . . . 0.0 110.563 158.684 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 0.9 OUTLIER -146.98 -51.87 0.21 Allowed 'General case' 0 CA--C 1.539 0.522 0 CA-C-N 120.927 1.694 . . . . 0.0 114.29 175.103 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 1.7 pm0 -66.81 -29.82 69.86 Favored 'General case' 0 CA--C 1.536 0.424 0 C-N-CA 125.832 1.653 . . . . 0.0 112.296 167.954 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 75.4 tttt -103.57 9.51 37.42 Favored 'General case' 0 CA--C 1.542 0.641 0 C-N-CA 126.856 2.062 . . . . 0.0 112.519 177.675 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 7' ' ' TRP . . . . . . . . . . . . . 1.1 t-105 -141.91 3.74 1.63 Allowed 'General case' 0 N--CA 1.479 0.979 0 C-N-CA 124.486 1.114 . . . . 0.0 112.425 -170.861 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 56.8 mtt 57.18 57.65 4.39 Favored 'General case' 0 CA--C 1.542 0.671 0 C-N-CA 126.773 2.029 . . . . 0.0 115.401 169.922 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -65.72 38.03 0.02 OUTLIER 'General case' 0 CA--C 1.56 1.358 0 N-CA-C 117.989 2.589 . . . . 0.0 117.989 -174.395 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 14.3 m 46.23 57.92 4.91 Favored 'General case' 0 N--CA 1.492 1.654 0 CA-C-N 121.107 1.776 . . . . 0.0 113.056 171.806 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 1.5 t -77.9 87.06 4.1 Favored 'General case' 0 CA--C 1.54 0.565 0 C-N-CA 123.968 0.907 . . . . 0.0 111.891 -166.568 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 12.8 m-20 -107.13 -169.86 1.61 Allowed 'General case' 0 CA--C 1.547 0.84 0 C-N-CA 127.374 2.269 . . . . 0.0 109.779 -178.858 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 45.0 t -50.7 -42.09 56.66 Favored 'General case' 0 N--CA 1.479 1.023 0 N-CA-C 114.608 1.336 . . . . 0.0 114.608 177.915 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 77.8 mm-40 -92.08 -7.26 49.18 Favored 'General case' 0 N--CA 1.469 0.508 0 N-CA-C 114.708 1.373 . . . . 0.0 114.708 -175.067 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 4.9 mmt85 -86.56 149.33 25.02 Favored 'General case' 0 N--CA 1.473 0.713 0 CA-C-N 119.805 1.184 . . . . 0.0 112.679 -177.132 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 58.3 mttp -98.27 106.02 18.24 Favored 'General case' 0 N--CA 1.468 0.441 0 C-N-CA 126.201 1.801 . . . . 0.0 109.602 -175.535 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 8.0 t -70.65 91.43 0.81 Allowed 'General case' 0 CA--C 1.538 0.517 0 C-N-CA 123.186 0.594 . . . . 0.0 111.092 -168.978 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 5.7 t 11.58 -69.12 0.0 OUTLIER 'General case' 0 CA--C 1.537 0.45 0 C-N-CA 131.392 3.877 . . . . 0.0 117.719 166.624 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 88.2 mt-10 -131.89 32.17 4.11 Favored 'General case' 0 N--CA 1.469 0.507 0 C-N-CA 126.362 1.865 . . . . 0.0 111.623 -171.662 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 65.55 26.12 71.77 Favored Glycine 0 CA--C 1.534 1.228 0 O-C-N 121.452 -0.78 . . . . 0.0 114.434 177.161 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 18.6 mmt -87.31 -171.55 3.53 Favored 'General case' 0 CA--C 1.545 0.76 0 C-N-CA 125.176 1.391 . . . . 0.0 111.707 -176.927 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 58.0 t -64.58 131.7 30.34 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.701 0 C-N-CA 124.732 1.213 . . . . 0.0 109.464 172.147 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 33.8 t -111.6 82.0 1.54 Allowed 'General case' 0 CA--C 1.54 0.559 0 C-N-CA 124.592 1.157 . . . . 0.0 111.201 -178.172 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 4.1 mpt_? -135.09 104.17 5.83 Favored 'General case' 0 N--CA 1.476 0.834 0 C-N-CA 125.317 1.447 . . . . 0.0 109.651 175.311 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 5.8 mp 61.77 -27.52 0.06 Allowed 'General case' 0 N--CA 1.479 0.994 0 C-N-CA 127.057 2.143 . . . . 0.0 114.738 -169.669 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 26' ' ' TRP . . . . . . . . . . . . . 0.1 OUTLIER -155.26 171.97 18.95 Favored 'General case' 0 C--N 1.325 -0.48 0 C-N-CA 127.551 2.34 . . . . 0.0 110.441 -177.871 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 16.2 t -107.48 43.86 1.14 Allowed 'General case' 0 CA--C 1.544 0.722 0 C-N-CA 123.988 0.915 . . . . 0.0 111.348 178.807 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 3.0 mmmp? -59.11 139.93 56.37 Favored 'General case' 0 N--CA 1.479 0.977 0 C-N-CA 123.885 0.874 . . . . 0.0 110.972 -175.256 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 59.2 mtpt -60.88 131.44 50.68 Favored 'General case' 0 N--CA 1.475 0.819 0 C-N-CA 123.339 0.656 . . . . 0.0 111.176 -177.547 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -152.82 31.98 0.5 Allowed 'General case' 0 N--CA 1.477 0.881 0 N-CA-C 113.013 0.746 . . . . 0.0 113.013 -165.588 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 44.2 tp -138.37 145.87 41.6 Favored 'General case' 0 CA--C 1.534 0.363 0 N-CA-C 113.145 0.794 . . . . 0.0 113.145 -157.746 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 59.0 mt . . . . . 0 C--O 1.212 -0.882 0 N-CA-C 107.235 -1.394 . . . . 0.0 107.235 162.767 . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.465 0.623 0 CA-C-O 118.088 -1.396 . . . . 0.0 111.081 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 66.8 Cg_endo -71.59 -179.34 3.63 Favored 'Trans proline' 0 CA--C 1.54 0.819 0 C-N-CA 122.988 2.459 . . . . 0.0 110.881 163.284 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -141.0 131.84 25.88 Favored 'General case' 0 CA--C 1.533 0.297 0 N-CA-C 105.324 -2.102 . . . . 0.0 105.324 -164.698 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -38.37 -49.33 1.42 Allowed 'General case' 0 CA--C 1.548 0.876 0 C-N-CA 128.153 2.581 . . . . 0.0 114.488 169.889 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -66.78 -54.21 25.06 Favored 'General case' 0 CA--C 1.539 0.549 0 C-N-CA 124.643 1.177 . . . . 0.0 111.464 179.634 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 11.3 mttp -72.76 3.22 5.38 Favored 'General case' 0 N--CA 1.474 0.749 0 N-CA-C 115.814 1.783 . . . . 0.0 115.814 -178.54 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 7' ' ' TRP . . . . . . . . . . . . 0.278 32.9 m95 -131.87 13.57 4.82 Favored 'General case' 0 N--CA 1.47 0.529 0 N-CA-C 116.903 2.186 . . . . 0.0 116.903 172.947 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 5.9 mtt 56.69 55.69 6.13 Favored 'General case' 0 N--CA 1.478 0.948 0 N-CA-C 113.914 1.079 . . . . 0.0 113.914 174.452 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 4.1 pt20 -58.62 5.5 0.02 OUTLIER 'General case' 0 CA--C 1.551 1.017 0 N-CA-C 120.239 3.422 . . . . 0.0 120.239 -168.959 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 5.0 m 56.91 71.52 0.57 Allowed 'General case' 0 N--CA 1.479 0.999 0 O-C-N 120.363 -1.461 . . . . 0.0 112.587 -163.141 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 9.0 t -74.3 79.52 1.84 Allowed 'General case' 0 CA--C 1.541 0.633 0 O-C-N 121.15 -0.969 . . . . 0.0 111.297 -176.606 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 81.2 m-20 -70.99 163.81 26.81 Favored 'General case' 0 CA--C 1.534 0.343 0 C-N-CA 125.557 1.543 . . . . 0.0 114.326 174.357 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 8.7 t -61.68 -16.6 50.22 Favored 'General case' 0 N--CA 1.472 0.629 0 O-C-N 121.089 -1.007 . . . . 0.0 112.807 173.763 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 46.2 mt-10 -105.22 21.44 17.13 Favored 'General case' 0 CA--C 1.548 0.901 0 C-N-CA 125.493 1.517 . . . . 0.0 113.467 170.881 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 18.4 tpp85 -118.94 136.95 53.81 Favored 'General case' 0 N--CA 1.481 1.116 0 O-C-N 120.121 -1.612 . . . . 0.0 112.251 -174.901 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 66.1 mmtt -72.5 161.06 31.3 Favored 'General case' 0 N--CA 1.48 1.037 0 C-N-CA 125.436 1.494 . . . . 0.0 111.204 171.581 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 32.8 t -135.9 148.07 48.42 Favored 'General case' 0 CA--C 1.542 0.642 0 CA-C-O 122.559 1.171 . . . . 0.0 112.868 166.042 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 28.6 m -51.93 -34.57 42.42 Favored 'General case' 0 CA--C 1.537 0.461 0 C-N-CA 127.566 2.346 . . . . 0.0 114.286 -178.353 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -123.55 -31.45 3.49 Favored 'General case' 0 CA--C 1.542 0.644 0 C-N-CA 125.412 1.485 . . . . 0.0 112.894 170.623 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 94.06 63.07 1.05 Allowed Glycine 0 CA--C 1.529 0.926 0 O-C-N 120.988 -1.07 . . . . 0.0 112.98 178.686 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 50.2 mmm -115.09 -162.54 0.83 Allowed 'General case' 0 CA--C 1.539 0.526 0 C-N-CA 125.011 1.325 . . . . 0.0 111.134 -170.109 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 5.1 t -58.32 131.2 22.34 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.79 0 O-C-N 120.908 -1.12 . . . . 0.0 111.834 178.344 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 44.6 t -142.62 93.92 2.58 Favored 'General case' 0 CA--C 1.546 0.79 0 C-N-CA 123.962 0.905 . . . . 0.0 112.005 -151.171 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 24' ' ' ARG . . . . . 0.421 ' C ' ' H ' ' A' ' 26' ' ' TRP . 0.9 OUTLIER -161.97 129.26 3.91 Favored 'General case' 0 N--CA 1.493 1.695 0 C-N-CA 128.456 2.702 . . . . 0.0 106.485 164.841 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 5.9 mp 58.64 -17.9 0.02 OUTLIER 'General case' 0 N--CA 1.488 1.441 0 C-N-CA 126.87 2.068 . . . . 0.0 115.527 -175.661 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 26' ' ' TRP . . . . . 0.421 ' H ' ' C ' ' A' ' 24' ' ' ARG . 4.1 p-90 -157.41 166.97 31.6 Favored 'General case' 0 C--N 1.327 -0.41 0 C-N-CA 130.516 3.527 . . . . 0.0 109.899 -177.074 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 49.8 t -115.72 125.29 52.61 Favored 'General case' 0 CA--C 1.533 0.321 0 N-CA-C 107.332 -1.358 . . . . 0.0 107.332 162.575 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 31.4 mmmt -137.9 135.59 36.26 Favored 'General case' 0 N--CA 1.478 0.929 0 C-N-CA 124.272 1.029 . . . . 0.0 111.139 -171.644 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 15.3 mtpp -69.3 134.9 49.7 Favored 'General case' 0 N--CA 1.471 0.59 0 C-N-CA 123.833 0.853 . . . . 0.0 111.65 -179.707 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 5.3 tptm -154.63 43.25 0.5 Allowed 'General case' 0 N--CA 1.473 0.704 0 C-N-CA 124.462 1.105 . . . . 0.0 110.937 -179.368 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 13.7 tp -145.69 133.2 20.82 Favored 'General case' 0 CA--C 1.538 0.492 0 C-N-CA 124.629 1.172 . . . . 0.0 111.929 -168.991 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 4.0 pp . . . . . 0 C--O 1.208 -1.097 0 C-N-CA 123.526 0.73 . . . . 0.0 110.437 177.347 . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.47 0.941 0 N-CA-C 109.614 -1.394 . . . . 0.0 109.614 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 38.0 Cg_endo -66.7 128.87 19.8 Favored 'Trans proline' 0 CA--C 1.537 0.639 0 C-N-CA 123.489 2.792 . . . . 0.0 113.347 -175.7 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 3' ' ' TYR . . . . . . . . . . . . 0.339 47.3 m-85 -122.11 69.03 0.94 Allowed 'General case' 0 N--CA 1.462 0.142 0 C-N-CA 126.501 1.921 . . . . 0.0 114.315 168.635 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 7.4 p -133.59 -73.08 0.49 Allowed 'General case' 0 CA--C 1.54 0.565 0 C-N-CA 124.524 1.129 . . . . 0.0 112.226 -168.751 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 1.2 pm0 -62.2 -50.49 71.6 Favored 'General case' 0 N--CA 1.47 0.533 0 CA-C-N 119.028 0.831 . . . . 0.0 109.893 171.258 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 15.2 mtpp -66.15 -1.21 3.01 Favored 'General case' 0 N--CA 1.473 0.699 0 C-N-CA 125.838 1.655 . . . . 0.0 114.958 177.076 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 7' ' ' TRP . . . . . . . . . . . . . 54.9 t90 -136.37 17.45 3.16 Favored 'General case' 0 CA--C 1.541 0.603 0 C-N-CA 124.601 1.16 . . . . 0.0 113.333 -177.509 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 41.7 mtt 57.31 56.53 5.05 Favored 'General case' 0 CA--C 1.543 0.674 0 N-CA-C 113.791 1.034 . . . . 0.0 113.791 170.078 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 15.9 pt20 -56.86 25.17 0.0 OUTLIER 'General case' 0 CA--C 1.558 1.259 0 N-CA-C 120.4 3.482 . . . . 0.0 120.4 -167.815 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 27.6 m 57.73 57.7 4.09 Favored 'General case' 0 N--CA 1.487 1.394 0 CA-C-N 122.14 2.245 . . . . 0.0 112.742 178.649 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -79.97 70.35 6.53 Favored 'General case' 0 CA--C 1.538 0.505 0 C-N-CA 124.766 1.227 . . . . 0.0 112.956 -174.229 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 15.6 m-20 -87.09 -171.33 3.45 Favored 'General case' 0 CA--C 1.543 0.709 0 C-N-CA 125.33 1.452 . . . . 0.0 114.18 153.405 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 29.8 p -69.01 34.39 0.03 OUTLIER 'General case' 0 N--CA 1.479 0.998 0 N-CA-C 116.637 2.088 . . . . 0.0 116.637 -179.935 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 49.6 mm-40 -140.48 42.74 1.88 Allowed 'General case' 0 C--O 1.238 0.464 0 C-N-CA 126.821 2.048 . . . . 0.0 111.903 176.577 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 15' ' ' ARG . . . . . 0.452 ' HE ' ' HA ' ' A' ' 15' ' ' ARG . 0.4 OUTLIER -136.21 125.18 24.25 Favored 'General case' 0 N--CA 1.474 0.753 0 N-CA-C 117.144 2.276 . . . . 0.0 117.144 -168.606 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 18.6 ptmt -63.68 66.6 0.02 OUTLIER 'General case' 0 CA--C 1.542 0.666 0 C-N-CA 127.148 2.179 . . . . 0.0 112.84 145.862 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 48.7 t -56.87 122.04 11.29 Favored 'General case' 0 C--O 1.237 0.436 0 O-C-N 120.528 -1.357 . . . . 0.0 109.587 175.91 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 14.7 m -67.55 -13.85 62.42 Favored 'General case' 0 CA--C 1.542 0.648 0 N-CA-C 113.535 0.939 . . . . 0.0 113.535 -167.416 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 62.1 mm-40 -138.91 171.59 14.1 Favored 'General case' 0 CA--C 1.545 0.776 0 C-N-CA 125.782 1.633 . . . . 0.0 111.532 179.178 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -86.87 -8.84 75.45 Favored Glycine 0 CA--C 1.534 1.268 0 C-N-CA 125.395 1.474 . . . . 0.0 115.646 -174.733 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 15.3 ptp -58.61 -163.33 0.0 OUTLIER 'General case' 0 CA--C 1.547 0.862 0 C-N-CA 128.976 2.91 . . . . 0.0 113.934 172.441 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 2.7 t -50.48 142.83 2.71 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.869 0 O-C-N 120.989 -1.069 . . . . 0.0 113.131 179.322 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 41.4 t -132.97 79.04 1.82 Allowed 'General case' 0 N--CA 1.466 0.329 0 C-N-CA 124.465 1.106 . . . . 0.0 109.245 164.526 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 3.1 mpt_? -144.41 112.08 6.16 Favored 'General case' 0 N--CA 1.467 0.4 0 C-N-CA 125.881 1.672 . . . . 0.0 108.143 171.861 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 3.9 mp 60.18 -32.46 0.06 Allowed 'General case' 0 CA--C 1.548 0.873 0 C-N-CA 126.658 1.983 . . . . 0.0 114.978 -166.434 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 26' ' ' TRP . . . . . 0.424 ' CZ3' ' HE2' ' A' ' 28' ' ' LYS . 0.1 OUTLIER -153.44 172.11 17.62 Favored 'General case' 0 C--N 1.328 -0.326 0 C-N-CA 126.579 1.952 . . . . 0.0 113.291 -173.072 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 69.7 m -114.17 90.14 3.27 Favored 'General case' 0 CA--C 1.535 0.404 0 C-N-CA 125.234 1.414 . . . . 0.0 110.017 171.176 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 28' ' ' LYS . . . . . 0.424 ' HE2' ' CZ3' ' A' ' 26' ' ' TRP . 0.0 OUTLIER -132.94 160.22 37.7 Favored 'General case' 0 N--CA 1.477 0.9 0 C-N-CA 124.474 1.109 . . . . 0.0 111.418 175.286 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 33.6 mttm -67.24 130.51 43.31 Favored 'General case' 0 N--CA 1.468 0.47 0 C-N-CA 123.664 0.786 . . . . 0.0 111.534 -168.831 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 11.8 tppt? -162.94 96.06 0.89 Allowed 'General case' 0 N--CA 1.469 0.494 0 C-N-CA 125.675 1.59 . . . . 0.0 108.186 162.853 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 57.2 tp -155.23 -31.38 0.1 Allowed 'General case' 0 N--CA 1.47 0.569 0 N-CA-C 113.492 0.923 . . . . 0.0 113.492 -176.143 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 47.8 mt . . . . . 0 C--O 1.212 -0.897 0 O-C-N 121.048 -1.033 . . . . 0.0 109.714 -167.548 . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.474 1.181 0 CA-C-O 118.402 -1.221 . . . . 0.0 111.188 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 86.1 Cg_endo -75.91 101.05 1.44 Allowed 'Trans proline' 0 N--CA 1.457 -0.62 0 C-N-CA 122.962 2.441 . . . . 0.0 110.601 -177.786 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 3' ' ' TYR . . . . . . . . . . . . 0.253 38.1 m-85 -53.25 127.95 26.34 Favored 'General case' 0 CA--C 1.538 0.483 0 N-CA-C 117.418 2.377 . . . . 0.0 117.418 -176.802 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 36.7 m -54.08 -43.67 70.52 Favored 'General case' 0 CA--C 1.538 0.497 0 N-CA-C 114.232 1.197 . . . . 0.0 114.232 -168.203 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -85.05 5.24 30.34 Favored 'General case' 0 CA--C 1.545 0.753 0 C-N-CA 125.142 1.377 . . . . 0.0 113.145 -173.903 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 4.4 ttmp? -137.26 -0.03 2.27 Favored 'General case' 0 CA--C 1.54 0.581 0 C-N-CA 127.659 2.384 . . . . 0.0 112.642 -166.231 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 7' ' ' TRP . . . . . . . . . . . . . 64.6 t90 -148.39 1.45 0.62 Allowed 'General case' 0 CA--C 1.553 1.092 0 N-CA-C 116.147 1.906 . . . . 0.0 116.147 -179.517 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 69.4 mtm 56.89 74.6 0.4 Allowed 'General case' 0 N--CA 1.477 0.876 0 C-N-CA 125.958 1.703 . . . . 0.0 113.458 176.95 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 10.0 pt20 -61.47 -2.39 0.73 Allowed 'General case' 0 CA--C 1.553 1.093 0 N-CA-C 116.219 1.933 . . . . 0.0 116.219 -174.563 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 33.5 m 59.27 92.39 0.04 OUTLIER 'General case' 0 N--CA 1.477 0.913 0 C-N-CA 125.591 1.556 . . . . 0.0 111.387 -149.97 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -97.95 77.84 2.51 Favored 'General case' 0 CA--C 1.537 0.467 0 C-N-CA 124.515 1.126 . . . . 0.0 111.56 -173.863 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 74.9 m-20 -68.41 173.77 4.64 Favored 'General case' 0 CA--C 1.548 0.902 0 C-N-CA 125.598 1.559 . . . . 0.0 114.332 169.447 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 42.4 t -55.61 -26.4 43.9 Favored 'General case' 0 N--CA 1.481 1.098 0 N-CA-C 114.805 1.409 . . . . 0.0 114.805 178.412 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 27.2 mt-10 -95.64 -10.17 30.12 Favored 'General case' 0 N--CA 1.474 0.766 0 N-CA-C 114.03 1.122 . . . . 0.0 114.03 179.144 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 11.3 mmt85 -82.38 133.02 35.21 Favored 'General case' 0 N--CA 1.471 0.595 0 O-C-N 121.044 -1.035 . . . . 0.0 112.929 -170.494 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -79.72 106.44 11.75 Favored 'General case' 0 N--CA 1.471 0.587 0 C-N-CA 123.188 0.595 . . . . 0.0 109.816 176.258 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 52.8 t -72.3 120.01 17.3 Favored 'General case' 0 CA--C 1.541 0.632 0 N-CA-C 108.446 -0.946 . . . . 0.0 108.446 164.34 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 63.5 m -49.7 -42.26 45.39 Favored 'General case' 0 N--CA 1.473 0.723 0 C-N-CA 125.72 1.608 . . . . 0.0 114.081 -163.124 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 54.9 mt-10 -96.35 15.32 21.55 Favored 'General case' 0 CA--C 1.544 0.721 0 N-CA-C 114.266 1.21 . . . . 0.0 114.266 -178.841 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 75.65 -5.19 39.42 Favored Glycine 0 CA--C 1.536 1.349 0 C-N-CA 126.042 1.782 . . . . 0.0 115.313 177.677 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 15.1 ptp -76.27 178.44 6.47 Favored 'General case' 0 CA--C 1.544 0.734 0 C-N-CA 126.568 1.947 . . . . 0.0 114.288 -175.948 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 19.6 t -53.23 131.76 15.45 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.914 0 C-N-CA 125.901 1.68 . . . . 0.0 113.909 -169.139 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 44.7 t -137.33 90.18 2.49 Favored 'General case' 0 CA--C 1.544 0.728 0 C-N-CA 126.719 2.008 . . . . 0.0 111.049 -165.255 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -145.32 93.25 2.35 Favored 'General case' 0 N--CA 1.477 0.925 0 C-N-CA 124.796 1.239 . . . . 0.0 110.638 175.66 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 18.9 mt 65.61 -46.04 0.38 Allowed 'General case' 0 CA--C 1.542 0.662 0 C-N-CA 127.464 2.306 . . . . 0.0 113.238 -169.307 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 26' ' ' TRP . . . . . . . . . . . . . 24.8 p-90 -96.17 167.38 11.24 Favored 'General case' 0 CA--C 1.534 0.341 0 C-N-CA 125.353 1.461 . . . . 0.0 112.774 164.155 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 2.4 t -127.33 129.67 48.07 Favored 'General case' 0 CA--C 1.542 0.646 0 N-CA-C 104.909 -2.256 . . . . 0.0 104.909 161.814 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 21.6 tptt -143.44 -100.86 0.12 Allowed 'General case' 0 N--CA 1.484 1.267 0 N-CA-C 114.156 1.169 . . . . 0.0 114.156 -156.354 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 7.8 mtpt -171.39 146.15 2.23 Favored 'General case' 0 N--CA 1.479 1.011 0 C-N-CA 126.917 2.087 . . . . 0.0 109.938 165.169 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 4.8 tptm -158.16 40.75 0.27 Allowed 'General case' 0 N--CA 1.481 1.086 0 C-N-CA 124.515 1.126 . . . . 0.0 111.65 173.501 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 6.7 tt -152.2 155.1 37.11 Favored 'General case' 0 CA--C 1.54 0.579 0 C-N-CA 126.385 1.874 . . . . 0.0 109.3 -172.816 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 6.0 mp . . . . . 0 C--O 1.208 -1.13 0 N-CA-C 107.472 -1.307 . . . . 0.0 107.472 -177.934 . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.469 0.884 0 N-CA-C 109.651 -1.38 . . . . 0.0 109.651 . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 98.6 Cg_endo -79.04 175.32 11.05 Favored 'Trans proline' 0 CA--C 1.538 0.712 0 C-N-CA 124.049 3.166 . . . . 0.0 113.644 -171.11 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 3' ' ' TYR . . . . . . . . . . . . 0.319 0.1 OUTLIER -134.42 149.02 50.74 Favored 'General case' 0 C--O 1.234 0.282 0 N-CA-C 116.965 2.209 . . . . 0.0 116.965 -178.555 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 3.8 m -112.48 -65.57 1.17 Allowed 'General case' 0 CA--C 1.536 0.433 0 C-N-CA 123.787 0.835 . . . . 0.0 111.323 169.828 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -60.0 -39.47 85.91 Favored 'General case' 0 N--CA 1.473 0.682 0 O-C-N 120.901 -1.124 . . . . 0.0 111.618 -179.966 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 7.8 mttp -69.46 -2.87 12.3 Favored 'General case' 0 N--CA 1.471 0.618 0 N-CA-C 114.701 1.371 . . . . 0.0 114.701 178.106 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 7' ' ' TRP . . . . . . . . . . . . . 4.8 t-105 -127.75 19.81 6.63 Favored 'General case' 0 CA--C 1.537 0.474 0 C-N-CA 124.324 1.049 . . . . 0.0 111.41 171.373 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 75.0 mtm 50.48 61.55 3.15 Favored 'General case' 0 CA--C 1.541 0.603 0 C-N-CA 125.234 1.414 . . . . 0.0 112.96 174.92 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -57.13 35.66 0.0 OUTLIER 'General case' 0 CA--C 1.551 1.01 0 C-N-CA 129.616 3.166 . . . . 0.0 119.329 -169.012 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 11.1 m 52.74 60.84 3.51 Favored 'General case' 0 N--CA 1.479 0.992 0 CA-C-N 120.678 1.581 . . . . 0.0 111.658 162.564 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 1.8 t -75.63 55.86 0.87 Allowed 'General case' 0 CA--C 1.541 0.598 0 C-N-CA 125.029 1.331 . . . . 0.0 114.08 -163.523 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 67.3 m-20 -67.79 159.64 29.86 Favored 'General case' 0 CA--C 1.536 0.409 0 C-N-CA 124.781 1.232 . . . . 0.0 113.823 158.33 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 33.3 t -57.1 -35.05 68.95 Favored 'General case' 0 N--CA 1.479 0.988 0 N-CA-C 114.539 1.311 . . . . 0.0 114.539 -171.082 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 13.9 pt-20 -73.38 -15.91 61.35 Favored 'General case' 0 CA--C 1.546 0.822 0 N-CA-C 115.228 1.566 . . . . 0.0 115.228 176.869 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -90.06 136.93 32.75 Favored 'General case' 0 N--CA 1.478 0.937 0 CA-C-N 119.73 1.15 . . . . 0.0 111.734 -171.794 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 37.8 mmtm -54.95 149.41 11.71 Favored 'General case' 0 N--CA 1.478 0.961 0 C-N-CA 125.022 1.329 . . . . 0.0 112.36 168.237 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 53.4 t -121.85 77.92 1.41 Allowed 'General case' 0 N--CA 1.469 0.505 0 C-N-CA 125.147 1.379 . . . . 0.0 109.451 173.154 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 2.4 m -70.03 28.36 0.03 OUTLIER 'General case' 0 CA--C 1.555 1.146 0 N-CA-C 116.361 1.986 . . . . 0.0 116.361 -162.742 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 4.9 mm-40 -132.67 -12.55 3.0 Favored 'General case' 0 CA--C 1.544 0.745 0 C-N-CA 125.663 1.585 . . . . 0.0 113.627 161.253 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 67.72 59.03 6.93 Favored Glycine 0 CA--C 1.535 1.282 0 CA-C-N 120.432 1.469 . . . . 0.0 113.547 -176.024 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 24.2 mmt -130.5 -160.18 1.02 Allowed 'General case' 0 N--CA 1.474 0.726 0 C-N-CA 125.08 1.352 . . . . 0.0 111.665 -164.881 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 13.5 t -46.67 141.62 1.12 Allowed 'Isoleucine or valine' 0 N--CA 1.474 0.749 0 CA-C-O 118.325 -0.845 . . . . 0.0 110.804 157.279 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 19.0 t -139.04 89.82 2.38 Favored 'General case' 0 CA--C 1.536 0.428 0 C-N-CA 125.627 1.571 . . . . 0.0 108.619 173.611 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 24' ' ' ARG . . . . . 0.422 ' C ' ' H ' ' A' ' 26' ' ' TRP . 4.3 mpt_? -144.37 99.58 3.39 Favored 'General case' 0 N--CA 1.476 0.84 0 C-N-CA 125.729 1.612 . . . . 0.0 109.485 178.935 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 25.7 mt 54.89 -20.68 0.01 OUTLIER 'General case' 0 N--CA 1.483 1.195 0 C-N-CA 128.317 2.647 . . . . 0.0 115.559 -159.424 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 26' ' ' TRP . . . . . 0.422 ' H ' ' C ' ' A' ' 24' ' ' ARG . 3.5 p-90 -157.24 172.79 18.0 Favored 'General case' 0 CA--C 1.54 0.56 0 C-N-CA 128.26 2.624 . . . . 0.0 111.974 -177.815 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 71.1 m -117.14 139.94 50.12 Favored 'General case' 0 CA--C 1.531 0.213 0 C-N-CA 125.967 1.707 . . . . 0.0 111.243 169.362 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 75.8 mttt -130.91 -115.94 0.23 Allowed 'General case' 0 N--CA 1.474 0.754 0 C-N-CA 125.952 1.701 . . . . 0.0 110.595 -178.216 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 3.1 ttpt -147.55 137.48 22.89 Favored 'General case' 0 N--CA 1.479 0.976 0 CA-C-N 120.351 1.432 . . . . 0.0 113.017 171.412 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 6.7 ttpt -156.63 -6.98 0.1 Allowed 'General case' 0 N--CA 1.486 1.336 0 C-N-CA 126.135 1.774 . . . . 0.0 115.527 171.057 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 34.1 tp -80.98 91.81 6.1 Favored 'General case' 0 N--CA 1.471 0.58 0 O-C-N 119.947 -1.721 . . . . 0.0 108.399 157.341 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 3.0 pp . . . . . 0 N--CA 1.485 1.31 0 C-N-CA 127.072 2.149 . . . . 0.0 109.534 -172.436 . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.47 0.944 0 CA-C-O 118.047 -1.418 . . . . 0.0 110.419 . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 69.5 Cg_endo -70.04 -23.87 29.01 Favored 'Trans proline' 0 CA--C 1.538 0.693 0 C-N-CA 124.193 3.262 . . . . 0.0 114.236 -177.173 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 6.5 p90 -140.02 137.92 35.03 Favored 'General case' 0 C--O 1.232 0.143 0 C-N-CA 125.496 1.518 . . . . 0.0 114.392 -177.246 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -161.82 -61.84 0.05 Allowed 'General case' 0 CA--C 1.539 0.528 0 N-CA-C 113.335 0.865 . . . . 0.0 113.335 173.441 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -64.24 -47.47 79.53 Favored 'General case' 0 N--CA 1.468 0.428 0 C-N-CA 124.714 1.206 . . . . 0.0 112.71 179.508 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 17.0 tttp -66.83 -9.8 41.23 Favored 'General case' 0 N--CA 1.469 0.487 0 C-N-CA 125.843 1.657 . . . . 0.0 113.321 -175.209 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 7' ' ' TRP . . . . . . . . . . . . . 0.1 OUTLIER -149.87 52.2 0.92 Allowed 'General case' 0 CA--C 1.55 0.965 0 C-N-CA 126.403 1.881 . . . . 0.0 107.965 -174.202 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 52.3 mtt 39.32 51.27 2.09 Favored 'General case' 0 N--CA 1.48 1.041 0 N-CA-C 117.314 2.339 . . . . 0.0 117.314 159.59 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 2.3 pt20 -58.38 -4.62 0.4 Allowed 'General case' 0 CA--C 1.553 1.064 0 N-CA-C 119.134 3.012 . . . . 0.0 119.134 -170.802 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 46.6 m 66.04 145.72 0.03 OUTLIER 'General case' 0 N--CA 1.482 1.163 0 CA-C-N 120.152 1.342 . . . . 0.0 112.843 -156.578 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 0.7 OUTLIER -156.74 128.58 7.23 Favored 'General case' 0 N--CA 1.468 0.459 0 O-C-N 119.632 -1.918 . . . . 0.0 110.791 -174.697 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 11.3 m-20 -149.14 165.29 32.23 Favored 'General case' 0 CA--C 1.544 0.713 0 C-N-CA 126.131 1.773 . . . . 0.0 107.314 -163.517 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 43.7 t -52.72 -38.12 60.26 Favored 'General case' 0 N--CA 1.482 1.139 0 O-C-N 120.791 -1.193 . . . . 0.0 114.071 178.797 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 70.5 tt0 -64.63 -34.12 77.53 Favored 'General case' 0 N--CA 1.473 0.688 0 N-CA-C 115.26 1.578 . . . . 0.0 115.26 173.832 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -112.55 138.22 49.64 Favored 'General case' 0 N--CA 1.466 0.344 0 C-N-CA 123.482 0.713 . . . . 0.0 112.72 -148.769 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 54.5 pttt -52.4 127.99 24.13 Favored 'General case' 0 N--CA 1.467 0.421 0 C-N-CA 124.979 1.312 . . . . 0.0 111.593 -172.883 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 5.9 t -89.91 117.41 28.71 Favored 'General case' 0 CA--C 1.531 0.246 0 N-CA-C 108.137 -1.06 . . . . 0.0 108.137 169.89 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 5.2 t -38.67 -43.2 0.87 Allowed 'General case' 0 CA--C 1.541 0.603 0 C-N-CA 127.363 2.265 . . . . 0.0 115.464 -179.285 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 55.0 mt-10 -128.89 22.1 5.82 Favored 'General case' 0 CA--C 1.546 0.825 0 C-N-CA 125.399 1.48 . . . . 0.0 111.593 -177.017 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 68.25 12.91 64.06 Favored Glycine 0 CA--C 1.541 1.663 0 N-CA-C 117.023 1.569 . . . . 0.0 117.023 177.954 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 18.3 mmt -76.74 -169.3 1.23 Allowed 'General case' 0 CA--C 1.547 0.865 0 C-N-CA 127.569 2.347 . . . . 0.0 113.914 -173.652 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 15.6 t -49.42 136.86 6.11 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.008 0 C-N-CA 124.641 1.176 . . . . 0.0 108.691 154.856 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 49.0 t -137.67 77.91 1.66 Allowed 'General case' 0 CA--C 1.539 0.547 0 C-N-CA 125.788 1.635 . . . . 0.0 110.397 -168.498 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -148.16 113.05 5.44 Favored 'General case' 0 N--CA 1.479 1.01 0 C-N-CA 126.68 1.992 . . . . 0.0 110.076 -179.169 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 48.5 mt 62.18 -32.14 0.09 Allowed 'General case' 0 N--CA 1.483 1.187 0 C-N-CA 127.441 2.296 . . . . 0.0 115.104 -162.526 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 26' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -153.16 159.21 42.66 Favored 'General case' 0 CA--C 1.532 0.254 0 C-N-CA 124.948 1.299 . . . . 0.0 110.395 173.12 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 9.0 t -87.77 123.41 32.54 Favored 'General case' 0 CA--C 1.531 0.234 0 N-CA-C 106.678 -1.601 . . . . 0.0 106.678 153.962 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . 0.289 2.2 tptm -122.06 -119.26 0.29 Allowed 'General case' 0 N--CA 1.478 0.95 0 CA-C-N 119.676 1.126 . . . . 0.0 111.607 -174.824 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 18.8 ttmm -139.0 129.02 25.15 Favored 'General case' 0 N--CA 1.471 0.616 0 CA-C-N 120.635 1.561 . . . . 0.0 111.637 166.346 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 3.7 tmtm? -118.3 -29.51 5.5 Favored 'General case' 0 N--CA 1.475 0.787 0 C-N-CA 126.646 1.978 . . . . 0.0 111.596 171.599 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 2.7 mm? -72.96 45.14 0.14 Allowed 'General case' 0 CA--C 1.552 1.026 0 C-N-CA 126.484 1.914 . . . . 0.0 111.933 174.685 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 17.6 mt . . . . . 0 C--O 1.215 -0.748 0 C-N-CA 125.429 1.492 . . . . 0.0 108.706 170.592 . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.471 1.005 0 CA-C-O 118.338 -1.257 . . . . 0.0 111.14 . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 95.8 Cg_endo -75.41 3.86 5.45 Favored 'Trans proline' 0 CA--C 1.542 0.879 0 C-N-CA 123.909 3.073 . . . . 0.0 115.279 -170.464 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 33.3 p90 -129.18 129.86 45.61 Favored 'General case' 0 C--O 1.237 0.4 0 N-CA-C 115.133 1.531 . . . . 0.0 115.133 177.667 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -154.12 -58.33 0.12 Allowed 'General case' 0 CA--C 1.545 0.784 0 N-CA-C 114.286 1.217 . . . . 0.0 114.286 -175.984 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -65.48 -44.47 87.03 Favored 'General case' 0 N--CA 1.477 0.879 0 O-C-N 121.01 -1.056 . . . . 0.0 110.246 171.964 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 31.6 tttm -73.71 4.07 5.59 Favored 'General case' 0 CA--C 1.542 0.664 0 C-N-CA 127.552 2.341 . . . . 0.0 114.031 -179.267 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 7' ' ' TRP . . . . . . . . . . . . . 23.5 t-105 -153.59 24.51 0.52 Allowed 'General case' 0 CA--C 1.549 0.929 0 C-N-CA 124.272 1.029 . . . . 0.0 113.028 -173.282 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 83.9 mtp 51.17 66.87 1.05 Allowed 'General case' 0 N--CA 1.476 0.874 0 N-CA-C 114.651 1.352 . . . . 0.0 114.651 172.939 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 5.7 pt20 -65.3 33.6 0.02 OUTLIER 'General case' 0 CA--C 1.555 1.163 0 N-CA-C 119.231 3.049 . . . . 0.0 119.231 -171.724 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 6.1 m 44.95 57.89 4.36 Favored 'General case' 0 N--CA 1.484 1.252 0 CA-C-N 120.902 1.683 . . . . 0.0 112.579 178.223 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 1.3 t -77.78 78.97 4.28 Favored 'General case' 0 CA--C 1.535 0.402 0 C-N-CA 123.769 0.828 . . . . 0.0 111.958 -161.509 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 74.3 m-20 -72.59 166.74 22.14 Favored 'General case' 0 CA--C 1.541 0.606 0 C-N-CA 126.028 1.731 . . . . 0.0 113.57 170.441 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 3.3 t -46.39 -40.66 12.45 Favored 'General case' 0 N--CA 1.48 1.054 0 N-CA-C 115.651 1.722 . . . . 0.0 115.651 -176.531 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 35.4 mp0 -101.04 9.66 41.92 Favored 'General case' 0 N--CA 1.472 0.634 0 C-N-CA 125.015 1.326 . . . . 0.0 113.515 -177.05 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -82.98 125.61 31.6 Favored 'General case' 0 N--CA 1.467 0.413 0 O-C-N 120.44 -1.412 . . . . 0.0 110.796 -169.564 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 10.8 ptmt -58.45 99.35 0.04 OUTLIER 'General case' 0 N--CA 1.479 0.994 0 C-N-CA 124.926 1.29 . . . . 0.0 113.25 178.211 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 43.6 t -66.05 140.91 58.3 Favored 'General case' 0 CA--C 1.54 0.588 0 C-N-CA 122.677 0.391 . . . . 0.0 111.756 -179.325 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 0.7 OUTLIER -60.94 -28.99 69.37 Favored 'General case' 0 CA--C 1.541 0.612 0 C-N-CA 126.946 2.098 . . . . 0.0 114.896 -177.599 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 97.0 mt-10 -136.65 -23.35 1.22 Allowed 'General case' 0 N--CA 1.472 0.636 0 C-N-CA 124.733 1.213 . . . . 0.0 113.722 -168.957 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 83.52 73.69 1.24 Allowed Glycine 0 CA--C 1.531 1.062 0 C-N-CA 124.06 0.838 . . . . 0.0 111.286 -162.892 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 16.0 mmt -141.82 178.19 7.66 Favored 'General case' 0 CA--C 1.54 0.579 0 C-N-CA 126.585 1.954 . . . . 0.0 110.862 -172.407 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 73.2 t -60.85 125.37 16.9 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.831 0 C-N-CA 124.186 0.994 . . . . 0.0 109.351 175.709 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 43.1 t -122.71 92.98 3.83 Favored 'General case' 0 CA--C 1.542 0.66 0 C-N-CA 126.157 1.783 . . . . 0.0 111.34 -168.026 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 4.7 mpt_? -151.45 106.85 3.33 Favored 'General case' 0 N--CA 1.482 1.157 0 C-N-CA 126.879 2.072 . . . . 0.0 109.601 179.547 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 6.5 mp 58.84 -33.42 0.05 OUTLIER 'General case' 0 N--CA 1.485 1.3 0 C-N-CA 128.451 2.7 . . . . 0.0 114.3 -161.023 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 26' ' ' TRP . . . . . . . . . . . . . 1.3 p-90 -141.62 157.65 44.82 Favored 'General case' 0 C--N 1.324 -0.525 0 C-N-CA 127.494 2.317 . . . . 0.0 110.878 178.58 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 0.6 OUTLIER -98.85 117.96 34.52 Favored 'General case' 0 N--CA 1.463 0.21 0 CA-C-O 117.638 -1.172 . . . . 0.0 107.965 166.865 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 68.8 mmtt -134.08 141.47 47.18 Favored 'General case' 0 N--CA 1.478 0.954 0 N-CA-C 116.605 2.076 . . . . 0.0 116.605 -167.801 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 25.0 tttp -77.84 79.8 4.31 Favored 'General case' 0 CA--C 1.536 0.42 0 C-N-CA 128.378 2.671 . . . . 0.0 113.003 -161.177 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -89.78 -5.97 56.43 Favored 'General case' 0 N--CA 1.479 0.98 0 N-CA-C 114.686 1.365 . . . . 0.0 114.686 172.529 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 9.0 tt -80.44 124.61 29.06 Favored 'General case' 0 N--CA 1.467 0.418 0 CA-C-N 119.227 0.921 . . . . 0.0 111.439 -177.028 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 2.4 pt? . . . . . 0 C--O 1.209 -1.043 0 CA-C-O 122.883 1.325 . . . . 0.0 110.868 179.714 . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.47 0.961 0 N-CA-C 110.628 -0.989 . . . . 0.0 110.628 . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 72.0 Cg_endo -76.77 -20.59 13.36 Favored 'Trans proline' 0 CA--C 1.537 0.648 0 C-N-CA 123.3 2.667 . . . . 0.0 114.305 -168.775 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 3' ' ' TYR . . . . . . . . . . . . 0.377 49.7 m-85 -77.39 46.52 0.52 Allowed 'General case' 0 CA--C 1.543 0.71 0 N-CA-C 118.022 2.601 . . . . 0.0 118.022 -170.016 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -36.39 -48.82 0.68 Allowed 'General case' 0 CA--C 1.546 0.788 0 C-N-CA 128.524 2.73 . . . . 0.0 116.507 -169.277 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -68.8 -39.19 80.23 Favored 'General case' 0 CA--C 1.546 0.789 0 C-N-CA 124.735 1.214 . . . . 0.0 113.24 -178.866 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 23.0 mttm -73.69 -36.52 65.3 Favored 'General case' 0 N--CA 1.477 0.899 0 C-N-CA 125.601 1.56 . . . . 0.0 114.019 173.689 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 7' ' ' TRP . . . . . . . . . . . . . 0.9 OUTLIER -83.59 -4.24 58.39 Favored 'General case' 0 N--CA 1.475 0.822 0 N-CA-C 116.27 1.952 . . . . 0.0 116.27 179.614 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 23.3 mtm 60.28 70.0 0.66 Allowed 'General case' 0 CA--C 1.538 0.5 0 C-N-CA 125.533 1.533 . . . . 0.0 111.774 -176.989 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -60.45 29.81 0.01 OUTLIER 'General case' 0 CA--C 1.554 1.107 0 C-N-CA 128.875 2.87 . . . . 0.0 118.205 -178.017 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 6.2 m 46.58 56.24 6.71 Favored 'General case' 0 N--CA 1.477 0.919 0 C-N-CA 127.025 2.13 . . . . 0.0 113.839 167.824 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -79.46 143.4 35.0 Favored 'General case' 0 CA--C 1.538 0.508 0 CA-C-N 115.465 -0.789 . . . . 0.0 111.812 -170.618 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 40.0 t0 -170.63 -179.63 2.98 Favored 'General case' 0 CA--C 1.544 0.725 0 N-CA-C 107.594 -1.262 . . . . 0.0 107.594 -139.335 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 30.2 t -59.35 -49.12 79.06 Favored 'General case' 0 N--CA 1.476 0.839 0 O-C-N 120.231 -1.543 . . . . 0.0 113.492 175.308 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 25.6 tt0 -95.12 16.26 16.89 Favored 'General case' 0 CA--C 1.544 0.737 0 N-CA-C 113.565 0.95 . . . . 0.0 113.565 -170.271 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -98.83 127.6 44.8 Favored 'General case' 0 N--CA 1.472 0.641 0 N-CA-C 115.16 1.541 . . . . 0.0 115.16 -169.994 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -60.52 156.76 15.57 Favored 'General case' 0 N--CA 1.469 0.508 0 CA-C-N 114.604 -1.18 . . . . 0.0 110.133 155.064 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 40.3 t -135.14 137.28 42.61 Favored 'General case' 0 CA--C 1.541 0.629 0 C-N-CA 124.073 0.949 . . . . 0.0 112.778 -167.735 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 1.9 t -57.94 -35.79 71.6 Favored 'General case' 0 CA--C 1.546 0.826 0 C-N-CA 126.405 1.882 . . . . 0.0 115.687 -166.631 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 29.2 mt-10 -147.67 27.67 0.98 Allowed 'General case' 0 CA--C 1.554 1.133 0 C-N-CA 124.581 1.152 . . . . 0.0 113.774 -174.988 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 69.98 8.23 60.86 Favored Glycine 0 CA--C 1.542 1.746 0 O-C-N 120.279 -1.513 . . . . 0.0 116.53 177.817 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -73.23 -178.02 2.75 Favored 'General case' 0 CA--C 1.546 0.805 0 C-N-CA 125.989 1.716 . . . . 0.0 112.677 176.521 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 91.2 t -64.17 142.52 16.76 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.758 0 C-N-CA 124.526 1.13 . . . . 0.0 110.593 171.731 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 36.8 t -122.81 80.58 1.77 Allowed 'General case' 0 CA--C 1.536 0.428 0 C-N-CA 126.581 1.952 . . . . 0.0 110.483 -166.645 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -140.09 108.49 5.84 Favored 'General case' 0 N--CA 1.479 0.982 0 C-N-CA 125.324 1.45 . . . . 0.0 110.92 -179.372 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 5.8 mp 62.25 -32.58 0.1 Allowed 'General case' 0 N--CA 1.477 0.877 0 C-N-CA 128.588 2.755 . . . . 0.0 114.133 -168.306 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 26' ' ' TRP . . . . . . . . . . . . . 0.4 OUTLIER -151.07 -179.51 7.37 Favored 'General case' 0 CA--C 1.539 0.521 0 C-N-CA 127.833 2.453 . . . . 0.0 111.289 171.622 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 0.9 OUTLIER -124.64 107.32 10.88 Favored 'General case' 0 CA--C 1.534 0.361 0 C-N-CA 125.42 1.488 . . . . 0.0 107.556 171.526 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 3.7 mptp? -116.33 141.68 47.84 Favored 'General case' 0 N--CA 1.48 1.052 0 C-N-CA 125.637 1.575 . . . . 0.0 110.77 174.812 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 1.1 ttmp? -58.33 115.16 2.78 Favored 'General case' 0 N--CA 1.479 0.997 0 N-CA-C 108.531 -0.914 . . . . 0.0 108.531 -178.237 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 10.0 tmtt? -150.34 95.97 2.33 Favored 'General case' 0 N--CA 1.467 0.407 0 C-N-CA 124.74 1.216 . . . . 0.0 108.723 -169.63 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -163.7 142.64 7.95 Favored 'General case' 0 CA--C 1.535 0.393 0 C-N-CA 127.456 2.302 . . . . 0.0 108.775 -164.099 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 3.0 pp . . . . . 0 C--O 1.21 -1.022 0 CA-C-O 121.517 0.675 . . . . 0.0 109.878 -178.658 . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.475 1.244 0 N-CA-C 108.32 -1.912 . . . . 0.0 108.32 . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 85.7 Cg_endo -56.34 160.52 10.9 Favored 'Trans proline' 0 CA--C 1.541 0.869 0 CA-C-N 118.408 1.104 . . . . 0.0 110.04 138.483 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 75.5 m-85 -143.66 179.94 6.83 Favored 'General case' 0 N--CA 1.47 0.544 0 C-N-CA 124.559 1.144 . . . . 0.0 113.298 -178.815 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 0.6 OUTLIER -132.9 -66.22 0.68 Allowed 'General case' 0 CA--C 1.541 0.604 0 N-CA-C 114.394 1.257 . . . . 0.0 114.394 174.492 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -60.77 -33.77 73.46 Favored 'General case' 0 N--CA 1.475 0.802 0 O-C-N 120.851 -1.155 . . . . 0.0 113.362 -177.788 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 77.7 tttt -71.54 -20.66 62.0 Favored 'General case' 0 CA--C 1.542 0.64 0 N-CA-C 113.76 1.022 . . . . 0.0 113.76 173.612 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 7' ' ' TRP . . . . . . . . . . . . . 1.0 OUTLIER -147.17 63.01 1.17 Allowed 'General case' 0 CA--C 1.552 1.053 0 CA-C-N 119.949 1.25 . . . . 0.0 111.894 -152.65 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 8' ' ' MET . . . . . . . . . . . . 0.259 29.4 mtt 54.44 35.93 24.37 Favored 'General case' 0 N--CA 1.483 1.208 0 N-CA-C 117.962 2.579 . . . . 0.0 117.962 161.941 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -67.15 17.68 0.03 OUTLIER 'General case' 0 N--CA 1.482 1.126 0 N-CA-C 120.236 3.421 . . . . 0.0 120.236 -168.113 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 9.1 m 50.74 60.82 3.59 Favored 'General case' 0 N--CA 1.484 1.252 0 CA-C-N 120.802 1.637 . . . . 0.0 113.905 162.032 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 6.0 t -83.39 62.06 6.52 Favored 'General case' 0 CA--C 1.542 0.648 0 N-CA-C 113.152 0.797 . . . . 0.0 113.152 -166.928 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 24.8 m-20 -62.88 167.18 4.89 Favored 'General case' 0 CA--C 1.538 0.501 0 N-CA-C 113.633 0.975 . . . . 0.0 113.633 168.546 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 2.1 p -53.51 -26.33 20.32 Favored 'General case' 0 N--CA 1.479 0.988 0 N-CA-C 116.565 2.061 . . . . 0.0 116.565 -179.227 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 6.3 pt-20 -97.9 3.42 49.72 Favored 'General case' 0 CA--C 1.545 0.767 0 N-CA-C 114.922 1.453 . . . . 0.0 114.922 177.156 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -95.33 155.51 16.71 Favored 'General case' 0 N--CA 1.476 0.833 0 C-N-CA 124.769 1.228 . . . . 0.0 111.289 175.624 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 35.5 mttp -67.34 165.62 16.05 Favored 'General case' 0 N--CA 1.473 0.693 0 C-N-CA 123.538 0.735 . . . . 0.0 110.444 161.672 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 43.0 t -120.28 122.15 40.22 Favored 'General case' 0 C--N 1.328 -0.36 0 C-N-CA 125.043 1.337 . . . . 0.0 109.592 163.333 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 0.7 OUTLIER -48.69 -43.59 37.19 Favored 'General case' 0 CA--C 1.542 0.642 0 C-N-CA 125.364 1.465 . . . . 0.0 114.877 -164.797 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 9.4 mm-40 -118.36 9.39 12.43 Favored 'General case' 0 CA--C 1.549 0.925 0 C-N-CA 125.837 1.655 . . . . 0.0 111.276 179.328 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 79.05 -8.03 47.88 Favored Glycine 0 CA--C 1.537 1.416 0 N-CA-C 117.332 1.693 . . . . 0.0 117.332 -173.287 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 16.0 ptp -115.1 137.7 51.71 Favored 'General case' 0 N--CA 1.477 0.912 0 CA-C-N 120.515 2.157 . . . . 0.0 116.423 -169.712 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . 0.381 1.3 t 65.72 41.61 0.14 Allowed 'Isoleucine or valine' 0 N--CA 1.479 0.999 0 N-CA-C 115.953 1.834 . . . . 0.0 115.953 176.895 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 42.2 t -64.22 80.29 0.03 OUTLIER 'General case' 0 CA--C 1.546 0.81 0 C-N-CA 126.058 1.743 . . . . 0.0 112.996 176.204 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 24' ' ' ARG . . . . . 0.41 ' C ' ' H ' ' A' ' 26' ' ' TRP . 2.8 mpt_? -153.82 103.12 2.57 Favored 'General case' 0 N--CA 1.481 1.091 0 C-N-CA 127.136 2.174 . . . . 0.0 110.493 179.201 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 42.1 mt 60.88 -21.5 0.03 OUTLIER 'General case' 0 N--CA 1.481 1.111 0 C-N-CA 128.852 2.861 . . . . 0.0 115.45 -170.562 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 26' ' ' TRP . . . . . 0.41 ' H ' ' C ' ' A' ' 24' ' ' ARG . 0.0 OUTLIER -149.67 -164.32 1.99 Allowed 'General case' 0 CA--C 1.546 0.821 0 C-N-CA 129.351 3.06 . . . . 0.0 108.074 174.602 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 61.4 m -123.43 161.25 25.17 Favored 'General case' 0 C--O 1.237 0.444 0 C-N-CA 124.219 1.008 . . . . 0.0 108.993 152.399 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 28' ' ' LYS . . . . . 0.458 ' HA ' ' HE3' ' A' ' 28' ' ' LYS . 0.3 OUTLIER -140.06 -109.11 0.16 Allowed 'General case' 0 N--CA 1.474 0.775 0 CA-C-O 118.504 -0.76 . . . . 0.0 112.852 -165.22 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 20.8 tttt -161.24 139.26 9.41 Favored 'General case' 0 N--CA 1.469 0.51 0 C-N-CA 124.362 1.065 . . . . 0.0 109.241 177.456 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -159.25 -27.36 0.07 Allowed 'General case' 0 N--CA 1.48 1.029 0 N-CA-C 113.522 0.934 . . . . 0.0 113.522 178.008 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 4.7 tt -80.4 144.72 32.44 Favored 'General case' 0 CA--C 1.537 0.47 0 CA-C-N 119.233 0.924 . . . . 0.0 109.598 163.199 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--O 1.208 -1.089 0 CA-C-O 124.122 1.915 . . . . 0.0 110.485 -151.459 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.465 0.59 0 N-CA-C 110.284 -1.126 . . . . 0.0 110.284 . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 57.2 Cg_endo -79.87 -7.69 14.42 Favored 'Trans proline' 0 N--CA 1.46 -0.465 0 C-N-CA 124.702 3.601 . . . . 0.0 114.76 -173.826 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 4.9 m-30 -46.95 145.69 1.95 Allowed 'General case' 0 CA--C 1.533 0.291 0 N-CA-C 116.428 2.01 . . . . 0.0 116.428 173.581 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -118.13 -64.55 1.28 Allowed 'General case' 0 CA--C 1.534 0.341 0 C-N-CA 123.601 0.761 . . . . 0.0 111.583 171.056 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -63.65 -52.71 59.54 Favored 'General case' 0 CA--C 1.538 0.494 0 O-C-N 120.926 -1.109 . . . . 0.0 111.831 177.634 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -78.82 19.39 0.52 Allowed 'General case' 0 CA--C 1.547 0.845 0 N-CA-C 113.864 1.061 . . . . 0.0 113.864 178.835 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 7' ' ' TRP . . . . . . . . . . . . . 67.4 t-105 -138.99 16.44 2.64 Favored 'General case' 0 CA--C 1.546 0.823 0 C-N-CA 125.498 1.519 . . . . 0.0 111.99 171.949 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 74.0 mtm 56.86 60.13 3.18 Favored 'General case' 0 N--CA 1.47 0.527 0 C-N-CA 125.945 1.698 . . . . 0.0 114.684 172.321 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 1.5 pt20 -58.36 46.76 0.0 OUTLIER 'General case' 0 CA--C 1.553 1.083 0 C-N-CA 129.874 3.269 . . . . 0.0 118.406 178.794 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 17.1 m 46.05 53.16 9.47 Favored 'General case' 0 N--CA 1.481 1.119 0 CA-C-N 119.822 1.192 . . . . 0.0 113.586 156.62 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 7.0 t -71.5 132.8 45.24 Favored 'General case' 0 CA--C 1.539 0.539 0 O-C-N 120.96 -1.087 . . . . 0.0 113.05 -154.039 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 12' ' ' ASP . . . . . 0.403 ' H ' ' HB2' ' A' ' 15' ' ' ARG . 77.5 m-20 -129.02 162.27 28.01 Favored 'General case' 0 CA--C 1.537 0.471 0 C-N-CA 127.742 2.417 . . . . 0.0 112.071 -179.161 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 38.2 t -59.45 -19.84 50.58 Favored 'General case' 0 N--CA 1.475 0.824 0 N-CA-C 113.884 1.068 . . . . 0.0 113.884 175.437 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 12.7 pt-20 -95.23 -9.73 32.4 Favored 'General case' 0 N--CA 1.473 0.691 0 C-N-CA 126.052 1.741 . . . . 0.0 114.478 174.248 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 15' ' ' ARG . . . . . 0.403 ' HB2' ' H ' ' A' ' 12' ' ' ASP . 0.0 OUTLIER -83.49 132.79 34.93 Favored 'General case' 0 N--CA 1.468 0.439 0 O-C-N 121.003 -1.061 . . . . 0.0 109.87 -164.647 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 64.2 mttm -63.7 84.22 0.03 OUTLIER 'General case' 0 N--CA 1.475 0.819 0 C-N-CA 123.801 0.84 . . . . 0.0 111.684 170.509 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 44.3 t -62.09 129.6 41.58 Favored 'General case' 0 CA--C 1.54 0.583 0 C-N-CA 124.404 1.082 . . . . 0.0 109.801 -179.759 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 39.6 t -104.24 4.15 33.52 Favored 'General case' 0 CA--C 1.545 0.777 0 C-N-CA 124.351 1.06 . . . . 0.0 113.463 -152.372 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 46.7 mt-10 -123.14 -6.02 8.36 Favored 'General case' 0 N--CA 1.478 0.932 0 C-N-CA 125.061 1.344 . . . . 0.0 113.424 145.61 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 87.69 25.25 33.14 Favored Glycine 0 CA--C 1.534 1.224 0 N-CA-C 116.24 1.256 . . . . 0.0 116.24 170.315 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 20.0 ptp -152.84 152.04 31.11 Favored 'General case' 0 CA--C 1.537 0.474 0 CA-C-N 119.245 1.522 . . . . 0.0 114.687 -177.876 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . 0.342 2.0 t 52.47 58.91 0.3 Allowed 'Isoleucine or valine' 0 N--CA 1.479 0.983 0 C-N-CA 126.948 2.099 . . . . 0.0 115.491 171.147 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 51.1 t -73.52 92.94 1.95 Allowed 'General case' 0 CA--C 1.541 0.633 0 C-N-CA 125.135 1.374 . . . . 0.0 111.603 -176.873 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 24' ' ' ARG . . . . . 0.411 ' C ' ' H ' ' A' ' 26' ' ' TRP . 2.3 mpt_? -144.14 98.53 3.23 Favored 'General case' 0 N--CA 1.482 1.143 0 C-N-CA 125.543 1.537 . . . . 0.0 110.798 176.029 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 22.8 mt 61.43 -25.73 0.04 OUTLIER 'General case' 0 N--CA 1.482 1.126 0 C-N-CA 127.087 2.155 . . . . 0.0 114.55 -166.814 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 26' ' ' TRP . . . . . 0.411 ' H ' ' C ' ' A' ' 24' ' ' ARG . 7.8 p-90 -153.7 -171.78 4.01 Favored 'General case' 0 CA--C 1.54 0.594 0 C-N-CA 128.088 2.555 . . . . 0.0 111.298 177.812 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 74.3 m -134.31 152.83 52.03 Favored 'General case' 0 CA--C 1.537 0.461 0 C-N-CA 126.6 1.96 . . . . 0.0 108.078 167.501 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 25.1 mmtp -154.84 171.7 19.2 Favored 'General case' 0 N--CA 1.483 1.204 0 C-N-CA 127.194 2.198 . . . . 0.0 111.535 179.051 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 64.2 mttm -59.73 118.68 6.43 Favored 'General case' 0 N--CA 1.476 0.832 0 C-N-CA 124.231 1.012 . . . . 0.0 111.444 169.972 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 1.5 mmtm -147.23 10.43 0.99 Allowed 'General case' 0 N--CA 1.473 0.723 0 C-N-CA 124.642 1.177 . . . . 0.0 113.816 -173.839 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 9.9 tt -96.14 139.65 32.0 Favored 'General case' 0 CA--C 1.533 0.301 0 C-N-CA 124.591 1.156 . . . . 0.0 110.96 170.935 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 96.8 mt . . . . . 0 C--O 1.207 -1.163 0 CA-C-O 122.638 1.209 . . . . 0.0 108.198 -177.015 . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.469 0.887 0 N-CA-C 109.11 -1.596 . . . . 0.0 109.11 . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 46.0 Cg_endo -67.45 -14.23 41.8 Favored 'Trans proline' 0 CA--C 1.54 0.776 0 C-N-CA 123.279 2.652 . . . . 0.0 115.127 -170.234 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 3' ' ' TYR . . . . . . . . . . . . 0.353 7.3 p90 -143.05 77.67 1.58 Allowed 'General case' 0 N--CA 1.465 0.292 0 N-CA-C 116.705 2.113 . . . . 0.0 116.705 176.424 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 8.6 p -132.59 -12.43 3.04 Favored 'General case' 0 CA--C 1.543 0.709 0 N-CA-C 114.271 1.212 . . . . 0.0 114.271 171.382 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 2.8 tt0 -91.59 -44.83 8.82 Favored 'General case' 0 N--CA 1.472 0.649 0 O-C-N 120.913 -1.117 . . . . 0.0 110.29 168.013 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 1.7 ttpm? -87.76 21.95 2.45 Favored 'General case' 0 CA--C 1.545 0.771 0 C-N-CA 125.941 1.696 . . . . 0.0 113.405 -178.063 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 7' ' ' TRP . . . . . . . . . . . . . 0.8 OUTLIER -160.26 157.98 29.08 Favored 'General case' 0 CA--C 1.541 0.596 0 C-N-CA 125.713 1.605 . . . . 0.0 108.833 -175.209 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 27.3 mtt -83.69 77.9 9.78 Favored 'General case' 0 N--CA 1.476 0.855 0 O-C-N 121.081 -1.012 . . . . 0.0 112.58 -173.269 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -64.65 11.86 0.05 OUTLIER 'General case' 0 CA--C 1.548 0.879 0 N-CA-C 118.377 2.732 . . . . 0.0 118.377 -168.95 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 2.6 m 47.5 87.01 0.02 OUTLIER 'General case' 0 N--CA 1.476 0.854 0 C-N-CA 126.835 2.054 . . . . 0.0 114.461 177.381 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 80.1 m -72.95 46.65 0.17 Allowed 'General case' 0 CA--C 1.546 0.805 0 C-N-CA 125.957 1.703 . . . . 0.0 115.279 -173.861 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 74.2 m-20 -58.1 145.82 35.34 Favored 'General case' 0 CA--C 1.533 0.29 0 N-CA-C 114.328 1.233 . . . . 0.0 114.328 171.904 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 22.3 t -61.38 -8.41 3.96 Favored 'General case' 0 N--CA 1.477 0.892 0 N-CA-C 115.496 1.665 . . . . 0.0 115.496 -173.756 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 93.3 mt-10 -94.88 1.98 55.37 Favored 'General case' 0 N--CA 1.474 0.738 0 C-N-CA 125.405 1.482 . . . . 0.0 114.274 171.807 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -113.59 152.61 30.08 Favored 'General case' 0 N--CA 1.468 0.456 0 CA-C-O 122.738 1.256 . . . . 0.0 112.945 -169.524 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 18.3 mttm -68.62 147.93 51.2 Favored 'General case' 0 N--CA 1.468 0.45 0 C-N-CA 125.753 1.621 . . . . 0.0 112.12 161.911 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 10.1 t -79.18 137.72 37.56 Favored 'General case' 0 CA--C 1.533 0.315 0 N-CA-C 109.453 -0.573 . . . . 0.0 109.453 150.898 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 4.9 t -50.25 -44.86 53.75 Favored 'General case' 0 CA--C 1.537 0.472 0 C-N-CA 125.717 1.607 . . . . 0.0 114.665 -177.651 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 8.5 mm-40 -122.2 11.91 10.2 Favored 'General case' 0 N--CA 1.481 1.113 0 C-N-CA 124.721 1.208 . . . . 0.0 113.041 -179.347 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 72.07 14.47 76.31 Favored Glycine 0 CA--C 1.542 1.74 0 O-C-N 119.875 -1.766 . . . . 0.0 115.676 -174.237 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 11.5 mmt -67.21 178.43 1.49 Allowed 'General case' 0 CA--C 1.547 0.861 0 C-N-CA 126.244 1.817 . . . . 0.0 111.317 170.603 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 92.6 t -67.67 131.67 32.96 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.959 0 C-N-CA 124.402 1.081 . . . . 0.0 110.222 170.434 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 2.0 t -128.22 111.84 13.85 Favored 'General case' 0 CA--C 1.542 0.644 0 C-N-CA 124.316 1.046 . . . . 0.0 112.37 -166.773 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 24' ' ' ARG . . . . . 0.401 ' C ' ' H ' ' A' ' 26' ' ' TRP . 0.2 OUTLIER -148.49 107.06 3.78 Favored 'General case' 0 N--CA 1.481 1.076 0 C-N-CA 125.519 1.528 . . . . 0.0 110.495 169.079 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 57.7 mt 58.05 -26.41 0.02 OUTLIER 'General case' 0 N--CA 1.485 1.293 0 C-N-CA 127.254 2.222 . . . . 0.0 115.655 -165.112 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 26' ' ' TRP . . . . . 0.401 ' H ' ' C ' ' A' ' 24' ' ' ARG . 7.3 p-90 -148.05 158.99 44.36 Favored 'General case' 0 CA--C 1.536 0.433 0 C-N-CA 128.851 2.86 . . . . 0.0 110.844 179.098 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -128.04 64.06 1.39 Allowed 'General case' 0 CA--C 1.54 0.578 0 CA-C-O 121.744 0.783 . . . . 0.0 111.739 -177.33 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 35.5 tttp -55.52 -81.95 0.01 OUTLIER 'General case' 0 N--CA 1.477 0.89 0 C-N-CA 127.352 2.261 . . . . 0.0 113.153 -164.494 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 4.6 mtpp -176.21 134.53 0.25 Allowed 'General case' 0 N--CA 1.474 0.772 0 C-N-CA 128.327 2.651 . . . . 0.0 108.45 168.89 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 14.4 ttmm -164.58 39.62 0.08 Allowed 'General case' 0 N--CA 1.482 1.155 0 C-N-CA 124.14 0.976 . . . . 0.0 112.754 -178.574 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 27.7 tp -141.72 150.52 41.92 Favored 'General case' 0 N--CA 1.472 0.665 0 O-C-N 120.259 -1.526 . . . . 0.0 113.568 -166.102 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--O 1.212 -0.919 0 CA-C-O 123.112 1.434 . . . . 0.0 108.375 -176.79 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.472 1.039 0 CA-C-O 118.977 -0.901 . . . . 0.0 112.22 . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 71.7 Cg_endo -64.25 165.2 20.33 Favored 'Trans proline' 0 CA--C 1.539 0.77 0 C-N-CA 122.991 2.46 . . . . 0.0 111.176 169.881 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 3' ' ' TYR . . . . . . . . . . . . 0.347 1.3 p90 -119.58 131.69 55.57 Favored 'General case' 0 N--CA 1.465 0.298 0 N-CA-C 117.253 2.316 . . . . 0.0 117.253 -175.128 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -155.62 -55.41 0.09 Allowed 'General case' 0 CA--C 1.54 0.589 0 N-CA-C 112.894 0.702 . . . . 0.0 112.894 168.834 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -61.41 -38.98 89.06 Favored 'General case' 0 N--CA 1.473 0.68 0 O-C-N 120.835 -1.166 . . . . 0.0 112.85 -175.682 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 51.1 tttt -75.85 -21.16 57.52 Favored 'General case' 0 N--CA 1.473 0.718 0 C-N-CA 124.782 1.233 . . . . 0.0 113.7 172.591 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 7' ' ' TRP . . . . . . . . . . . . . 56.9 t-105 -128.81 67.78 1.4 Allowed 'General case' 0 CA--C 1.534 0.352 0 C-N-CA 126.455 1.902 . . . . 0.0 111.216 -162.414 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 51.5 mtt 46.7 40.56 8.86 Favored 'General case' 0 CA--C 1.549 0.937 0 N-CA-C 116.176 1.917 . . . . 0.0 116.176 150.197 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -78.23 22.29 0.32 Allowed 'General case' 0 N--CA 1.472 0.641 0 N-CA-C 118.357 2.725 . . . . 0.0 118.357 -152.743 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 3.0 m 53.13 44.84 29.78 Favored 'General case' 0 N--CA 1.477 0.906 0 CA-C-N 120.162 1.347 . . . . 0.0 112.904 -179.651 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 1.8 t -70.9 120.64 16.78 Favored 'General case' 0 CA--C 1.538 0.501 0 O-C-N 121.139 -0.976 . . . . 0.0 109.322 -179.389 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 49.7 t0 -159.96 166.65 29.66 Favored 'General case' 0 CA--C 1.543 0.701 0 N-CA-C 106.786 -1.561 . . . . 0.0 106.786 -151.855 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 28.8 t -34.25 -53.61 0.5 Allowed 'General case' 0 N--CA 1.48 1.069 0 N-CA-C 117.003 2.223 . . . . 0.0 117.003 -164.725 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 29.8 tt0 -96.17 -23.46 16.73 Favored 'General case' 0 CA--C 1.542 0.639 0 N-CA-C 114.639 1.348 . . . . 0.0 114.639 179.151 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -87.07 124.58 33.39 Favored 'General case' 0 N--CA 1.465 0.318 0 O-C-N 121.44 -0.787 . . . . 0.0 111.879 -157.966 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 29.0 tptp -51.12 130.46 26.17 Favored 'General case' 0 N--CA 1.468 0.459 0 C-N-CA 126.483 1.913 . . . . 0.0 113.441 -172.033 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 41.0 t -73.68 136.61 43.8 Favored 'General case' 0 CA--C 1.535 0.377 0 N-CA-C 110.276 -0.268 . . . . 0.0 110.276 163.184 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 1.7 t -52.7 -48.39 66.61 Favored 'General case' 0 CA--C 1.542 0.646 0 C-N-CA 125.499 1.52 . . . . 0.0 114.195 -173.168 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -132.76 -1.46 3.39 Favored 'General case' 0 CA--C 1.552 1.054 0 N-CA-C 114.278 1.214 . . . . 0.0 114.278 -177.005 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 117.52 -9.11 14.98 Favored Glycine 0 CA--C 1.545 1.962 0 C-N-CA 125.831 1.682 . . . . 0.0 117.154 174.546 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -74.08 -163.42 0.18 Allowed 'General case' 0 CA--C 1.551 0.981 0 C-N-CA 126.491 1.916 . . . . 0.0 115.27 -176.278 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 39.9 t -72.77 106.84 3.08 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.847 0 C-N-CA 125.472 1.509 . . . . 0.0 113.187 -162.504 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 42.5 t -96.22 90.94 5.66 Favored 'General case' 0 CA--C 1.539 0.526 0 C-N-CA 125.739 1.616 . . . . 0.0 111.725 -167.446 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 1.5 mpt_? -145.02 78.5 1.56 Allowed 'General case' 0 N--CA 1.483 1.184 0 C-N-CA 124.796 1.238 . . . . 0.0 112.75 -178.679 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 20.5 mt 68.74 -7.79 0.7 Allowed 'General case' 0 N--CA 1.482 1.141 0 C-N-CA 126.579 1.952 . . . . 0.0 114.657 -168.993 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 26' ' ' TRP . . . . . 0.544 ' CG ' ' HE2' ' A' ' 28' ' ' LYS . 2.2 p-90 -156.49 178.32 10.45 Favored 'General case' 0 CA--C 1.539 0.527 0 C-N-CA 129.248 3.019 . . . . 0.0 110.612 176.985 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -139.2 69.29 1.37 Allowed 'General case' 0 CA--C 1.546 0.798 0 CA-C-N 120.042 1.292 . . . . 0.0 113.651 175.603 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 28' ' ' LYS . . . . . 0.544 ' HE2' ' CG ' ' A' ' 26' ' ' TRP . 1.5 mptp? -71.98 145.04 48.64 Favored 'General case' 0 N--CA 1.478 0.928 0 C-N-CA 125.897 1.679 . . . . 0.0 113.245 -178.446 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 36.9 tttm -68.92 119.76 13.75 Favored 'General case' 0 N--CA 1.478 0.928 0 C-N-CA 123.692 0.797 . . . . 0.0 110.87 177.645 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 60.1 tttm -160.14 80.95 0.69 Allowed 'General case' 0 N--CA 1.471 0.596 0 C-N-CA 125.059 1.344 . . . . 0.0 110.465 -173.85 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 7.5 tt -154.03 142.98 21.13 Favored 'General case' 0 N--CA 1.47 0.529 0 C-N-CA 127.186 2.194 . . . . 0.0 108.027 -179.109 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--O 1.205 -1.258 0 CA-C-N 118.515 0.598 . . . . 0.0 111.577 -174.611 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.473 1.115 0 CA-C-O 118.854 -0.97 . . . . 0.0 111.266 . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 96.7 Cg_endo -77.7 75.34 4.79 Favored 'Trans proline' 0 CA--C 1.54 0.78 0 C-N-CA 124.417 3.411 . . . . 0.0 112.215 -172.557 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 3' ' ' TYR . . . . . . . . . . . . 0.277 74.6 m-85 -91.78 62.58 4.42 Favored 'General case' 0 C--O 1.236 0.377 0 N-CA-C 114.144 1.164 . . . . 0.0 114.144 -178.049 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 1.1 p -141.63 -28.6 0.64 Allowed 'General case' 0 CA--C 1.545 0.757 0 N-CA-C 115.075 1.509 . . . . 0.0 115.075 -161.99 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -90.07 -45.89 8.85 Favored 'General case' 0 N--CA 1.47 0.56 0 CA-C-N 119.77 1.168 . . . . 0.0 110.668 166.529 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 8.3 ttmt -64.97 -13.08 56.6 Favored 'General case' 0 N--CA 1.475 0.792 0 O-C-N 121.05 -1.031 . . . . 0.0 112.635 171.147 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 7' ' ' TRP . . . . . . . . . . . . . 8.1 m95 -135.6 31.31 3.11 Favored 'General case' 0 CA--C 1.542 0.657 0 C-N-CA 127.796 2.438 . . . . 0.0 114.528 -173.086 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 75.8 mtm 45.23 61.67 2.46 Favored 'General case' 0 CA--C 1.549 0.907 0 N-CA-C 116.924 2.194 . . . . 0.0 116.924 159.145 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 2.8 pt20 -66.5 25.25 0.02 OUTLIER 'General case' 0 CA--C 1.552 1.053 0 N-CA-C 119.577 3.177 . . . . 0.0 119.577 -170.804 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 6.8 m 57.96 55.11 5.52 Favored 'General case' 0 N--CA 1.486 1.357 0 CA-C-N 121.607 2.003 . . . . 0.0 113.533 170.787 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 1.3 t -84.44 80.92 9.06 Favored 'General case' 0 CA--C 1.545 0.786 0 N-CA-C 113.875 1.065 . . . . 0.0 113.875 -160.578 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 43.6 m-20 -71.24 179.21 2.96 Favored 'General case' 0 CA--C 1.555 1.141 0 C-N-CA 126.475 1.91 . . . . 0.0 115.463 166.983 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 44.5 t -54.7 -42.64 71.7 Favored 'General case' 0 N--CA 1.484 1.271 0 O-C-N 120.468 -1.395 . . . . 0.0 113.381 173.43 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 37.1 tt0 -67.84 -27.64 66.88 Favored 'General case' 0 N--CA 1.473 0.682 0 C-N-CA 124.779 1.232 . . . . 0.0 114.016 176.548 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -80.08 127.25 32.08 Favored 'General case' 0 N--CA 1.468 0.441 0 O-C-N 120.809 -1.182 . . . . 0.0 111.07 -165.447 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 16.1 mmtp -61.7 125.2 22.99 Favored 'General case' 0 N--CA 1.471 0.608 0 O-C-N 121.523 -0.735 . . . . 0.0 109.815 169.587 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 49.3 t -63.49 145.26 56.01 Favored 'General case' 0 CA--C 1.54 0.566 0 CA-C-N 118.8 0.727 . . . . 0.0 110.81 168.546 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 28.1 t -71.01 -36.99 72.64 Favored 'General case' 0 CA--C 1.542 0.673 0 C-N-CA 124.852 1.261 . . . . 0.0 113.843 -175.15 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 11.6 mt-10 -140.52 13.0 2.34 Favored 'General case' 0 N--CA 1.476 0.868 0 N-CA-C 114.471 1.286 . . . . 0.0 114.471 -164.026 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 72.3 56.08 6.49 Favored Glycine 0 CA--C 1.536 1.344 0 O-C-N 120.549 -1.344 . . . . 0.0 112.576 -175.638 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 25.4 mmt -139.07 -175.79 4.28 Favored 'General case' 0 N--CA 1.471 0.578 0 C-N-CA 126.086 1.754 . . . . 0.0 111.175 -165.54 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 47.9 t -67.81 107.4 1.13 Allowed 'Isoleucine or valine' 0 N--CA 1.478 0.929 0 CA-C-N 118.91 0.777 . . . . 0.0 111.235 179.081 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 42.3 t -86.16 93.45 9.03 Favored 'General case' 0 CA--C 1.536 0.437 0 C-N-CA 124.639 1.176 . . . . 0.0 110.087 174.64 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 24' ' ' ARG . . . . . 0.422 ' C ' ' H ' ' A' ' 26' ' ' TRP . 3.9 mpt_? -152.66 106.44 3.08 Favored 'General case' 0 N--CA 1.477 0.875 0 C-N-CA 126.186 1.794 . . . . 0.0 110.787 173.329 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 11.8 mt 61.22 -18.53 0.03 OUTLIER 'General case' 0 N--CA 1.484 1.274 0 N-CA-C 116.281 1.956 . . . . 0.0 116.281 -171.38 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 26' ' ' TRP . . . . . 0.422 ' H ' ' C ' ' A' ' 24' ' ' ARG . 1.6 p-90 -158.23 -177.62 6.68 Favored 'General case' 0 C--N 1.324 -0.517 0 C-N-CA 130.181 3.392 . . . . 0.0 109.321 -179.134 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 1.6 m -111.51 145.5 38.96 Favored 'General case' 0 CA--C 1.532 0.256 0 N-CA-C 108.408 -0.96 . . . . 0.0 108.408 146.589 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 67.9 mmtt -139.21 131.75 28.72 Favored 'General case' 0 N--CA 1.474 0.732 0 C-N-CA 125.518 1.527 . . . . 0.0 108.841 -179.853 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 80.1 mttt -51.93 126.45 18.27 Favored 'General case' 0 N--CA 1.477 0.918 0 CA-C-N 118.408 0.549 . . . . 0.0 112.126 -175.951 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 66.3 tttt -154.75 64.12 0.66 Allowed 'General case' 0 N--CA 1.469 0.512 0 C-N-CA 127.084 2.154 . . . . 0.0 108.946 177.675 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 1.2 mt -158.88 156.35 29.43 Favored 'General case' 0 C--N 1.326 -0.446 0 C-N-CA 125.643 1.577 . . . . 0.0 109.453 174.8 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 5.6 mp . . . . . 0 C--O 1.204 -1.334 0 N-CA-C 107.125 -1.435 . . . . 0.0 107.125 -175.049 . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.471 0.967 0 CA-C-O 118.465 -1.186 . . . . 0.0 110.864 . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 71.7 Cg_endo -77.98 -26.73 6.33 Favored 'Trans proline' 0 CA--C 1.541 0.844 0 C-N-CA 122.509 2.139 . . . . 0.0 114.462 -173.178 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 3' ' ' TYR . . . . . . . . . . . . 0.41 53.0 m-85 51.33 45.82 27.38 Favored 'General case' 0 CA--C 1.539 0.553 0 N-CA-C 119.124 3.009 . . . . 0.0 119.124 166.145 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 4.4 p -135.85 -9.34 2.09 Favored 'General case' 0 CA--C 1.543 0.691 0 N-CA-C 116.217 1.932 . . . . 0.0 116.217 -166.871 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -108.47 -46.92 3.6 Favored 'General case' 0 N--CA 1.469 0.497 0 C-N-CA 125.653 1.581 . . . . 0.0 110.693 178.429 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 4.9 ttmm -85.59 0.73 51.69 Favored 'General case' 0 CA--C 1.536 0.42 0 C-N-CA 124.979 1.312 . . . . 0.0 113.015 173.576 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 7' ' ' TRP . . . . . . . . . . . . . 52.1 t-105 -152.31 145.22 24.43 Favored 'General case' 0 CA--C 1.537 0.468 0 C-N-CA 125.999 1.72 . . . . 0.0 108.688 -175.746 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 27.3 mtt -83.61 94.75 8.16 Favored 'General case' 0 N--CA 1.471 0.617 0 N-CA-C 113.493 0.923 . . . . 0.0 113.493 -160.464 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 2.3 pt20 -71.77 -5.19 32.31 Favored 'General case' 0 CA--C 1.545 0.75 0 N-CA-C 117.704 2.483 . . . . 0.0 117.704 -172.977 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 8.7 m 55.15 79.22 0.16 Allowed 'General case' 0 N--CA 1.482 1.145 0 CA-C-N 121.547 1.976 . . . . 0.0 112.379 -167.687 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 3.4 t -81.29 67.73 7.33 Favored 'General case' 0 CA--C 1.547 0.831 0 C-N-CA 124.034 0.934 . . . . 0.0 113.447 -173.502 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -55.13 151.0 9.84 Favored 'General case' 0 CA--C 1.539 0.526 0 C-N-CA 123.605 0.762 . . . . 0.0 112.063 159.366 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 60.0 p -64.11 -4.26 3.4 Favored 'General case' 0 N--CA 1.482 1.167 0 N-CA-C 116.13 1.9 . . . . 0.0 116.13 179.188 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 12.5 pt-20 -91.86 -9.82 41.93 Favored 'General case' 0 CA--C 1.544 0.739 0 C-N-CA 124.995 1.318 . . . . 0.0 114.194 169.731 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 14.5 ttt180 -94.9 142.23 27.71 Favored 'General case' 0 N--CA 1.472 0.665 0 CA-C-N 119.533 1.06 . . . . 0.0 112.83 -173.125 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 10.3 ptpt -48.71 97.91 0.01 OUTLIER 'General case' 0 N--CA 1.475 0.783 0 C-N-CA 126.686 1.995 . . . . 0.0 113.22 162.96 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 37.4 t -66.56 120.86 14.13 Favored 'General case' 0 CA--C 1.534 0.35 0 O-C-N 120.93 -1.106 . . . . 0.0 109.557 176.081 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 6.0 t -50.07 -48.96 52.81 Favored 'General case' 0 CA--C 1.538 0.491 0 N-CA-C 115.793 1.775 . . . . 0.0 115.793 -157.183 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 27.8 mm-40 -116.66 16.89 15.39 Favored 'General case' 0 CA--C 1.546 0.821 0 C-N-CA 125.887 1.675 . . . . 0.0 111.276 175.391 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 73.48 12.49 80.21 Favored Glycine 0 CA--C 1.534 1.241 0 N-CA-C 116.286 1.274 . . . . 0.0 116.286 -179.828 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 20.7 ptp -124.61 119.3 28.63 Favored 'General case' 0 CA--C 1.538 0.516 0 CA-C-N 119.144 1.472 . . . . 0.0 114.796 -171.069 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . 0.314 8.1 t 53.99 65.2 0.18 Allowed 'Isoleucine or valine' 0 N--CA 1.479 1.014 0 C-N-CA 127.344 2.258 . . . . 0.0 114.238 168.896 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 42.0 t -65.85 85.01 0.08 Allowed 'General case' 0 CA--C 1.538 0.487 0 C-N-CA 127.584 2.354 . . . . 0.0 111.305 175.092 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 1.5 mpt_? -135.61 87.25 2.3 Favored 'General case' 0 N--CA 1.476 0.873 0 C-N-CA 126.436 1.894 . . . . 0.0 110.212 175.939 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 23.7 mt 61.26 -18.21 0.04 OUTLIER 'General case' 0 CA--C 1.546 0.817 0 C-N-CA 127.985 2.514 . . . . 0.0 115.198 -166.017 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 26' ' ' TRP . . . . . . . . . . . . . 5.1 p-90 -156.4 -174.62 5.03 Favored 'General case' 0 CA--C 1.54 0.593 0 C-N-CA 127.645 2.378 . . . . 0.0 111.016 173.343 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 94.9 m -133.44 68.58 1.49 Allowed 'General case' 0 CA--C 1.546 0.806 0 C-N-CA 124.925 1.29 . . . . 0.0 110.84 174.174 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 13.0 tmtt? -63.39 -56.53 15.53 Favored 'General case' 0 N--CA 1.482 1.166 0 C-N-CA 126.189 1.796 . . . . 0.0 114.631 -165.97 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 9.5 mtpt 171.87 136.42 0.03 OUTLIER 'General case' 0 N--CA 1.476 0.845 0 C-N-CA 129.074 2.95 . . . . 0.0 108.036 171.092 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -161.9 34.28 0.12 Allowed 'General case' 0 N--CA 1.481 1.09 0 C-N-CA 124.674 1.19 . . . . 0.0 112.343 172.528 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 48.3 tp -144.99 125.09 13.62 Favored 'General case' 0 N--CA 1.466 0.334 0 O-C-N 120.88 -1.137 . . . . 0.0 111.552 175.728 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 91.2 mt . . . . . 0 C--O 1.212 -0.878 0 C-N-CA 124.887 1.275 . . . . 0.0 109.224 -169.726 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 3' ' ' TYR . . . . . . . . . . . . 0.328 2.5 p90 . . . . . 0 N--CA 1.465 0.286 0 N-CA-C 115.352 1.612 . . . . 0.0 115.352 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 2.7 p -154.17 -71.79 0.13 Allowed 'General case' 0 CA--C 1.537 0.474 0 C-N-CA 123.368 0.667 . . . . 0.0 112.489 -171.325 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -61.52 -60.47 3.66 Favored 'General case' 0 N--CA 1.472 0.658 0 CA-C-N 118.801 0.728 . . . . 0.0 111.099 179.945 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 21.1 ttpp -78.87 36.21 0.27 Allowed 'General case' 0 N--CA 1.479 0.998 0 O-C-N 120.979 -1.076 . . . . 0.0 113.579 170.019 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 7' ' ' TRP . . . . . . . . . . . . . 11.9 t90 -144.62 10.51 1.41 Allowed 'General case' 0 CA--C 1.547 0.859 0 C-N-CA 125.445 1.498 . . . . 0.0 111.248 165.526 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 8' ' ' MET . . . . . . . . . . . . 0.253 38.0 mtm 59.29 57.52 3.37 Favored 'General case' 0 CA--C 1.539 0.52 0 C-N-CA 125.783 1.633 . . . . 0.0 114.19 171.641 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 4.9 pt20 -59.46 45.68 0.0 OUTLIER 'General case' 0 CA--C 1.555 1.146 0 C-N-CA 129.722 3.209 . . . . 0.0 119.262 -175.746 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 4.2 m 44.77 58.88 3.67 Favored 'General case' 0 N--CA 1.487 1.395 0 N-CA-C 115.174 1.546 . . . . 0.0 115.174 152.858 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 7.1 t -82.11 140.27 33.92 Favored 'General case' 0 CA--C 1.543 0.704 0 N-CA-C 115.125 1.528 . . . . 0.0 115.125 -158.363 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 62.3 m-20 -138.63 168.72 19.17 Favored 'General case' 0 CA--C 1.55 0.975 0 C-N-CA 129.93 3.292 . . . . 0.0 107.796 -175.577 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 44.0 t -69.92 13.0 0.16 Allowed 'General case' 0 N--CA 1.491 1.605 0 O-C-N 120.107 -1.621 . . . . 0.0 114.427 174.752 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 14.7 pt-20 -131.28 1.28 4.17 Favored 'General case' 0 CA--C 1.539 0.546 0 C-N-CA 127.57 2.348 . . . . 0.0 111.955 -179.142 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -93.25 133.9 35.99 Favored 'General case' 0 C--N 1.344 0.368 0 CA-C-O 122.389 1.09 . . . . 0.0 110.812 -171.565 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 12.2 mptt -75.44 63.91 1.52 Allowed 'General case' 0 CA--C 1.542 0.635 0 C-N-CA 127.887 2.475 . . . . 0.0 111.233 -178.279 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 42.5 t -61.67 107.26 0.79 Allowed 'General case' 0 CA--C 1.534 0.343 0 C-N-CA 126.608 1.963 . . . . 0.0 110.05 -172.073 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 59.0 m -66.89 -15.2 63.49 Favored 'General case' 0 CA--C 1.539 0.541 0 N-CA-C 114.352 1.242 . . . . 0.0 114.352 -161.506 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 70.9 mm-40 -130.03 4.1 4.87 Favored 'General case' 0 CA--C 1.544 0.722 0 N-CA-C 114.115 1.154 . . . . 0.0 114.115 177.371 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 64.76 13.44 56.29 Favored Glycine 0 CA--C 1.539 1.546 0 N-CA-C 116.533 1.373 . . . . 0.0 116.533 178.538 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 14.3 ptp -109.6 124.68 51.56 Favored 'General case' 0 N--CA 1.469 0.496 0 C-N-CA 125.956 1.702 . . . . 0.0 112.561 -170.01 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 2.9 t 49.65 70.69 0.11 Allowed 'Isoleucine or valine' 0 N--CA 1.471 0.621 0 C-N-CA 125.895 1.678 . . . . 0.0 114.71 173.832 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 35.2 t -72.93 58.11 0.46 Allowed 'General case' 0 CA--C 1.548 0.899 0 C-N-CA 124.241 1.016 . . . . 0.0 111.998 172.772 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 5.7 mpt_? -125.15 109.74 13.25 Favored 'General case' 0 N--CA 1.47 0.547 0 C-N-CA 126.446 1.899 . . . . 0.0 109.281 174.247 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 4.7 mp 57.81 -19.32 0.02 OUTLIER 'General case' 0 N--CA 1.478 0.949 0 C-N-CA 127.911 2.484 . . . . 0.0 116.724 -172.224 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 26' ' ' TRP . . . . . . . . . . . . . 0.1 OUTLIER -159.82 -159.81 0.76 Allowed 'General case' 0 CA--C 1.544 0.727 0 C-N-CA 128.846 2.858 . . . . 0.0 110.359 -177.86 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 96.5 m -131.51 123.98 29.16 Favored 'General case' 0 N--CA 1.469 0.522 0 C-N-CA 124.362 1.065 . . . . 0.0 109.098 161.116 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 8.0 mmmm -151.67 155.87 39.23 Favored 'General case' 0 N--CA 1.48 1.063 0 C-N-CA 127.551 2.34 . . . . 0.0 109.277 -170.123 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 25.2 ttpt -79.42 135.75 36.77 Favored 'General case' 0 N--CA 1.479 1.018 0 O-C-N 120.174 -1.578 . . . . 0.0 112.827 -176.892 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 16.7 ttmm -146.78 96.32 2.73 Favored 'General case' 0 N--CA 1.48 1.068 0 C-N-CA 126.719 2.007 . . . . 0.0 108.507 165.057 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 5.8 tt . . . . . 0 N--CA 1.472 0.659 0 C-N-CA 124.465 1.106 . . . . 0.0 112.933 -167.455 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 47.3 m-85 . . . . . 0 CA--C 1.537 0.444 0 N-CA-C 116.406 2.002 . . . . 0.0 116.406 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 1.2 p -153.78 -22.01 0.14 Allowed 'General case' 0 CA--C 1.546 0.802 0 N-CA-C 116.17 1.915 . . . . 0.0 116.17 -175.267 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -93.6 -34.68 13.22 Favored 'General case' 0 CA--C 1.537 0.468 0 C-N-CA 125.3 1.44 . . . . 0.0 110.379 164.674 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 43.6 tttm -82.8 -3.31 56.51 Favored 'General case' 0 CA--C 1.546 0.794 0 C-N-CA 124.754 1.222 . . . . 0.0 113.671 175.057 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 7' ' ' TRP . . . . . . . . . . . . . 41.8 t-105 -155.57 149.12 25.05 Favored 'General case' 0 N--CA 1.474 0.746 0 C-N-CA 126.209 1.804 . . . . 0.0 110.197 -163.724 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 33.4 mtp -71.97 88.14 1.05 Allowed 'General case' 0 N--CA 1.474 0.774 0 N-CA-C 113.587 0.958 . . . . 0.0 113.587 -178.515 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 7.7 pt20 -70.77 -4.57 24.58 Favored 'General case' 0 N--CA 1.474 0.753 0 N-CA-C 115.558 1.688 . . . . 0.0 115.558 179.735 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 2.9 m 50.46 66.88 1.03 Allowed 'General case' 0 N--CA 1.477 0.879 0 C-N-CA 125.253 1.421 . . . . 0.0 111.406 -166.1 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 2.0 t -69.75 81.6 0.44 Allowed 'General case' 0 CA--C 1.541 0.612 0 C-N-CA 124.96 1.304 . . . . 0.0 111.502 -178.959 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 14.2 m-20 -70.28 145.56 51.2 Favored 'General case' 0 CA--C 1.536 0.441 0 C-N-CA 125.629 1.572 . . . . 0.0 113.878 157.02 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 21.2 t -72.93 19.17 0.09 Allowed 'General case' 0 N--CA 1.482 1.141 0 N-CA-C 115.857 1.799 . . . . 0.0 115.857 -172.118 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 15.9 pt-20 -105.34 -6.58 19.49 Favored 'General case' 0 N--CA 1.475 0.781 0 C-N-CA 125.986 1.714 . . . . 0.0 112.633 164.564 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 8.3 ttt180 -95.74 152.12 18.76 Favored 'General case' 0 N--CA 1.466 0.343 0 C-N-CA 125.09 1.356 . . . . 0.0 112.863 -165.835 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 4.8 ptpp? -64.23 93.01 0.09 Allowed 'General case' 0 CA--C 1.538 0.485 0 C-N-CA 125.194 1.397 . . . . 0.0 110.879 158.519 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 10.5 t -56.93 135.16 56.04 Favored 'General case' 0 CA--C 1.532 0.262 0 C-N-CA 124.007 0.923 . . . . 0.0 109.634 163.64 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 0.9 OUTLIER -50.52 -49.29 56.09 Favored 'General case' 0 CA--C 1.54 0.567 0 N-CA-C 115.78 1.77 . . . . 0.0 115.78 -164.882 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 15.1 mm-40 -107.48 -10.6 15.68 Favored 'General case' 0 N--CA 1.479 0.977 0 C-N-CA 123.61 0.764 . . . . 0.0 112.803 177.061 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 95.04 20.29 28.56 Favored Glycine 0 CA--C 1.535 1.341 0 C-N-CA 125.213 1.387 . . . . 0.0 116.041 -174.932 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -76.75 179.87 5.8 Favored 'General case' 0 CA--C 1.547 0.855 0 CA-C-N 119.005 1.403 . . . . 0.0 113.01 168.214 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -65.93 114.78 3.36 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.76 0 CA-C-O 122.351 1.072 . . . . 0.0 109.275 -179.094 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 41.8 t -76.21 117.88 18.36 Favored 'General case' 0 CA--C 1.544 0.729 0 C-N-CA 127.314 2.245 . . . . 0.0 111.832 -175.572 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 2.6 mpt_? -147.15 82.64 1.55 Allowed 'General case' 0 N--CA 1.489 1.478 0 C-N-CA 125.03 1.332 . . . . 0.0 112.063 174.792 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 78.8 mt 59.71 -14.11 0.03 OUTLIER 'General case' 0 N--CA 1.484 1.264 0 C-N-CA 126.723 2.009 . . . . 0.0 115.76 -172.297 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 26' ' ' TRP . . . . . . . . . . . . . 1.8 p-90 -151.31 175.9 11.77 Favored 'General case' 0 C--N 1.322 -0.619 0 C-N-CA 127.959 2.504 . . . . 0.0 110.226 170.875 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 29.5 m -120.98 42.42 3.05 Favored 'General case' 0 CA--C 1.541 0.599 0 C-N-CA 124.217 1.007 . . . . 0.0 110.308 160.817 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 62.2 tttm -44.1 -57.99 3.09 Favored 'General case' 0 N--CA 1.473 0.705 0 C-N-CA 129.967 3.307 . . . . 0.0 113.322 -168.526 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 4.6 ttmm -166.77 149.96 6.76 Favored 'General case' 0 N--CA 1.474 0.74 0 C-N-CA 125.063 1.345 . . . . 0.0 109.861 139.078 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 2.4 tmtp? -158.31 69.99 0.53 Allowed 'General case' 0 N--CA 1.479 1.007 0 C-N-CA 124.6 1.16 . . . . 0.0 110.504 166.951 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 3.3 tm? . . . . . 0 N--CA 1.466 0.358 0 C-N-CA 124.334 1.053 . . . . 0.0 109.198 171.05 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 96.9 m-85 . . . . . 0 CA--C 1.537 0.46 0 N-CA-C 110.402 -0.222 . . . . 0.0 110.402 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 4' ' ' CYS . . . . . . . . . . . . 0.257 0.7 OUTLIER -124.3 -64.06 1.15 Allowed 'General case' 0 CA--C 1.539 0.524 0 N-CA-C 113.132 0.79 . . . . 0.0 113.132 175.001 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -59.56 -54.03 51.25 Favored 'General case' 0 N--CA 1.47 0.553 0 C-N-CA 123.765 0.826 . . . . 0.0 111.433 175.267 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 29.2 tttm -72.23 7.94 1.53 Allowed 'General case' 0 N--CA 1.472 0.649 0 C-N-CA 125.359 1.464 . . . . 0.0 113.931 178.061 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 7' ' ' TRP . . . . . . . . . . . . . 60.9 t-105 -126.13 -4.21 6.85 Favored 'General case' 0 N--CA 1.469 0.517 0 C-N-CA 125.658 1.583 . . . . 0.0 113.313 -171.655 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 59.3 mtm 57.25 56.59 5.04 Favored 'General case' 0 N--CA 1.473 0.685 0 O-C-N 121.507 -0.746 . . . . 0.0 112.462 -174.123 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 6.3 pt20 -58.63 33.85 0.01 OUTLIER 'General case' 0 CA--C 1.553 1.062 0 C-N-CA 129.459 3.104 . . . . 0.0 118.291 -177.393 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER 52.21 54.39 10.84 Favored 'General case' 0 N--CA 1.475 0.814 0 C-N-CA 125.176 1.39 . . . . 0.0 111.947 170.957 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -75.82 68.48 2.37 Favored 'General case' 0 CA--C 1.543 0.698 0 C-N-CA 126.642 1.977 . . . . 0.0 113.089 -160.903 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 21.5 m-20 -65.02 176.96 1.08 Allowed 'General case' 0 CA--C 1.544 0.723 0 C-N-CA 128.724 2.809 . . . . 0.0 117.285 173.86 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 37.1 t -60.09 -29.11 68.36 Favored 'General case' 0 N--CA 1.478 0.942 0 N-CA-C 114.51 1.3 . . . . 0.0 114.51 -177.901 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 6.9 tp10 -78.82 -26.33 44.22 Favored 'General case' 0 CA--C 1.542 0.642 0 CA-C-N 120.407 1.458 . . . . 0.0 112.536 173.519 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -85.56 107.98 17.74 Favored 'General case' 0 N--CA 1.463 0.207 0 CA-C-O 121.617 0.722 . . . . 0.0 112.003 -136.12 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 18.0 ptmt -40.43 100.87 0.02 OUTLIER 'General case' 0 N--CA 1.471 0.612 0 C-N-CA 127.808 2.443 . . . . 0.0 113.617 172.245 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 28.2 t -72.05 130.62 41.35 Favored 'General case' 0 CA--C 1.534 0.358 0 O-C-N 121.371 -0.831 . . . . 0.0 110.59 173.66 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -36.06 -51.03 0.73 Allowed 'General case' 0 CA--C 1.545 0.776 0 C-N-CA 128.777 2.831 . . . . 0.0 113.596 176.883 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 3.1 mm-40 -113.36 -1.5 14.21 Favored 'General case' 0 N--CA 1.474 0.77 0 C-N-CA 125.502 1.521 . . . . 0.0 113.054 -178.377 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 71.4 23.2 78.33 Favored Glycine 0 CA--C 1.535 1.334 0 O-C-N 120.497 -1.377 . . . . 0.0 115.997 -174.459 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 30.6 mmt -70.31 -177.13 1.35 Allowed 'General case' 0 N--CA 1.475 0.802 0 CA-C-N 119.387 1.594 . . . . 0.0 111.082 171.067 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 65.3 t -52.45 114.12 0.43 Allowed 'Isoleucine or valine' 0 N--CA 1.472 0.645 0 C-N-CA 125.144 1.377 . . . . 0.0 110.526 170.099 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 40.7 t -109.83 110.96 22.11 Favored 'General case' 0 C--O 1.237 0.396 0 C-N-CA 125.604 1.561 . . . . 0.0 109.357 -176.574 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 2.0 mpt_? -156.31 95.21 1.57 Allowed 'General case' 0 N--CA 1.481 1.085 0 C-N-CA 127.268 2.227 . . . . 0.0 109.411 171.996 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 18.9 mt 66.6 -32.66 0.18 Allowed 'General case' 0 N--CA 1.486 1.355 0 C-N-CA 126.832 2.053 . . . . 0.0 114.827 -171.656 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 26' ' ' TRP . . . . . . . . . . . . . 10.0 p-90 -140.02 174.42 10.53 Favored 'General case' 0 CA--C 1.538 0.506 0 C-N-CA 127.594 2.358 . . . . 0.0 111.769 170.827 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 8.9 t -153.23 80.0 1.18 Allowed 'General case' 0 CA--C 1.545 0.786 0 C-N-CA 123.793 0.837 . . . . 0.0 111.397 -178.191 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 1.2 mptm? -80.17 -84.62 0.09 Allowed 'General case' 0 N--CA 1.481 1.111 0 C-N-CA 124.38 1.072 . . . . 0.0 113.759 -171.705 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -162.45 137.04 6.7 Favored 'General case' 0 N--CA 1.472 0.666 0 C-N-CA 125.034 1.333 . . . . 0.0 109.941 177.831 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 4.6 tptt -163.85 44.47 0.11 Allowed 'General case' 0 N--CA 1.472 0.666 0 C-N-CA 124.644 1.178 . . . . 0.0 111.978 -179.564 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 24.8 tp . . . . . 0 N--CA 1.47 0.57 0 C-N-CA 124.384 1.074 . . . . 0.0 111.29 178.427 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 3' ' ' TYR . . . . . . . . . . . . 0.407 0.9 OUTLIER . . . . . 0 N--CA 1.463 0.179 0 N-CA-C 115.02 1.489 . . . . 0.0 115.02 . . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -130.13 -58.87 1.06 Allowed 'General case' 0 CA--C 1.535 0.385 0 N-CA-C 113.526 0.935 . . . . 0.0 113.526 -170.882 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -64.26 -24.08 67.53 Favored 'General case' 0 CA--C 1.546 0.812 0 C-N-CA 125.503 1.521 . . . . 0.0 112.2 165.698 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 13.4 mmtt -77.96 -14.55 59.49 Favored 'General case' 0 CA--C 1.538 0.518 0 C-N-CA 127.465 2.306 . . . . 0.0 115.855 168.346 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 7' ' ' TRP . . . . . . . . . . . . . 26.7 t-105 -155.37 35.57 0.37 Allowed 'General case' 0 N--CA 1.477 0.91 0 CA-C-N 120.523 1.51 . . . . 0.0 114.992 -164.228 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 76.2 mtm 48.03 57.28 6.24 Favored 'General case' 0 CA--C 1.545 0.781 0 N-CA-C 115.048 1.499 . . . . 0.0 115.048 168.573 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 14.8 pt20 -60.04 8.22 0.02 OUTLIER 'General case' 0 N--CA 1.48 1.028 0 N-CA-C 118.971 2.952 . . . . 0.0 118.971 -161.352 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 9.8 m 56.36 74.22 0.41 Allowed 'General case' 0 N--CA 1.473 0.713 0 CA-C-N 120.172 1.351 . . . . 0.0 111.15 -161.528 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -76.16 72.33 2.95 Favored 'General case' 0 CA--C 1.538 0.499 0 O-C-N 121.303 -0.873 . . . . 0.0 111.644 172.426 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 72.3 m-20 -58.19 162.44 3.52 Favored 'General case' 0 CA--C 1.54 0.59 0 CA-C-N 114.968 -1.015 . . . . 0.0 110.892 153.264 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 5.4 t -56.59 -33.0 65.77 Favored 'General case' 0 N--CA 1.477 0.881 0 O-C-N 120.868 -1.145 . . . . 0.0 113.826 173.524 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 92.1 mt-10 -79.55 -4.78 52.97 Favored 'General case' 0 CA--C 1.546 0.809 0 N-CA-C 113.952 1.093 . . . . 0.0 113.952 175.86 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -82.24 132.78 35.23 Favored 'General case' 0 N--CA 1.469 0.482 0 O-C-N 120.327 -1.483 . . . . 0.0 111.472 -177.183 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 22.3 mtpp -70.92 94.26 1.05 Allowed 'General case' 0 N--CA 1.467 0.419 0 C-N-CA 124.327 1.051 . . . . 0.0 110.997 166.583 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 52.9 t -61.34 126.34 26.99 Favored 'General case' 0 CA--C 1.534 0.351 0 C-N-CA 123.342 0.657 . . . . 0.0 110.418 179.939 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -40.15 -50.7 2.67 Favored 'General case' 0 N--CA 1.471 0.59 0 C-N-CA 126.238 1.815 . . . . 0.0 113.962 -169.621 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -127.46 15.13 7.13 Favored 'General case' 0 CA--C 1.553 1.072 0 C-N-CA 125.303 1.441 . . . . 0.0 112.007 175.79 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 70.04 -12.4 1.69 Allowed Glycine 0 CA--C 1.543 1.807 0 O-C-N 119.838 -1.788 . . . . 0.0 116.836 -170.39 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 21' ' ' MET . . . . . 0.473 ' SD ' ' HA ' ' A' ' 29' ' ' LYS . 8.3 ptp -67.46 107.82 2.59 Favored 'General case' 0 CA--C 1.544 0.719 0 O-C-N 120.549 -1.56 . . . . 0.0 114.363 178.197 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . 0.311 1.0 OUTLIER 68.62 48.0 0.11 Allowed 'Isoleucine or valine' 0 N--CA 1.479 1.025 0 N-CA-C 118.113 2.635 . . . . 0.0 118.113 171.156 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 49.9 t -69.18 84.78 0.36 Allowed 'General case' 0 N--CA 1.477 0.88 0 CA-C-N 120.422 1.464 . . . . 0.0 113.537 -179.579 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -145.04 87.69 1.84 Allowed 'General case' 0 N--CA 1.478 0.964 0 C-N-CA 126.668 1.987 . . . . 0.0 110.096 175.384 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 44.1 mt 62.72 -18.45 0.05 OUTLIER 'General case' 0 N--CA 1.482 1.152 0 C-N-CA 126.655 1.982 . . . . 0.0 115.465 -167.624 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 26' ' ' TRP . . . . . . . . . . . . . 3.4 p-90 -151.28 -166.55 2.56 Favored 'General case' 0 C--N 1.326 -0.452 0 C-N-CA 126.294 1.838 . . . . 0.0 110.975 172.821 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 94.7 m -142.0 136.77 30.61 Favored 'General case' 0 CA--C 1.539 0.532 0 C-N-CA 125.547 1.539 . . . . 0.0 108.378 173.667 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 3.6 tmtm? -120.16 -97.14 0.46 Allowed 'General case' 0 N--CA 1.482 1.164 0 C-N-CA 124.086 0.954 . . . . 0.0 112.145 -168.731 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . 0.473 ' HA ' ' SD ' ' A' ' 21' ' ' MET . 39.9 tttm -164.64 131.55 3.06 Favored 'General case' 0 N--CA 1.477 0.917 0 C-N-CA 125.902 1.681 . . . . 0.0 109.724 176.588 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -155.26 32.45 0.38 Allowed 'General case' 0 N--CA 1.483 1.201 0 N-CA-C 116.662 2.097 . . . . 0.0 116.662 -166.896 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 4.2 mm? . . . . . 0 N--CA 1.467 0.402 0 C-N-CA 125.302 1.441 . . . . 0.0 109.613 166.396 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 3' ' ' TYR . . . . . . . . . . . . 0.388 71.3 m-85 . . . . . 0 N--CA 1.468 0.468 0 N-CA-C 117.653 2.464 . . . . 0.0 117.653 . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 0.9 OUTLIER -128.77 -54.39 1.23 Allowed 'General case' 0 CA--C 1.548 0.88 0 N-CA-C 116.168 1.914 . . . . 0.0 116.168 -162.835 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -63.1 -27.79 69.63 Favored 'General case' 0 N--CA 1.479 0.991 0 O-C-N 120.239 -1.538 . . . . 0.0 113.095 178.943 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 75.3 tttt -76.46 -18.59 58.7 Favored 'General case' 0 CA--C 1.542 0.67 0 C-N-CA 124.058 0.943 . . . . 0.0 113.42 173.576 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 7' ' ' TRP . . . . . . . . . . . . . 8.4 t-105 -152.05 52.42 0.8 Allowed 'General case' 0 CA--C 1.556 1.188 0 CA-C-N 119.643 1.11 . . . . 0.0 113.433 -144.354 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 62.3 mtt 50.56 45.51 26.59 Favored 'General case' 0 N--CA 1.49 1.571 0 N-CA-C 116.298 1.962 . . . . 0.0 116.298 161.093 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -70.72 24.96 0.04 OUTLIER 'General case' 0 CA--C 1.549 0.94 0 N-CA-C 119.927 3.306 . . . . 0.0 119.927 -160.164 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 16.4 m 44.55 57.13 4.63 Favored 'General case' 0 N--CA 1.48 1.049 0 C-N-CA 124.961 1.304 . . . . 0.0 113.474 174.195 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 5.2 t -75.86 80.61 2.77 Favored 'General case' 0 CA--C 1.54 0.575 0 C-N-CA 125.457 1.503 . . . . 0.0 112.341 -173.986 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 52.5 m-20 -66.63 166.1 13.52 Favored 'General case' 0 CA--C 1.543 0.689 0 N-CA-C 116.1 1.889 . . . . 0.0 116.1 164.469 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 26.8 t -59.16 -33.65 71.16 Favored 'General case' 0 N--CA 1.477 0.894 0 N-CA-C 115.232 1.567 . . . . 0.0 115.232 -177.816 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 25.4 mm-40 -74.45 -23.38 58.9 Favored 'General case' 0 N--CA 1.477 0.902 0 O-C-N 120.627 -1.296 . . . . 0.0 114.276 170.735 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -92.24 134.87 34.48 Favored 'General case' 0 N--CA 1.463 0.188 0 C-N-CA 123.789 0.835 . . . . 0.0 111.958 -149.669 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 20.6 ptmt -63.69 129.09 38.7 Favored 'General case' 0 N--CA 1.468 0.463 0 C-N-CA 123.725 0.81 . . . . 0.0 111.287 -177.946 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 48.0 t -95.52 124.93 39.79 Favored 'General case' 0 CA--C 1.533 0.323 0 C-N-CA 123.794 0.838 . . . . 0.0 109.811 178.141 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -48.38 -56.04 9.2 Favored 'General case' 0 CA--C 1.539 0.527 0 N-CA-C 114.919 1.452 . . . . 0.0 114.919 -156.368 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 1.7 mm-40 -111.47 27.72 9.41 Favored 'General case' 0 N--CA 1.478 0.927 0 C-N-CA 124.955 1.302 . . . . 0.0 110.592 174.262 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 61.68 31.01 76.43 Favored Glycine 0 CA--C 1.535 1.329 0 O-C-N 120.039 -1.663 . . . . 0.0 113.328 -170.692 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 19.0 mmt -80.64 -157.27 0.15 Allowed 'General case' 0 CA--C 1.547 0.844 0 C-N-CA 126.152 1.781 . . . . 0.0 113.231 -173.374 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 2.5 t -71.24 74.49 0.17 Allowed 'Isoleucine or valine' 0 CA--C 1.54 0.586 0 C-N-CA 126.443 1.897 . . . . 0.0 114.866 -176.489 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 41.9 t -66.05 91.37 0.15 Allowed 'General case' 0 CA--C 1.549 0.916 0 N-CA-C 114.184 1.179 . . . . 0.0 114.184 -176.689 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 2.6 mpt_? -148.9 87.07 1.53 Allowed 'General case' 0 N--CA 1.483 1.197 0 C-N-CA 126.889 2.076 . . . . 0.0 109.499 165.52 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 77.7 mt 59.97 -67.89 0.04 OUTLIER 'General case' 0 N--CA 1.479 1.011 0 C-N-CA 126.252 1.821 . . . . 0.0 112.896 -161.449 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 26' ' ' TRP . . . . . . . . . . . . . 0.5 OUTLIER -70.8 169.94 13.56 Favored 'General case' 0 CA--C 1.54 0.56 0 O-C-N 120.601 -1.312 . . . . 0.0 113.444 167.391 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 17.0 m -134.54 50.4 2.18 Favored 'General case' 0 N--CA 1.467 0.408 0 C-N-CA 126.635 1.974 . . . . 0.0 109.175 164.466 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 27.9 pttt -57.83 146.52 31.43 Favored 'General case' 0 N--CA 1.469 0.479 0 C-N-CA 125.72 1.608 . . . . 0.0 111.745 -179.54 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 40.9 mtpt -56.05 112.84 1.31 Allowed 'General case' 0 N--CA 1.469 0.494 0 C-N-CA 124.226 1.01 . . . . 0.0 112.279 177.076 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 10.1 tmtt? -154.47 82.78 1.11 Allowed 'General case' 0 N--CA 1.474 0.743 0 C-N-CA 125.439 1.496 . . . . 0.0 109.104 165.16 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 7.0 tt . . . . . 0 C--N 1.329 -0.283 0 C-N-CA 124.82 1.248 . . . . 0.0 109.862 175.495 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 3' ' ' TYR . . . . . . . . . . . . 0.458 45.6 m-85 . . . . . 0 N--CA 1.465 0.301 0 N-CA-C 118.103 2.631 . . . . 0.0 118.103 . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -128.16 -72.11 0.63 Allowed 'General case' 0 CA--C 1.536 0.423 0 C-N-CA 124.109 0.964 . . . . 0.0 111.717 179.471 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -54.43 -44.83 72.8 Favored 'General case' 0 N--CA 1.474 0.766 0 O-C-N 121.102 -0.999 . . . . 0.0 111.974 179.375 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 45.7 tttm -62.95 -16.14 58.27 Favored 'General case' 0 CA--C 1.544 0.714 0 N-CA-C 115.16 1.541 . . . . 0.0 115.16 -179.489 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 7' ' ' TRP . . . . . . . . . . . . . 17.1 t90 -141.31 9.2 2.06 Favored 'General case' 0 CA--C 1.547 0.852 0 N-CA-C 113.66 0.985 . . . . 0.0 113.66 -160.506 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 8' ' ' MET . . . . . . . . . . . . 0.276 86.7 mtp 67.14 -15.33 0.16 Allowed 'General case' 0 N--CA 1.481 1.087 0 N-CA-C 117.992 2.59 . . . . 0.0 117.992 167.395 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 9' ' ' GLN . . . . . 0.407 ' OE1' ' SG ' ' A' ' 17' ' ' CYS . 0.0 OUTLIER 57.17 -6.69 0.03 OUTLIER 'General case' 0 N--CA 1.486 1.36 1 N-CA-C 122.854 4.39 . . . . 0.0 122.854 132.739 . . . . . . . . 4 4 . 1 . 006 nuclear nobuild core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER 54.5 66.62 1.18 Allowed 'General case' 0 N--CA 1.478 0.927 0 CA-C-N 120.361 1.437 . . . . 0.0 111.596 -175.712 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 51.7 t -73.15 53.65 0.38 Allowed 'General case' 0 CA--C 1.55 0.973 0 O-C-N 119.916 -1.74 . . . . 0.0 114.289 -179.502 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 70.5 m-20 -56.36 165.74 1.01 Allowed 'General case' 0 CA--C 1.539 0.532 0 N-CA-C 115.611 1.708 . . . . 0.0 115.611 167.96 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 16.0 t -60.51 -13.78 15.85 Favored 'General case' 0 CA--C 1.542 0.67 0 C-N-CA 125.513 1.525 . . . . 0.0 114.219 -178.888 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 91.2 mt-10 -109.21 3.69 22.04 Favored 'General case' 0 N--CA 1.476 0.856 0 C-N-CA 125.822 1.649 . . . . 0.0 113.444 179.414 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 2.0 mmt85 -103.57 149.77 24.57 Favored 'General case' 0 N--CA 1.472 0.649 0 C-N-CA 126.571 1.949 . . . . 0.0 112.429 -175.528 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 10.4 pttm -60.14 163.53 4.8 Favored 'General case' 0 N--CA 1.474 0.755 0 CA-C-O 121.673 0.749 . . . . 0.0 110.186 160.541 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 17' ' ' CYS . . . . . 0.407 ' SG ' ' OE1' ' A' ' 9' ' ' GLN . 0.6 OUTLIER -139.69 29.91 2.11 Favored 'General case' 0 CA--C 1.543 0.693 0 N-CA-C 115.693 1.738 . . . . 0.0 115.693 175.125 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 1.8 m 60.23 -78.07 0.02 OUTLIER 'General case' 0 N--CA 1.469 0.516 0 C-N-CA 128.186 2.594 . . . . 0.0 113.65 -175.243 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -104.69 -175.12 2.7 Favored 'General case' 0 CA--C 1.551 1.002 0 C-N-CA 125.359 1.464 . . . . 0.0 111.854 177.571 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -80.55 1.64 81.59 Favored Glycine 0 CA--C 1.538 1.491 0 O-C-N 120.706 -1.246 . . . . 0.0 114.435 169.966 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 38.8 mmt -53.22 157.89 1.76 Allowed 'General case' 0 N--CA 1.466 0.366 0 C-N-CA 126.421 1.888 . . . . 0.0 113.863 178.506 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 30.1 t -45.95 119.85 0.53 Allowed 'Isoleucine or valine' 0 N--CA 1.471 0.617 0 C-N-CA 124.923 1.289 . . . . 0.0 112.026 -178.493 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 23' ' ' CYS . . . . . 0.415 ' HB2' ' SG ' ' A' ' 27' ' ' CYS . 43.9 t -106.09 109.21 21.08 Favored 'General case' 0 CA--C 1.538 0.498 0 C-N-CA 123.243 0.617 . . . . 0.0 111.687 171.596 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 1.8 mpt_? -140.44 108.25 5.67 Favored 'General case' 0 N--CA 1.471 0.621 0 C-N-CA 125.107 1.363 . . . . 0.0 108.845 157.805 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 3.9 mp 61.07 -38.57 0.1 Allowed 'General case' 0 N--CA 1.483 1.192 0 C-N-CA 127.478 2.311 . . . . 0.0 115.595 -161.688 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 26' ' ' TRP . . . . . . . . . . . . . 2.4 p-90 -115.68 -161.2 0.78 Allowed 'General case' 0 N--CA 1.471 0.619 0 C-N-CA 126.218 1.807 . . . . 0.0 113.752 -176.294 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 27' ' ' CYS . . . . . 0.415 ' SG ' ' HB2' ' A' ' 23' ' ' CYS . 1.4 m -135.53 134.93 39.97 Favored 'General case' 0 C--N 1.328 -0.363 0 O-C-N 118.798 -2.439 . . . . 0.0 107.863 141.965 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 67.2 mmtt -148.01 148.32 30.59 Favored 'General case' 0 N--CA 1.472 0.647 0 C-N-CA 124.026 0.931 . . . . 0.0 112.366 -174.43 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 35.3 mttt -76.24 104.58 6.83 Favored 'General case' 0 N--CA 1.467 0.387 0 N-CA-C 113.397 0.888 . . . . 0.0 113.397 -160.437 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 31.1 tttt -148.96 108.86 4.05 Favored 'General case' 0 N--CA 1.468 0.475 0 C-N-CA 126.529 1.932 . . . . 0.0 108.302 167.206 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 6.3 tp . . . . . 0 N--CA 1.474 0.773 0 C-N-CA 124.489 1.116 . . . . 0.0 112.067 179.612 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 86.5 m-85 . . . . . 0 CA--C 1.539 0.531 0 CA-C-O 118.339 -0.839 . . . . 0.0 110.563 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 0.9 OUTLIER -146.98 -51.87 0.21 Allowed 'General case' 0 CA--C 1.539 0.522 0 CA-C-N 120.927 1.694 . . . . 0.0 114.29 175.103 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 1.7 pm0 -66.81 -29.82 69.86 Favored 'General case' 0 CA--C 1.536 0.424 0 C-N-CA 125.832 1.653 . . . . 0.0 112.296 167.954 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 75.4 tttt -103.57 9.51 37.42 Favored 'General case' 0 CA--C 1.542 0.641 0 C-N-CA 126.856 2.062 . . . . 0.0 112.519 177.675 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 7' ' ' TRP . . . . . . . . . . . . . 1.1 t-105 -141.91 3.74 1.63 Allowed 'General case' 0 N--CA 1.479 0.979 0 C-N-CA 124.486 1.114 . . . . 0.0 112.425 -170.861 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 56.8 mtt 57.18 57.65 4.39 Favored 'General case' 0 CA--C 1.542 0.671 0 C-N-CA 126.773 2.029 . . . . 0.0 115.401 169.922 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -65.72 38.03 0.02 OUTLIER 'General case' 0 CA--C 1.56 1.358 0 N-CA-C 117.989 2.589 . . . . 0.0 117.989 -174.395 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 14.3 m 46.23 57.92 4.91 Favored 'General case' 0 N--CA 1.492 1.654 0 CA-C-N 121.107 1.776 . . . . 0.0 113.056 171.806 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 1.5 t -77.9 87.06 4.1 Favored 'General case' 0 CA--C 1.54 0.565 0 C-N-CA 123.968 0.907 . . . . 0.0 111.891 -166.568 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 12.8 m-20 -107.13 -169.86 1.61 Allowed 'General case' 0 CA--C 1.547 0.84 0 C-N-CA 127.374 2.269 . . . . 0.0 109.779 -178.858 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 45.0 t -50.7 -42.09 56.66 Favored 'General case' 0 N--CA 1.479 1.023 0 N-CA-C 114.608 1.336 . . . . 0.0 114.608 177.915 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 77.8 mm-40 -92.08 -7.26 49.18 Favored 'General case' 0 N--CA 1.469 0.508 0 N-CA-C 114.708 1.373 . . . . 0.0 114.708 -175.067 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 4.9 mmt85 -86.56 149.33 25.02 Favored 'General case' 0 N--CA 1.473 0.713 0 CA-C-N 119.805 1.184 . . . . 0.0 112.679 -177.132 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 58.3 mttp -98.27 106.02 18.24 Favored 'General case' 0 N--CA 1.468 0.441 0 C-N-CA 126.201 1.801 . . . . 0.0 109.602 -175.535 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 8.0 t -70.65 91.43 0.81 Allowed 'General case' 0 CA--C 1.538 0.517 0 C-N-CA 123.186 0.594 . . . . 0.0 111.092 -168.978 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 5.7 t 11.58 -69.12 0.0 OUTLIER 'General case' 0 CA--C 1.537 0.45 0 C-N-CA 131.392 3.877 . . . . 0.0 117.719 166.624 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 88.2 mt-10 -131.89 32.17 4.11 Favored 'General case' 0 N--CA 1.469 0.507 0 C-N-CA 126.362 1.865 . . . . 0.0 111.623 -171.662 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 65.55 26.12 71.77 Favored Glycine 0 CA--C 1.534 1.228 0 O-C-N 121.452 -0.78 . . . . 0.0 114.434 177.161 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 18.6 mmt -87.31 -171.55 3.53 Favored 'General case' 0 CA--C 1.545 0.76 0 C-N-CA 125.176 1.391 . . . . 0.0 111.707 -176.927 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 58.0 t -64.58 131.7 30.34 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.701 0 C-N-CA 124.732 1.213 . . . . 0.0 109.464 172.147 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 33.8 t -111.6 82.0 1.54 Allowed 'General case' 0 CA--C 1.54 0.559 0 C-N-CA 124.592 1.157 . . . . 0.0 111.201 -178.172 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 4.1 mpt_? -135.09 104.17 5.83 Favored 'General case' 0 N--CA 1.476 0.834 0 C-N-CA 125.317 1.447 . . . . 0.0 109.651 175.311 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 5.8 mp 61.77 -27.52 0.06 Allowed 'General case' 0 N--CA 1.479 0.994 0 C-N-CA 127.057 2.143 . . . . 0.0 114.738 -169.669 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 26' ' ' TRP . . . . . . . . . . . . . 0.1 OUTLIER -155.26 171.97 18.95 Favored 'General case' 0 C--N 1.325 -0.48 0 C-N-CA 127.551 2.34 . . . . 0.0 110.441 -177.871 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 16.2 t -107.48 43.86 1.14 Allowed 'General case' 0 CA--C 1.544 0.722 0 C-N-CA 123.988 0.915 . . . . 0.0 111.348 178.807 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 3.0 mmmp? -59.11 139.93 56.37 Favored 'General case' 0 N--CA 1.479 0.977 0 C-N-CA 123.885 0.874 . . . . 0.0 110.972 -175.256 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 59.2 mtpt -60.88 131.44 50.68 Favored 'General case' 0 N--CA 1.475 0.819 0 C-N-CA 123.339 0.656 . . . . 0.0 111.176 -177.547 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -152.82 31.98 0.5 Allowed 'General case' 0 N--CA 1.477 0.881 0 N-CA-C 113.013 0.746 . . . . 0.0 113.013 -165.588 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 44.2 tp . . . . . 0 CA--C 1.534 0.363 0 N-CA-C 113.145 0.794 . . . . 0.0 113.145 -157.746 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 CA--C 1.533 0.297 0 N-CA-C 105.324 -2.102 . . . . 0.0 105.324 . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -38.37 -49.33 1.42 Allowed 'General case' 0 CA--C 1.548 0.876 0 C-N-CA 128.153 2.581 . . . . 0.0 114.488 169.889 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -66.78 -54.21 25.06 Favored 'General case' 0 CA--C 1.539 0.549 0 C-N-CA 124.643 1.177 . . . . 0.0 111.464 179.634 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 11.3 mttp -72.76 3.22 5.38 Favored 'General case' 0 N--CA 1.474 0.749 0 N-CA-C 115.814 1.783 . . . . 0.0 115.814 -178.54 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 7' ' ' TRP . . . . . . . . . . . . 0.278 32.9 m95 -131.87 13.57 4.82 Favored 'General case' 0 N--CA 1.47 0.529 0 N-CA-C 116.903 2.186 . . . . 0.0 116.903 172.947 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 5.9 mtt 56.69 55.69 6.13 Favored 'General case' 0 N--CA 1.478 0.948 0 N-CA-C 113.914 1.079 . . . . 0.0 113.914 174.452 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 4.1 pt20 -58.62 5.5 0.02 OUTLIER 'General case' 0 CA--C 1.551 1.017 0 N-CA-C 120.239 3.422 . . . . 0.0 120.239 -168.959 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 5.0 m 56.91 71.52 0.57 Allowed 'General case' 0 N--CA 1.479 0.999 0 O-C-N 120.363 -1.461 . . . . 0.0 112.587 -163.141 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 9.0 t -74.3 79.52 1.84 Allowed 'General case' 0 CA--C 1.541 0.633 0 O-C-N 121.15 -0.969 . . . . 0.0 111.297 -176.606 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 81.2 m-20 -70.99 163.81 26.81 Favored 'General case' 0 CA--C 1.534 0.343 0 C-N-CA 125.557 1.543 . . . . 0.0 114.326 174.357 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 8.7 t -61.68 -16.6 50.22 Favored 'General case' 0 N--CA 1.472 0.629 0 O-C-N 121.089 -1.007 . . . . 0.0 112.807 173.763 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 46.2 mt-10 -105.22 21.44 17.13 Favored 'General case' 0 CA--C 1.548 0.901 0 C-N-CA 125.493 1.517 . . . . 0.0 113.467 170.881 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 18.4 tpp85 -118.94 136.95 53.81 Favored 'General case' 0 N--CA 1.481 1.116 0 O-C-N 120.121 -1.612 . . . . 0.0 112.251 -174.901 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 66.1 mmtt -72.5 161.06 31.3 Favored 'General case' 0 N--CA 1.48 1.037 0 C-N-CA 125.436 1.494 . . . . 0.0 111.204 171.581 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 32.8 t -135.9 148.07 48.42 Favored 'General case' 0 CA--C 1.542 0.642 0 CA-C-O 122.559 1.171 . . . . 0.0 112.868 166.042 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 28.6 m -51.93 -34.57 42.42 Favored 'General case' 0 CA--C 1.537 0.461 0 C-N-CA 127.566 2.346 . . . . 0.0 114.286 -178.353 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -123.55 -31.45 3.49 Favored 'General case' 0 CA--C 1.542 0.644 0 C-N-CA 125.412 1.485 . . . . 0.0 112.894 170.623 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 94.06 63.07 1.05 Allowed Glycine 0 CA--C 1.529 0.926 0 O-C-N 120.988 -1.07 . . . . 0.0 112.98 178.686 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 50.2 mmm -115.09 -162.54 0.83 Allowed 'General case' 0 CA--C 1.539 0.526 0 C-N-CA 125.011 1.325 . . . . 0.0 111.134 -170.109 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 5.1 t -58.32 131.2 22.34 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.79 0 O-C-N 120.908 -1.12 . . . . 0.0 111.834 178.344 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 44.6 t -142.62 93.92 2.58 Favored 'General case' 0 CA--C 1.546 0.79 0 C-N-CA 123.962 0.905 . . . . 0.0 112.005 -151.171 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . 0.421 ' C ' ' H ' ' A' ' 26' ' ' TRP . 0.9 OUTLIER -161.97 129.26 3.91 Favored 'General case' 0 N--CA 1.493 1.695 0 C-N-CA 128.456 2.702 . . . . 0.0 106.485 164.841 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 5.9 mp 58.64 -17.9 0.02 OUTLIER 'General case' 0 N--CA 1.488 1.441 0 C-N-CA 126.87 2.068 . . . . 0.0 115.527 -175.661 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 26' ' ' TRP . . . . . 0.421 ' H ' ' C ' ' A' ' 24' ' ' ARG . 4.1 p-90 -157.41 166.97 31.6 Favored 'General case' 0 C--N 1.327 -0.41 0 C-N-CA 130.516 3.527 . . . . 0.0 109.899 -177.074 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 49.8 t -115.72 125.29 52.61 Favored 'General case' 0 CA--C 1.533 0.321 0 N-CA-C 107.332 -1.358 . . . . 0.0 107.332 162.575 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 31.4 mmmt -137.9 135.59 36.26 Favored 'General case' 0 N--CA 1.478 0.929 0 C-N-CA 124.272 1.029 . . . . 0.0 111.139 -171.644 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 15.3 mtpp -69.3 134.9 49.7 Favored 'General case' 0 N--CA 1.471 0.59 0 C-N-CA 123.833 0.853 . . . . 0.0 111.65 -179.707 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 5.3 tptm -154.63 43.25 0.5 Allowed 'General case' 0 N--CA 1.473 0.704 0 C-N-CA 124.462 1.105 . . . . 0.0 110.937 -179.368 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 13.7 tp . . . . . 0 CA--C 1.538 0.492 0 C-N-CA 124.629 1.172 . . . . 0.0 111.929 -168.991 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 3' ' ' TYR . . . . . . . . . . . . 0.339 47.3 m-85 . . . . . 0 N--CA 1.462 0.142 0 N-CA-C 114.315 1.228 . . . . 0.0 114.315 . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 7.4 p -133.59 -73.08 0.49 Allowed 'General case' 0 CA--C 1.54 0.565 0 C-N-CA 124.524 1.129 . . . . 0.0 112.226 -168.751 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 1.2 pm0 -62.2 -50.49 71.6 Favored 'General case' 0 N--CA 1.47 0.533 0 CA-C-N 119.028 0.831 . . . . 0.0 109.893 171.258 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 15.2 mtpp -66.15 -1.21 3.01 Favored 'General case' 0 N--CA 1.473 0.699 0 C-N-CA 125.838 1.655 . . . . 0.0 114.958 177.076 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 7' ' ' TRP . . . . . . . . . . . . . 54.9 t90 -136.37 17.45 3.16 Favored 'General case' 0 CA--C 1.541 0.603 0 C-N-CA 124.601 1.16 . . . . 0.0 113.333 -177.509 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 41.7 mtt 57.31 56.53 5.05 Favored 'General case' 0 CA--C 1.543 0.674 0 N-CA-C 113.791 1.034 . . . . 0.0 113.791 170.078 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 15.9 pt20 -56.86 25.17 0.0 OUTLIER 'General case' 0 CA--C 1.558 1.259 0 N-CA-C 120.4 3.482 . . . . 0.0 120.4 -167.815 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 27.6 m 57.73 57.7 4.09 Favored 'General case' 0 N--CA 1.487 1.394 0 CA-C-N 122.14 2.245 . . . . 0.0 112.742 178.649 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -79.97 70.35 6.53 Favored 'General case' 0 CA--C 1.538 0.505 0 C-N-CA 124.766 1.227 . . . . 0.0 112.956 -174.229 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 15.6 m-20 -87.09 -171.33 3.45 Favored 'General case' 0 CA--C 1.543 0.709 0 C-N-CA 125.33 1.452 . . . . 0.0 114.18 153.405 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 29.8 p -69.01 34.39 0.03 OUTLIER 'General case' 0 N--CA 1.479 0.998 0 N-CA-C 116.637 2.088 . . . . 0.0 116.637 -179.935 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 49.6 mm-40 -140.48 42.74 1.88 Allowed 'General case' 0 C--O 1.238 0.464 0 C-N-CA 126.821 2.048 . . . . 0.0 111.903 176.577 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 15' ' ' ARG . . . . . 0.452 ' HE ' ' HA ' ' A' ' 15' ' ' ARG . 0.4 OUTLIER -136.21 125.18 24.25 Favored 'General case' 0 N--CA 1.474 0.753 0 N-CA-C 117.144 2.276 . . . . 0.0 117.144 -168.606 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 18.6 ptmt -63.68 66.6 0.02 OUTLIER 'General case' 0 CA--C 1.542 0.666 0 C-N-CA 127.148 2.179 . . . . 0.0 112.84 145.862 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 48.7 t -56.87 122.04 11.29 Favored 'General case' 0 C--O 1.237 0.436 0 O-C-N 120.528 -1.357 . . . . 0.0 109.587 175.91 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 14.7 m -67.55 -13.85 62.42 Favored 'General case' 0 CA--C 1.542 0.648 0 N-CA-C 113.535 0.939 . . . . 0.0 113.535 -167.416 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 62.1 mm-40 -138.91 171.59 14.1 Favored 'General case' 0 CA--C 1.545 0.776 0 C-N-CA 125.782 1.633 . . . . 0.0 111.532 179.178 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -86.87 -8.84 75.45 Favored Glycine 0 CA--C 1.534 1.268 0 C-N-CA 125.395 1.474 . . . . 0.0 115.646 -174.733 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 15.3 ptp -58.61 -163.33 0.0 OUTLIER 'General case' 0 CA--C 1.547 0.862 0 C-N-CA 128.976 2.91 . . . . 0.0 113.934 172.441 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 2.7 t -50.48 142.83 2.71 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.869 0 O-C-N 120.989 -1.069 . . . . 0.0 113.131 179.322 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 41.4 t -132.97 79.04 1.82 Allowed 'General case' 0 N--CA 1.466 0.329 0 C-N-CA 124.465 1.106 . . . . 0.0 109.245 164.526 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 3.1 mpt_? -144.41 112.08 6.16 Favored 'General case' 0 N--CA 1.467 0.4 0 C-N-CA 125.881 1.672 . . . . 0.0 108.143 171.861 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 3.9 mp 60.18 -32.46 0.06 Allowed 'General case' 0 CA--C 1.548 0.873 0 C-N-CA 126.658 1.983 . . . . 0.0 114.978 -166.434 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 26' ' ' TRP . . . . . 0.424 ' CZ3' ' HE2' ' A' ' 28' ' ' LYS . 0.1 OUTLIER -153.44 172.11 17.62 Favored 'General case' 0 C--N 1.328 -0.326 0 C-N-CA 126.579 1.952 . . . . 0.0 113.291 -173.072 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 69.7 m -114.17 90.14 3.27 Favored 'General case' 0 CA--C 1.535 0.404 0 C-N-CA 125.234 1.414 . . . . 0.0 110.017 171.176 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . 0.424 ' HE2' ' CZ3' ' A' ' 26' ' ' TRP . 0.0 OUTLIER -132.94 160.22 37.7 Favored 'General case' 0 N--CA 1.477 0.9 0 C-N-CA 124.474 1.109 . . . . 0.0 111.418 175.286 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 33.6 mttm -67.24 130.51 43.31 Favored 'General case' 0 N--CA 1.468 0.47 0 C-N-CA 123.664 0.786 . . . . 0.0 111.534 -168.831 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 11.8 tppt? -162.94 96.06 0.89 Allowed 'General case' 0 N--CA 1.469 0.494 0 C-N-CA 125.675 1.59 . . . . 0.0 108.186 162.853 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 57.2 tp . . . . . 0 N--CA 1.47 0.569 0 N-CA-C 113.492 0.923 . . . . 0.0 113.492 -176.143 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 3' ' ' TYR . . . . . . . . . . . . 0.253 38.1 m-85 . . . . . 0 CA--C 1.538 0.483 0 N-CA-C 117.418 2.377 . . . . 0.0 117.418 . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 36.7 m -54.08 -43.67 70.52 Favored 'General case' 0 CA--C 1.538 0.497 0 N-CA-C 114.232 1.197 . . . . 0.0 114.232 -168.203 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -85.05 5.24 30.34 Favored 'General case' 0 CA--C 1.545 0.753 0 C-N-CA 125.142 1.377 . . . . 0.0 113.145 -173.903 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 4.4 ttmp? -137.26 -0.03 2.27 Favored 'General case' 0 CA--C 1.54 0.581 0 C-N-CA 127.659 2.384 . . . . 0.0 112.642 -166.231 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 7' ' ' TRP . . . . . . . . . . . . . 64.6 t90 -148.39 1.45 0.62 Allowed 'General case' 0 CA--C 1.553 1.092 0 N-CA-C 116.147 1.906 . . . . 0.0 116.147 -179.517 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 69.4 mtm 56.89 74.6 0.4 Allowed 'General case' 0 N--CA 1.477 0.876 0 C-N-CA 125.958 1.703 . . . . 0.0 113.458 176.95 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 10.0 pt20 -61.47 -2.39 0.73 Allowed 'General case' 0 CA--C 1.553 1.093 0 N-CA-C 116.219 1.933 . . . . 0.0 116.219 -174.563 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 33.5 m 59.27 92.39 0.04 OUTLIER 'General case' 0 N--CA 1.477 0.913 0 C-N-CA 125.591 1.556 . . . . 0.0 111.387 -149.97 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -97.95 77.84 2.51 Favored 'General case' 0 CA--C 1.537 0.467 0 C-N-CA 124.515 1.126 . . . . 0.0 111.56 -173.863 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 74.9 m-20 -68.41 173.77 4.64 Favored 'General case' 0 CA--C 1.548 0.902 0 C-N-CA 125.598 1.559 . . . . 0.0 114.332 169.447 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 42.4 t -55.61 -26.4 43.9 Favored 'General case' 0 N--CA 1.481 1.098 0 N-CA-C 114.805 1.409 . . . . 0.0 114.805 178.412 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 27.2 mt-10 -95.64 -10.17 30.12 Favored 'General case' 0 N--CA 1.474 0.766 0 N-CA-C 114.03 1.122 . . . . 0.0 114.03 179.144 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 11.3 mmt85 -82.38 133.02 35.21 Favored 'General case' 0 N--CA 1.471 0.595 0 O-C-N 121.044 -1.035 . . . . 0.0 112.929 -170.494 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -79.72 106.44 11.75 Favored 'General case' 0 N--CA 1.471 0.587 0 C-N-CA 123.188 0.595 . . . . 0.0 109.816 176.258 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 52.8 t -72.3 120.01 17.3 Favored 'General case' 0 CA--C 1.541 0.632 0 N-CA-C 108.446 -0.946 . . . . 0.0 108.446 164.34 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 63.5 m -49.7 -42.26 45.39 Favored 'General case' 0 N--CA 1.473 0.723 0 C-N-CA 125.72 1.608 . . . . 0.0 114.081 -163.124 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 54.9 mt-10 -96.35 15.32 21.55 Favored 'General case' 0 CA--C 1.544 0.721 0 N-CA-C 114.266 1.21 . . . . 0.0 114.266 -178.841 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 75.65 -5.19 39.42 Favored Glycine 0 CA--C 1.536 1.349 0 C-N-CA 126.042 1.782 . . . . 0.0 115.313 177.677 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 15.1 ptp -76.27 178.44 6.47 Favored 'General case' 0 CA--C 1.544 0.734 0 C-N-CA 126.568 1.947 . . . . 0.0 114.288 -175.948 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 19.6 t -53.23 131.76 15.45 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.914 0 C-N-CA 125.901 1.68 . . . . 0.0 113.909 -169.139 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 44.7 t -137.33 90.18 2.49 Favored 'General case' 0 CA--C 1.544 0.728 0 C-N-CA 126.719 2.008 . . . . 0.0 111.049 -165.255 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -145.32 93.25 2.35 Favored 'General case' 0 N--CA 1.477 0.925 0 C-N-CA 124.796 1.239 . . . . 0.0 110.638 175.66 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 18.9 mt 65.61 -46.04 0.38 Allowed 'General case' 0 CA--C 1.542 0.662 0 C-N-CA 127.464 2.306 . . . . 0.0 113.238 -169.307 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 26' ' ' TRP . . . . . . . . . . . . . 24.8 p-90 -96.17 167.38 11.24 Favored 'General case' 0 CA--C 1.534 0.341 0 C-N-CA 125.353 1.461 . . . . 0.0 112.774 164.155 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 2.4 t -127.33 129.67 48.07 Favored 'General case' 0 CA--C 1.542 0.646 0 N-CA-C 104.909 -2.256 . . . . 0.0 104.909 161.814 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 21.6 tptt -143.44 -100.86 0.12 Allowed 'General case' 0 N--CA 1.484 1.267 0 N-CA-C 114.156 1.169 . . . . 0.0 114.156 -156.354 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 7.8 mtpt -171.39 146.15 2.23 Favored 'General case' 0 N--CA 1.479 1.011 0 C-N-CA 126.917 2.087 . . . . 0.0 109.938 165.169 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 4.8 tptm -158.16 40.75 0.27 Allowed 'General case' 0 N--CA 1.481 1.086 0 C-N-CA 124.515 1.126 . . . . 0.0 111.65 173.501 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 6.7 tt . . . . . 0 CA--C 1.54 0.579 0 C-N-CA 126.385 1.874 . . . . 0.0 109.3 -172.816 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 3' ' ' TYR . . . . . . . . . . . . 0.319 0.1 OUTLIER . . . . . 0 C--O 1.234 0.282 0 N-CA-C 116.965 2.209 . . . . 0.0 116.965 . . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 3.8 m -112.48 -65.57 1.17 Allowed 'General case' 0 CA--C 1.536 0.433 0 C-N-CA 123.787 0.835 . . . . 0.0 111.323 169.828 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -60.0 -39.47 85.91 Favored 'General case' 0 N--CA 1.473 0.682 0 O-C-N 120.901 -1.124 . . . . 0.0 111.618 -179.966 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 7.8 mttp -69.46 -2.87 12.3 Favored 'General case' 0 N--CA 1.471 0.618 0 N-CA-C 114.701 1.371 . . . . 0.0 114.701 178.106 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 7' ' ' TRP . . . . . . . . . . . . . 4.8 t-105 -127.75 19.81 6.63 Favored 'General case' 0 CA--C 1.537 0.474 0 C-N-CA 124.324 1.049 . . . . 0.0 111.41 171.373 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 75.0 mtm 50.48 61.55 3.15 Favored 'General case' 0 CA--C 1.541 0.603 0 C-N-CA 125.234 1.414 . . . . 0.0 112.96 174.92 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -57.13 35.66 0.0 OUTLIER 'General case' 0 CA--C 1.551 1.01 0 C-N-CA 129.616 3.166 . . . . 0.0 119.329 -169.012 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 11.1 m 52.74 60.84 3.51 Favored 'General case' 0 N--CA 1.479 0.992 0 CA-C-N 120.678 1.581 . . . . 0.0 111.658 162.564 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 1.8 t -75.63 55.86 0.87 Allowed 'General case' 0 CA--C 1.541 0.598 0 C-N-CA 125.029 1.331 . . . . 0.0 114.08 -163.523 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 67.3 m-20 -67.79 159.64 29.86 Favored 'General case' 0 CA--C 1.536 0.409 0 C-N-CA 124.781 1.232 . . . . 0.0 113.823 158.33 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 33.3 t -57.1 -35.05 68.95 Favored 'General case' 0 N--CA 1.479 0.988 0 N-CA-C 114.539 1.311 . . . . 0.0 114.539 -171.082 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 13.9 pt-20 -73.38 -15.91 61.35 Favored 'General case' 0 CA--C 1.546 0.822 0 N-CA-C 115.228 1.566 . . . . 0.0 115.228 176.869 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -90.06 136.93 32.75 Favored 'General case' 0 N--CA 1.478 0.937 0 CA-C-N 119.73 1.15 . . . . 0.0 111.734 -171.794 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 37.8 mmtm -54.95 149.41 11.71 Favored 'General case' 0 N--CA 1.478 0.961 0 C-N-CA 125.022 1.329 . . . . 0.0 112.36 168.237 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 53.4 t -121.85 77.92 1.41 Allowed 'General case' 0 N--CA 1.469 0.505 0 C-N-CA 125.147 1.379 . . . . 0.0 109.451 173.154 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 2.4 m -70.03 28.36 0.03 OUTLIER 'General case' 0 CA--C 1.555 1.146 0 N-CA-C 116.361 1.986 . . . . 0.0 116.361 -162.742 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 4.9 mm-40 -132.67 -12.55 3.0 Favored 'General case' 0 CA--C 1.544 0.745 0 C-N-CA 125.663 1.585 . . . . 0.0 113.627 161.253 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 67.72 59.03 6.93 Favored Glycine 0 CA--C 1.535 1.282 0 CA-C-N 120.432 1.469 . . . . 0.0 113.547 -176.024 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 24.2 mmt -130.5 -160.18 1.02 Allowed 'General case' 0 N--CA 1.474 0.726 0 C-N-CA 125.08 1.352 . . . . 0.0 111.665 -164.881 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 13.5 t -46.67 141.62 1.12 Allowed 'Isoleucine or valine' 0 N--CA 1.474 0.749 0 CA-C-O 118.325 -0.845 . . . . 0.0 110.804 157.279 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 19.0 t -139.04 89.82 2.38 Favored 'General case' 0 CA--C 1.536 0.428 0 C-N-CA 125.627 1.571 . . . . 0.0 108.619 173.611 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . 0.422 ' C ' ' H ' ' A' ' 26' ' ' TRP . 4.3 mpt_? -144.37 99.58 3.39 Favored 'General case' 0 N--CA 1.476 0.84 0 C-N-CA 125.729 1.612 . . . . 0.0 109.485 178.935 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 25.7 mt 54.89 -20.68 0.01 OUTLIER 'General case' 0 N--CA 1.483 1.195 0 C-N-CA 128.317 2.647 . . . . 0.0 115.559 -159.424 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 26' ' ' TRP . . . . . 0.422 ' H ' ' C ' ' A' ' 24' ' ' ARG . 3.5 p-90 -157.24 172.79 18.0 Favored 'General case' 0 CA--C 1.54 0.56 0 C-N-CA 128.26 2.624 . . . . 0.0 111.974 -177.815 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 71.1 m -117.14 139.94 50.12 Favored 'General case' 0 CA--C 1.531 0.213 0 C-N-CA 125.967 1.707 . . . . 0.0 111.243 169.362 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 75.8 mttt -130.91 -115.94 0.23 Allowed 'General case' 0 N--CA 1.474 0.754 0 C-N-CA 125.952 1.701 . . . . 0.0 110.595 -178.216 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 3.1 ttpt -147.55 137.48 22.89 Favored 'General case' 0 N--CA 1.479 0.976 0 CA-C-N 120.351 1.432 . . . . 0.0 113.017 171.412 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 6.7 ttpt -156.63 -6.98 0.1 Allowed 'General case' 0 N--CA 1.486 1.336 0 C-N-CA 126.135 1.774 . . . . 0.0 115.527 171.057 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 34.1 tp . . . . . 0 N--CA 1.471 0.58 0 O-C-N 119.947 -1.721 . . . . 0.0 108.399 157.341 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 6.5 p90 . . . . . 0 C--O 1.232 0.143 0 N-CA-C 114.392 1.256 . . . . 0.0 114.392 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -161.82 -61.84 0.05 Allowed 'General case' 0 CA--C 1.539 0.528 0 N-CA-C 113.335 0.865 . . . . 0.0 113.335 173.441 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -64.24 -47.47 79.53 Favored 'General case' 0 N--CA 1.468 0.428 0 C-N-CA 124.714 1.206 . . . . 0.0 112.71 179.508 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 17.0 tttp -66.83 -9.8 41.23 Favored 'General case' 0 N--CA 1.469 0.487 0 C-N-CA 125.843 1.657 . . . . 0.0 113.321 -175.209 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 7' ' ' TRP . . . . . . . . . . . . . 0.1 OUTLIER -149.87 52.2 0.92 Allowed 'General case' 0 CA--C 1.55 0.965 0 C-N-CA 126.403 1.881 . . . . 0.0 107.965 -174.202 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 52.3 mtt 39.32 51.27 2.09 Favored 'General case' 0 N--CA 1.48 1.041 0 N-CA-C 117.314 2.339 . . . . 0.0 117.314 159.59 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 2.3 pt20 -58.38 -4.62 0.4 Allowed 'General case' 0 CA--C 1.553 1.064 0 N-CA-C 119.134 3.012 . . . . 0.0 119.134 -170.802 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 46.6 m 66.04 145.72 0.03 OUTLIER 'General case' 0 N--CA 1.482 1.163 0 CA-C-N 120.152 1.342 . . . . 0.0 112.843 -156.578 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 0.7 OUTLIER -156.74 128.58 7.23 Favored 'General case' 0 N--CA 1.468 0.459 0 O-C-N 119.632 -1.918 . . . . 0.0 110.791 -174.697 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 11.3 m-20 -149.14 165.29 32.23 Favored 'General case' 0 CA--C 1.544 0.713 0 C-N-CA 126.131 1.773 . . . . 0.0 107.314 -163.517 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 43.7 t -52.72 -38.12 60.26 Favored 'General case' 0 N--CA 1.482 1.139 0 O-C-N 120.791 -1.193 . . . . 0.0 114.071 178.797 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 70.5 tt0 -64.63 -34.12 77.53 Favored 'General case' 0 N--CA 1.473 0.688 0 N-CA-C 115.26 1.578 . . . . 0.0 115.26 173.832 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -112.55 138.22 49.64 Favored 'General case' 0 N--CA 1.466 0.344 0 C-N-CA 123.482 0.713 . . . . 0.0 112.72 -148.769 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 54.5 pttt -52.4 127.99 24.13 Favored 'General case' 0 N--CA 1.467 0.421 0 C-N-CA 124.979 1.312 . . . . 0.0 111.593 -172.883 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 5.9 t -89.91 117.41 28.71 Favored 'General case' 0 CA--C 1.531 0.246 0 N-CA-C 108.137 -1.06 . . . . 0.0 108.137 169.89 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 5.2 t -38.67 -43.2 0.87 Allowed 'General case' 0 CA--C 1.541 0.603 0 C-N-CA 127.363 2.265 . . . . 0.0 115.464 -179.285 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 55.0 mt-10 -128.89 22.1 5.82 Favored 'General case' 0 CA--C 1.546 0.825 0 C-N-CA 125.399 1.48 . . . . 0.0 111.593 -177.017 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 68.25 12.91 64.06 Favored Glycine 0 CA--C 1.541 1.663 0 N-CA-C 117.023 1.569 . . . . 0.0 117.023 177.954 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 18.3 mmt -76.74 -169.3 1.23 Allowed 'General case' 0 CA--C 1.547 0.865 0 C-N-CA 127.569 2.347 . . . . 0.0 113.914 -173.652 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 15.6 t -49.42 136.86 6.11 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.008 0 C-N-CA 124.641 1.176 . . . . 0.0 108.691 154.856 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 49.0 t -137.67 77.91 1.66 Allowed 'General case' 0 CA--C 1.539 0.547 0 C-N-CA 125.788 1.635 . . . . 0.0 110.397 -168.498 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -148.16 113.05 5.44 Favored 'General case' 0 N--CA 1.479 1.01 0 C-N-CA 126.68 1.992 . . . . 0.0 110.076 -179.169 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 48.5 mt 62.18 -32.14 0.09 Allowed 'General case' 0 N--CA 1.483 1.187 0 C-N-CA 127.441 2.296 . . . . 0.0 115.104 -162.526 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 26' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -153.16 159.21 42.66 Favored 'General case' 0 CA--C 1.532 0.254 0 C-N-CA 124.948 1.299 . . . . 0.0 110.395 173.12 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 9.0 t -87.77 123.41 32.54 Favored 'General case' 0 CA--C 1.531 0.234 0 N-CA-C 106.678 -1.601 . . . . 0.0 106.678 153.962 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . 0.289 2.2 tptm -122.06 -119.26 0.29 Allowed 'General case' 0 N--CA 1.478 0.95 0 CA-C-N 119.676 1.126 . . . . 0.0 111.607 -174.824 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 18.8 ttmm -139.0 129.02 25.15 Favored 'General case' 0 N--CA 1.471 0.616 0 CA-C-N 120.635 1.561 . . . . 0.0 111.637 166.346 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 3.7 tmtm? -118.3 -29.51 5.5 Favored 'General case' 0 N--CA 1.475 0.787 0 C-N-CA 126.646 1.978 . . . . 0.0 111.596 171.599 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 2.7 mm? . . . . . 0 CA--C 1.552 1.026 0 C-N-CA 126.484 1.914 . . . . 0.0 111.933 174.685 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 33.3 p90 . . . . . 0 C--O 1.237 0.4 0 N-CA-C 115.133 1.531 . . . . 0.0 115.133 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -154.12 -58.33 0.12 Allowed 'General case' 0 CA--C 1.545 0.784 0 N-CA-C 114.286 1.217 . . . . 0.0 114.286 -175.984 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -65.48 -44.47 87.03 Favored 'General case' 0 N--CA 1.477 0.879 0 O-C-N 121.01 -1.056 . . . . 0.0 110.246 171.964 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 31.6 tttm -73.71 4.07 5.59 Favored 'General case' 0 CA--C 1.542 0.664 0 C-N-CA 127.552 2.341 . . . . 0.0 114.031 -179.267 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 7' ' ' TRP . . . . . . . . . . . . . 23.5 t-105 -153.59 24.51 0.52 Allowed 'General case' 0 CA--C 1.549 0.929 0 C-N-CA 124.272 1.029 . . . . 0.0 113.028 -173.282 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 83.9 mtp 51.17 66.87 1.05 Allowed 'General case' 0 N--CA 1.476 0.874 0 N-CA-C 114.651 1.352 . . . . 0.0 114.651 172.939 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 5.7 pt20 -65.3 33.6 0.02 OUTLIER 'General case' 0 CA--C 1.555 1.163 0 N-CA-C 119.231 3.049 . . . . 0.0 119.231 -171.724 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 6.1 m 44.95 57.89 4.36 Favored 'General case' 0 N--CA 1.484 1.252 0 CA-C-N 120.902 1.683 . . . . 0.0 112.579 178.223 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 1.3 t -77.78 78.97 4.28 Favored 'General case' 0 CA--C 1.535 0.402 0 C-N-CA 123.769 0.828 . . . . 0.0 111.958 -161.509 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 74.3 m-20 -72.59 166.74 22.14 Favored 'General case' 0 CA--C 1.541 0.606 0 C-N-CA 126.028 1.731 . . . . 0.0 113.57 170.441 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 3.3 t -46.39 -40.66 12.45 Favored 'General case' 0 N--CA 1.48 1.054 0 N-CA-C 115.651 1.722 . . . . 0.0 115.651 -176.531 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 35.4 mp0 -101.04 9.66 41.92 Favored 'General case' 0 N--CA 1.472 0.634 0 C-N-CA 125.015 1.326 . . . . 0.0 113.515 -177.05 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -82.98 125.61 31.6 Favored 'General case' 0 N--CA 1.467 0.413 0 O-C-N 120.44 -1.412 . . . . 0.0 110.796 -169.564 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 10.8 ptmt -58.45 99.35 0.04 OUTLIER 'General case' 0 N--CA 1.479 0.994 0 C-N-CA 124.926 1.29 . . . . 0.0 113.25 178.211 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 43.6 t -66.05 140.91 58.3 Favored 'General case' 0 CA--C 1.54 0.588 0 C-N-CA 122.677 0.391 . . . . 0.0 111.756 -179.325 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 0.7 OUTLIER -60.94 -28.99 69.37 Favored 'General case' 0 CA--C 1.541 0.612 0 C-N-CA 126.946 2.098 . . . . 0.0 114.896 -177.599 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 97.0 mt-10 -136.65 -23.35 1.22 Allowed 'General case' 0 N--CA 1.472 0.636 0 C-N-CA 124.733 1.213 . . . . 0.0 113.722 -168.957 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 83.52 73.69 1.24 Allowed Glycine 0 CA--C 1.531 1.062 0 C-N-CA 124.06 0.838 . . . . 0.0 111.286 -162.892 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 16.0 mmt -141.82 178.19 7.66 Favored 'General case' 0 CA--C 1.54 0.579 0 C-N-CA 126.585 1.954 . . . . 0.0 110.862 -172.407 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 73.2 t -60.85 125.37 16.9 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.831 0 C-N-CA 124.186 0.994 . . . . 0.0 109.351 175.709 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 43.1 t -122.71 92.98 3.83 Favored 'General case' 0 CA--C 1.542 0.66 0 C-N-CA 126.157 1.783 . . . . 0.0 111.34 -168.026 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 4.7 mpt_? -151.45 106.85 3.33 Favored 'General case' 0 N--CA 1.482 1.157 0 C-N-CA 126.879 2.072 . . . . 0.0 109.601 179.547 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 6.5 mp 58.84 -33.42 0.05 OUTLIER 'General case' 0 N--CA 1.485 1.3 0 C-N-CA 128.451 2.7 . . . . 0.0 114.3 -161.023 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 26' ' ' TRP . . . . . . . . . . . . . 1.3 p-90 -141.62 157.65 44.82 Favored 'General case' 0 C--N 1.324 -0.525 0 C-N-CA 127.494 2.317 . . . . 0.0 110.878 178.58 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 0.6 OUTLIER -98.85 117.96 34.52 Favored 'General case' 0 N--CA 1.463 0.21 0 CA-C-O 117.638 -1.172 . . . . 0.0 107.965 166.865 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 68.8 mmtt -134.08 141.47 47.18 Favored 'General case' 0 N--CA 1.478 0.954 0 N-CA-C 116.605 2.076 . . . . 0.0 116.605 -167.801 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 25.0 tttp -77.84 79.8 4.31 Favored 'General case' 0 CA--C 1.536 0.42 0 C-N-CA 128.378 2.671 . . . . 0.0 113.003 -161.177 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -89.78 -5.97 56.43 Favored 'General case' 0 N--CA 1.479 0.98 0 N-CA-C 114.686 1.365 . . . . 0.0 114.686 172.529 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 9.0 tt . . . . . 0 N--CA 1.467 0.418 0 CA-C-N 119.227 0.921 . . . . 0.0 111.439 -177.028 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 3' ' ' TYR . . . . . . . . . . . . 0.377 49.7 m-85 . . . . . 0 CA--C 1.543 0.71 0 N-CA-C 118.022 2.601 . . . . 0.0 118.022 . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -36.39 -48.82 0.68 Allowed 'General case' 0 CA--C 1.546 0.788 0 C-N-CA 128.524 2.73 . . . . 0.0 116.507 -169.277 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -68.8 -39.19 80.23 Favored 'General case' 0 CA--C 1.546 0.789 0 C-N-CA 124.735 1.214 . . . . 0.0 113.24 -178.866 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 23.0 mttm -73.69 -36.52 65.3 Favored 'General case' 0 N--CA 1.477 0.899 0 C-N-CA 125.601 1.56 . . . . 0.0 114.019 173.689 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 7' ' ' TRP . . . . . . . . . . . . . 0.9 OUTLIER -83.59 -4.24 58.39 Favored 'General case' 0 N--CA 1.475 0.822 0 N-CA-C 116.27 1.952 . . . . 0.0 116.27 179.614 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 23.3 mtm 60.28 70.0 0.66 Allowed 'General case' 0 CA--C 1.538 0.5 0 C-N-CA 125.533 1.533 . . . . 0.0 111.774 -176.989 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -60.45 29.81 0.01 OUTLIER 'General case' 0 CA--C 1.554 1.107 0 C-N-CA 128.875 2.87 . . . . 0.0 118.205 -178.017 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 6.2 m 46.58 56.24 6.71 Favored 'General case' 0 N--CA 1.477 0.919 0 C-N-CA 127.025 2.13 . . . . 0.0 113.839 167.824 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -79.46 143.4 35.0 Favored 'General case' 0 CA--C 1.538 0.508 0 CA-C-N 115.465 -0.789 . . . . 0.0 111.812 -170.618 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 40.0 t0 -170.63 -179.63 2.98 Favored 'General case' 0 CA--C 1.544 0.725 0 N-CA-C 107.594 -1.262 . . . . 0.0 107.594 -139.335 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 30.2 t -59.35 -49.12 79.06 Favored 'General case' 0 N--CA 1.476 0.839 0 O-C-N 120.231 -1.543 . . . . 0.0 113.492 175.308 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 25.6 tt0 -95.12 16.26 16.89 Favored 'General case' 0 CA--C 1.544 0.737 0 N-CA-C 113.565 0.95 . . . . 0.0 113.565 -170.271 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -98.83 127.6 44.8 Favored 'General case' 0 N--CA 1.472 0.641 0 N-CA-C 115.16 1.541 . . . . 0.0 115.16 -169.994 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -60.52 156.76 15.57 Favored 'General case' 0 N--CA 1.469 0.508 0 CA-C-N 114.604 -1.18 . . . . 0.0 110.133 155.064 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 40.3 t -135.14 137.28 42.61 Favored 'General case' 0 CA--C 1.541 0.629 0 C-N-CA 124.073 0.949 . . . . 0.0 112.778 -167.735 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 1.9 t -57.94 -35.79 71.6 Favored 'General case' 0 CA--C 1.546 0.826 0 C-N-CA 126.405 1.882 . . . . 0.0 115.687 -166.631 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 29.2 mt-10 -147.67 27.67 0.98 Allowed 'General case' 0 CA--C 1.554 1.133 0 C-N-CA 124.581 1.152 . . . . 0.0 113.774 -174.988 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 69.98 8.23 60.86 Favored Glycine 0 CA--C 1.542 1.746 0 O-C-N 120.279 -1.513 . . . . 0.0 116.53 177.817 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -73.23 -178.02 2.75 Favored 'General case' 0 CA--C 1.546 0.805 0 C-N-CA 125.989 1.716 . . . . 0.0 112.677 176.521 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 91.2 t -64.17 142.52 16.76 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.758 0 C-N-CA 124.526 1.13 . . . . 0.0 110.593 171.731 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 36.8 t -122.81 80.58 1.77 Allowed 'General case' 0 CA--C 1.536 0.428 0 C-N-CA 126.581 1.952 . . . . 0.0 110.483 -166.645 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -140.09 108.49 5.84 Favored 'General case' 0 N--CA 1.479 0.982 0 C-N-CA 125.324 1.45 . . . . 0.0 110.92 -179.372 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 5.8 mp 62.25 -32.58 0.1 Allowed 'General case' 0 N--CA 1.477 0.877 0 C-N-CA 128.588 2.755 . . . . 0.0 114.133 -168.306 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 26' ' ' TRP . . . . . . . . . . . . . 0.4 OUTLIER -151.07 -179.51 7.37 Favored 'General case' 0 CA--C 1.539 0.521 0 C-N-CA 127.833 2.453 . . . . 0.0 111.289 171.622 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 0.9 OUTLIER -124.64 107.32 10.88 Favored 'General case' 0 CA--C 1.534 0.361 0 C-N-CA 125.42 1.488 . . . . 0.0 107.556 171.526 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 3.7 mptp? -116.33 141.68 47.84 Favored 'General case' 0 N--CA 1.48 1.052 0 C-N-CA 125.637 1.575 . . . . 0.0 110.77 174.812 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 1.1 ttmp? -58.33 115.16 2.78 Favored 'General case' 0 N--CA 1.479 0.997 0 N-CA-C 108.531 -0.914 . . . . 0.0 108.531 -178.237 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 10.0 tmtt? -150.34 95.97 2.33 Favored 'General case' 0 N--CA 1.467 0.407 0 C-N-CA 124.74 1.216 . . . . 0.0 108.723 -169.63 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 CA--C 1.535 0.393 0 C-N-CA 127.456 2.302 . . . . 0.0 108.775 -164.099 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 75.5 m-85 . . . . . 0 N--CA 1.47 0.544 0 N-CA-C 113.298 0.851 . . . . 0.0 113.298 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 0.6 OUTLIER -132.9 -66.22 0.68 Allowed 'General case' 0 CA--C 1.541 0.604 0 N-CA-C 114.394 1.257 . . . . 0.0 114.394 174.492 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -60.77 -33.77 73.46 Favored 'General case' 0 N--CA 1.475 0.802 0 O-C-N 120.851 -1.155 . . . . 0.0 113.362 -177.788 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 77.7 tttt -71.54 -20.66 62.0 Favored 'General case' 0 CA--C 1.542 0.64 0 N-CA-C 113.76 1.022 . . . . 0.0 113.76 173.612 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 7' ' ' TRP . . . . . . . . . . . . . 1.0 OUTLIER -147.17 63.01 1.17 Allowed 'General case' 0 CA--C 1.552 1.053 0 CA-C-N 119.949 1.25 . . . . 0.0 111.894 -152.65 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 8' ' ' MET . . . . . . . . . . . . 0.259 29.4 mtt 54.44 35.93 24.37 Favored 'General case' 0 N--CA 1.483 1.208 0 N-CA-C 117.962 2.579 . . . . 0.0 117.962 161.941 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -67.15 17.68 0.03 OUTLIER 'General case' 0 N--CA 1.482 1.126 0 N-CA-C 120.236 3.421 . . . . 0.0 120.236 -168.113 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 9.1 m 50.74 60.82 3.59 Favored 'General case' 0 N--CA 1.484 1.252 0 CA-C-N 120.802 1.637 . . . . 0.0 113.905 162.032 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 6.0 t -83.39 62.06 6.52 Favored 'General case' 0 CA--C 1.542 0.648 0 N-CA-C 113.152 0.797 . . . . 0.0 113.152 -166.928 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 24.8 m-20 -62.88 167.18 4.89 Favored 'General case' 0 CA--C 1.538 0.501 0 N-CA-C 113.633 0.975 . . . . 0.0 113.633 168.546 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 2.1 p -53.51 -26.33 20.32 Favored 'General case' 0 N--CA 1.479 0.988 0 N-CA-C 116.565 2.061 . . . . 0.0 116.565 -179.227 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 6.3 pt-20 -97.9 3.42 49.72 Favored 'General case' 0 CA--C 1.545 0.767 0 N-CA-C 114.922 1.453 . . . . 0.0 114.922 177.156 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -95.33 155.51 16.71 Favored 'General case' 0 N--CA 1.476 0.833 0 C-N-CA 124.769 1.228 . . . . 0.0 111.289 175.624 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 35.5 mttp -67.34 165.62 16.05 Favored 'General case' 0 N--CA 1.473 0.693 0 C-N-CA 123.538 0.735 . . . . 0.0 110.444 161.672 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 43.0 t -120.28 122.15 40.22 Favored 'General case' 0 C--N 1.328 -0.36 0 C-N-CA 125.043 1.337 . . . . 0.0 109.592 163.333 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 0.7 OUTLIER -48.69 -43.59 37.19 Favored 'General case' 0 CA--C 1.542 0.642 0 C-N-CA 125.364 1.465 . . . . 0.0 114.877 -164.797 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 9.4 mm-40 -118.36 9.39 12.43 Favored 'General case' 0 CA--C 1.549 0.925 0 C-N-CA 125.837 1.655 . . . . 0.0 111.276 179.328 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 79.05 -8.03 47.88 Favored Glycine 0 CA--C 1.537 1.416 0 N-CA-C 117.332 1.693 . . . . 0.0 117.332 -173.287 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 16.0 ptp -115.1 137.7 51.71 Favored 'General case' 0 N--CA 1.477 0.912 0 CA-C-N 120.515 2.157 . . . . 0.0 116.423 -169.712 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . 0.381 1.3 t 65.72 41.61 0.14 Allowed 'Isoleucine or valine' 0 N--CA 1.479 0.999 0 N-CA-C 115.953 1.834 . . . . 0.0 115.953 176.895 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 42.2 t -64.22 80.29 0.03 OUTLIER 'General case' 0 CA--C 1.546 0.81 0 C-N-CA 126.058 1.743 . . . . 0.0 112.996 176.204 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . 0.41 ' C ' ' H ' ' A' ' 26' ' ' TRP . 2.8 mpt_? -153.82 103.12 2.57 Favored 'General case' 0 N--CA 1.481 1.091 0 C-N-CA 127.136 2.174 . . . . 0.0 110.493 179.201 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 42.1 mt 60.88 -21.5 0.03 OUTLIER 'General case' 0 N--CA 1.481 1.111 0 C-N-CA 128.852 2.861 . . . . 0.0 115.45 -170.562 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 26' ' ' TRP . . . . . 0.41 ' H ' ' C ' ' A' ' 24' ' ' ARG . 0.0 OUTLIER -149.67 -164.32 1.99 Allowed 'General case' 0 CA--C 1.546 0.821 0 C-N-CA 129.351 3.06 . . . . 0.0 108.074 174.602 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 61.4 m -123.43 161.25 25.17 Favored 'General case' 0 C--O 1.237 0.444 0 C-N-CA 124.219 1.008 . . . . 0.0 108.993 152.399 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . 0.458 ' HA ' ' HE3' ' A' ' 28' ' ' LYS . 0.3 OUTLIER -140.06 -109.11 0.16 Allowed 'General case' 0 N--CA 1.474 0.775 0 CA-C-O 118.504 -0.76 . . . . 0.0 112.852 -165.22 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 20.8 tttt -161.24 139.26 9.41 Favored 'General case' 0 N--CA 1.469 0.51 0 C-N-CA 124.362 1.065 . . . . 0.0 109.241 177.456 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -159.25 -27.36 0.07 Allowed 'General case' 0 N--CA 1.48 1.029 0 N-CA-C 113.522 0.934 . . . . 0.0 113.522 178.008 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 4.7 tt . . . . . 0 CA--C 1.537 0.47 0 CA-C-N 119.233 0.924 . . . . 0.0 109.598 163.199 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 4.9 m-30 . . . . . 0 CA--C 1.533 0.291 0 N-CA-C 116.428 2.01 . . . . 0.0 116.428 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -118.13 -64.55 1.28 Allowed 'General case' 0 CA--C 1.534 0.341 0 C-N-CA 123.601 0.761 . . . . 0.0 111.583 171.056 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -63.65 -52.71 59.54 Favored 'General case' 0 CA--C 1.538 0.494 0 O-C-N 120.926 -1.109 . . . . 0.0 111.831 177.634 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -78.82 19.39 0.52 Allowed 'General case' 0 CA--C 1.547 0.845 0 N-CA-C 113.864 1.061 . . . . 0.0 113.864 178.835 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 7' ' ' TRP . . . . . . . . . . . . . 67.4 t-105 -138.99 16.44 2.64 Favored 'General case' 0 CA--C 1.546 0.823 0 C-N-CA 125.498 1.519 . . . . 0.0 111.99 171.949 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 74.0 mtm 56.86 60.13 3.18 Favored 'General case' 0 N--CA 1.47 0.527 0 C-N-CA 125.945 1.698 . . . . 0.0 114.684 172.321 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 1.5 pt20 -58.36 46.76 0.0 OUTLIER 'General case' 0 CA--C 1.553 1.083 0 C-N-CA 129.874 3.269 . . . . 0.0 118.406 178.794 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 17.1 m 46.05 53.16 9.47 Favored 'General case' 0 N--CA 1.481 1.119 0 CA-C-N 119.822 1.192 . . . . 0.0 113.586 156.62 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 7.0 t -71.5 132.8 45.24 Favored 'General case' 0 CA--C 1.539 0.539 0 O-C-N 120.96 -1.087 . . . . 0.0 113.05 -154.039 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 12' ' ' ASP . . . . . 0.403 ' H ' ' HB2' ' A' ' 15' ' ' ARG . 77.5 m-20 -129.02 162.27 28.01 Favored 'General case' 0 CA--C 1.537 0.471 0 C-N-CA 127.742 2.417 . . . . 0.0 112.071 -179.161 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 38.2 t -59.45 -19.84 50.58 Favored 'General case' 0 N--CA 1.475 0.824 0 N-CA-C 113.884 1.068 . . . . 0.0 113.884 175.437 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 12.7 pt-20 -95.23 -9.73 32.4 Favored 'General case' 0 N--CA 1.473 0.691 0 C-N-CA 126.052 1.741 . . . . 0.0 114.478 174.248 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 15' ' ' ARG . . . . . 0.403 ' HB2' ' H ' ' A' ' 12' ' ' ASP . 0.0 OUTLIER -83.49 132.79 34.93 Favored 'General case' 0 N--CA 1.468 0.439 0 O-C-N 121.003 -1.061 . . . . 0.0 109.87 -164.647 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 64.2 mttm -63.7 84.22 0.03 OUTLIER 'General case' 0 N--CA 1.475 0.819 0 C-N-CA 123.801 0.84 . . . . 0.0 111.684 170.509 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 44.3 t -62.09 129.6 41.58 Favored 'General case' 0 CA--C 1.54 0.583 0 C-N-CA 124.404 1.082 . . . . 0.0 109.801 -179.759 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 39.6 t -104.24 4.15 33.52 Favored 'General case' 0 CA--C 1.545 0.777 0 C-N-CA 124.351 1.06 . . . . 0.0 113.463 -152.372 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 46.7 mt-10 -123.14 -6.02 8.36 Favored 'General case' 0 N--CA 1.478 0.932 0 C-N-CA 125.061 1.344 . . . . 0.0 113.424 145.61 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 87.69 25.25 33.14 Favored Glycine 0 CA--C 1.534 1.224 0 N-CA-C 116.24 1.256 . . . . 0.0 116.24 170.315 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 20.0 ptp -152.84 152.04 31.11 Favored 'General case' 0 CA--C 1.537 0.474 0 CA-C-N 119.245 1.522 . . . . 0.0 114.687 -177.876 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . 0.342 2.0 t 52.47 58.91 0.3 Allowed 'Isoleucine or valine' 0 N--CA 1.479 0.983 0 C-N-CA 126.948 2.099 . . . . 0.0 115.491 171.147 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 51.1 t -73.52 92.94 1.95 Allowed 'General case' 0 CA--C 1.541 0.633 0 C-N-CA 125.135 1.374 . . . . 0.0 111.603 -176.873 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . 0.411 ' C ' ' H ' ' A' ' 26' ' ' TRP . 2.3 mpt_? -144.14 98.53 3.23 Favored 'General case' 0 N--CA 1.482 1.143 0 C-N-CA 125.543 1.537 . . . . 0.0 110.798 176.029 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 22.8 mt 61.43 -25.73 0.04 OUTLIER 'General case' 0 N--CA 1.482 1.126 0 C-N-CA 127.087 2.155 . . . . 0.0 114.55 -166.814 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 26' ' ' TRP . . . . . 0.411 ' H ' ' C ' ' A' ' 24' ' ' ARG . 7.8 p-90 -153.7 -171.78 4.01 Favored 'General case' 0 CA--C 1.54 0.594 0 C-N-CA 128.088 2.555 . . . . 0.0 111.298 177.812 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 74.3 m -134.31 152.83 52.03 Favored 'General case' 0 CA--C 1.537 0.461 0 C-N-CA 126.6 1.96 . . . . 0.0 108.078 167.501 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 25.1 mmtp -154.84 171.7 19.2 Favored 'General case' 0 N--CA 1.483 1.204 0 C-N-CA 127.194 2.198 . . . . 0.0 111.535 179.051 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 64.2 mttm -59.73 118.68 6.43 Favored 'General case' 0 N--CA 1.476 0.832 0 C-N-CA 124.231 1.012 . . . . 0.0 111.444 169.972 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 1.5 mmtm -147.23 10.43 0.99 Allowed 'General case' 0 N--CA 1.473 0.723 0 C-N-CA 124.642 1.177 . . . . 0.0 113.816 -173.839 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 9.9 tt . . . . . 0 CA--C 1.533 0.301 0 C-N-CA 124.591 1.156 . . . . 0.0 110.96 170.935 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 3' ' ' TYR . . . . . . . . . . . . 0.353 7.3 p90 . . . . . 0 N--CA 1.465 0.292 0 N-CA-C 116.705 2.113 . . . . 0.0 116.705 . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 8.6 p -132.59 -12.43 3.04 Favored 'General case' 0 CA--C 1.543 0.709 0 N-CA-C 114.271 1.212 . . . . 0.0 114.271 171.382 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 2.8 tt0 -91.59 -44.83 8.82 Favored 'General case' 0 N--CA 1.472 0.649 0 O-C-N 120.913 -1.117 . . . . 0.0 110.29 168.013 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 1.7 ttpm? -87.76 21.95 2.45 Favored 'General case' 0 CA--C 1.545 0.771 0 C-N-CA 125.941 1.696 . . . . 0.0 113.405 -178.063 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 7' ' ' TRP . . . . . . . . . . . . . 0.8 OUTLIER -160.26 157.98 29.08 Favored 'General case' 0 CA--C 1.541 0.596 0 C-N-CA 125.713 1.605 . . . . 0.0 108.833 -175.209 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 27.3 mtt -83.69 77.9 9.78 Favored 'General case' 0 N--CA 1.476 0.855 0 O-C-N 121.081 -1.012 . . . . 0.0 112.58 -173.269 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -64.65 11.86 0.05 OUTLIER 'General case' 0 CA--C 1.548 0.879 0 N-CA-C 118.377 2.732 . . . . 0.0 118.377 -168.95 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 2.6 m 47.5 87.01 0.02 OUTLIER 'General case' 0 N--CA 1.476 0.854 0 C-N-CA 126.835 2.054 . . . . 0.0 114.461 177.381 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 80.1 m -72.95 46.65 0.17 Allowed 'General case' 0 CA--C 1.546 0.805 0 C-N-CA 125.957 1.703 . . . . 0.0 115.279 -173.861 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 74.2 m-20 -58.1 145.82 35.34 Favored 'General case' 0 CA--C 1.533 0.29 0 N-CA-C 114.328 1.233 . . . . 0.0 114.328 171.904 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 22.3 t -61.38 -8.41 3.96 Favored 'General case' 0 N--CA 1.477 0.892 0 N-CA-C 115.496 1.665 . . . . 0.0 115.496 -173.756 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 93.3 mt-10 -94.88 1.98 55.37 Favored 'General case' 0 N--CA 1.474 0.738 0 C-N-CA 125.405 1.482 . . . . 0.0 114.274 171.807 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -113.59 152.61 30.08 Favored 'General case' 0 N--CA 1.468 0.456 0 CA-C-O 122.738 1.256 . . . . 0.0 112.945 -169.524 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 18.3 mttm -68.62 147.93 51.2 Favored 'General case' 0 N--CA 1.468 0.45 0 C-N-CA 125.753 1.621 . . . . 0.0 112.12 161.911 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 10.1 t -79.18 137.72 37.56 Favored 'General case' 0 CA--C 1.533 0.315 0 N-CA-C 109.453 -0.573 . . . . 0.0 109.453 150.898 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 4.9 t -50.25 -44.86 53.75 Favored 'General case' 0 CA--C 1.537 0.472 0 C-N-CA 125.717 1.607 . . . . 0.0 114.665 -177.651 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 8.5 mm-40 -122.2 11.91 10.2 Favored 'General case' 0 N--CA 1.481 1.113 0 C-N-CA 124.721 1.208 . . . . 0.0 113.041 -179.347 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 72.07 14.47 76.31 Favored Glycine 0 CA--C 1.542 1.74 0 O-C-N 119.875 -1.766 . . . . 0.0 115.676 -174.237 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 11.5 mmt -67.21 178.43 1.49 Allowed 'General case' 0 CA--C 1.547 0.861 0 C-N-CA 126.244 1.817 . . . . 0.0 111.317 170.603 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 92.6 t -67.67 131.67 32.96 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.959 0 C-N-CA 124.402 1.081 . . . . 0.0 110.222 170.434 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 2.0 t -128.22 111.84 13.85 Favored 'General case' 0 CA--C 1.542 0.644 0 C-N-CA 124.316 1.046 . . . . 0.0 112.37 -166.773 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . 0.401 ' C ' ' H ' ' A' ' 26' ' ' TRP . 0.2 OUTLIER -148.49 107.06 3.78 Favored 'General case' 0 N--CA 1.481 1.076 0 C-N-CA 125.519 1.528 . . . . 0.0 110.495 169.079 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 57.7 mt 58.05 -26.41 0.02 OUTLIER 'General case' 0 N--CA 1.485 1.293 0 C-N-CA 127.254 2.222 . . . . 0.0 115.655 -165.112 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 26' ' ' TRP . . . . . 0.401 ' H ' ' C ' ' A' ' 24' ' ' ARG . 7.3 p-90 -148.05 158.99 44.36 Favored 'General case' 0 CA--C 1.536 0.433 0 C-N-CA 128.851 2.86 . . . . 0.0 110.844 179.098 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -128.04 64.06 1.39 Allowed 'General case' 0 CA--C 1.54 0.578 0 CA-C-O 121.744 0.783 . . . . 0.0 111.739 -177.33 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 35.5 tttp -55.52 -81.95 0.01 OUTLIER 'General case' 0 N--CA 1.477 0.89 0 C-N-CA 127.352 2.261 . . . . 0.0 113.153 -164.494 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 4.6 mtpp -176.21 134.53 0.25 Allowed 'General case' 0 N--CA 1.474 0.772 0 C-N-CA 128.327 2.651 . . . . 0.0 108.45 168.89 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 14.4 ttmm -164.58 39.62 0.08 Allowed 'General case' 0 N--CA 1.482 1.155 0 C-N-CA 124.14 0.976 . . . . 0.0 112.754 -178.574 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 27.7 tp . . . . . 0 N--CA 1.472 0.665 0 O-C-N 120.259 -1.526 . . . . 0.0 113.568 -166.102 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 3' ' ' TYR . . . . . . . . . . . . 0.347 1.3 p90 . . . . . 0 N--CA 1.465 0.298 0 N-CA-C 117.253 2.316 . . . . 0.0 117.253 . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -155.62 -55.41 0.09 Allowed 'General case' 0 CA--C 1.54 0.589 0 N-CA-C 112.894 0.702 . . . . 0.0 112.894 168.834 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -61.41 -38.98 89.06 Favored 'General case' 0 N--CA 1.473 0.68 0 O-C-N 120.835 -1.166 . . . . 0.0 112.85 -175.682 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 51.1 tttt -75.85 -21.16 57.52 Favored 'General case' 0 N--CA 1.473 0.718 0 C-N-CA 124.782 1.233 . . . . 0.0 113.7 172.591 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 7' ' ' TRP . . . . . . . . . . . . . 56.9 t-105 -128.81 67.78 1.4 Allowed 'General case' 0 CA--C 1.534 0.352 0 C-N-CA 126.455 1.902 . . . . 0.0 111.216 -162.414 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 51.5 mtt 46.7 40.56 8.86 Favored 'General case' 0 CA--C 1.549 0.937 0 N-CA-C 116.176 1.917 . . . . 0.0 116.176 150.197 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -78.23 22.29 0.32 Allowed 'General case' 0 N--CA 1.472 0.641 0 N-CA-C 118.357 2.725 . . . . 0.0 118.357 -152.743 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 3.0 m 53.13 44.84 29.78 Favored 'General case' 0 N--CA 1.477 0.906 0 CA-C-N 120.162 1.347 . . . . 0.0 112.904 -179.651 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 1.8 t -70.9 120.64 16.78 Favored 'General case' 0 CA--C 1.538 0.501 0 O-C-N 121.139 -0.976 . . . . 0.0 109.322 -179.389 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 49.7 t0 -159.96 166.65 29.66 Favored 'General case' 0 CA--C 1.543 0.701 0 N-CA-C 106.786 -1.561 . . . . 0.0 106.786 -151.855 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 28.8 t -34.25 -53.61 0.5 Allowed 'General case' 0 N--CA 1.48 1.069 0 N-CA-C 117.003 2.223 . . . . 0.0 117.003 -164.725 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 29.8 tt0 -96.17 -23.46 16.73 Favored 'General case' 0 CA--C 1.542 0.639 0 N-CA-C 114.639 1.348 . . . . 0.0 114.639 179.151 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -87.07 124.58 33.39 Favored 'General case' 0 N--CA 1.465 0.318 0 O-C-N 121.44 -0.787 . . . . 0.0 111.879 -157.966 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 29.0 tptp -51.12 130.46 26.17 Favored 'General case' 0 N--CA 1.468 0.459 0 C-N-CA 126.483 1.913 . . . . 0.0 113.441 -172.033 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 41.0 t -73.68 136.61 43.8 Favored 'General case' 0 CA--C 1.535 0.377 0 N-CA-C 110.276 -0.268 . . . . 0.0 110.276 163.184 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 1.7 t -52.7 -48.39 66.61 Favored 'General case' 0 CA--C 1.542 0.646 0 C-N-CA 125.499 1.52 . . . . 0.0 114.195 -173.168 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -132.76 -1.46 3.39 Favored 'General case' 0 CA--C 1.552 1.054 0 N-CA-C 114.278 1.214 . . . . 0.0 114.278 -177.005 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 117.52 -9.11 14.98 Favored Glycine 0 CA--C 1.545 1.962 0 C-N-CA 125.831 1.682 . . . . 0.0 117.154 174.546 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -74.08 -163.42 0.18 Allowed 'General case' 0 CA--C 1.551 0.981 0 C-N-CA 126.491 1.916 . . . . 0.0 115.27 -176.278 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 39.9 t -72.77 106.84 3.08 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.847 0 C-N-CA 125.472 1.509 . . . . 0.0 113.187 -162.504 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 42.5 t -96.22 90.94 5.66 Favored 'General case' 0 CA--C 1.539 0.526 0 C-N-CA 125.739 1.616 . . . . 0.0 111.725 -167.446 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 1.5 mpt_? -145.02 78.5 1.56 Allowed 'General case' 0 N--CA 1.483 1.184 0 C-N-CA 124.796 1.238 . . . . 0.0 112.75 -178.679 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 20.5 mt 68.74 -7.79 0.7 Allowed 'General case' 0 N--CA 1.482 1.141 0 C-N-CA 126.579 1.952 . . . . 0.0 114.657 -168.993 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 26' ' ' TRP . . . . . 0.544 ' CG ' ' HE2' ' A' ' 28' ' ' LYS . 2.2 p-90 -156.49 178.32 10.45 Favored 'General case' 0 CA--C 1.539 0.527 0 C-N-CA 129.248 3.019 . . . . 0.0 110.612 176.985 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -139.2 69.29 1.37 Allowed 'General case' 0 CA--C 1.546 0.798 0 CA-C-N 120.042 1.292 . . . . 0.0 113.651 175.603 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . 0.544 ' HE2' ' CG ' ' A' ' 26' ' ' TRP . 1.5 mptp? -71.98 145.04 48.64 Favored 'General case' 0 N--CA 1.478 0.928 0 C-N-CA 125.897 1.679 . . . . 0.0 113.245 -178.446 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 36.9 tttm -68.92 119.76 13.75 Favored 'General case' 0 N--CA 1.478 0.928 0 C-N-CA 123.692 0.797 . . . . 0.0 110.87 177.645 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 60.1 tttm -160.14 80.95 0.69 Allowed 'General case' 0 N--CA 1.471 0.596 0 C-N-CA 125.059 1.344 . . . . 0.0 110.465 -173.85 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 7.5 tt . . . . . 0 N--CA 1.47 0.529 0 C-N-CA 127.186 2.194 . . . . 0.0 108.027 -179.109 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 3' ' ' TYR . . . . . . . . . . . . 0.277 74.6 m-85 . . . . . 0 C--O 1.236 0.377 0 N-CA-C 114.144 1.164 . . . . 0.0 114.144 . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 1.1 p -141.63 -28.6 0.64 Allowed 'General case' 0 CA--C 1.545 0.757 0 N-CA-C 115.075 1.509 . . . . 0.0 115.075 -161.99 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -90.07 -45.89 8.85 Favored 'General case' 0 N--CA 1.47 0.56 0 CA-C-N 119.77 1.168 . . . . 0.0 110.668 166.529 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 8.3 ttmt -64.97 -13.08 56.6 Favored 'General case' 0 N--CA 1.475 0.792 0 O-C-N 121.05 -1.031 . . . . 0.0 112.635 171.147 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 7' ' ' TRP . . . . . . . . . . . . . 8.1 m95 -135.6 31.31 3.11 Favored 'General case' 0 CA--C 1.542 0.657 0 C-N-CA 127.796 2.438 . . . . 0.0 114.528 -173.086 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 75.8 mtm 45.23 61.67 2.46 Favored 'General case' 0 CA--C 1.549 0.907 0 N-CA-C 116.924 2.194 . . . . 0.0 116.924 159.145 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 2.8 pt20 -66.5 25.25 0.02 OUTLIER 'General case' 0 CA--C 1.552 1.053 0 N-CA-C 119.577 3.177 . . . . 0.0 119.577 -170.804 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 6.8 m 57.96 55.11 5.52 Favored 'General case' 0 N--CA 1.486 1.357 0 CA-C-N 121.607 2.003 . . . . 0.0 113.533 170.787 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 1.3 t -84.44 80.92 9.06 Favored 'General case' 0 CA--C 1.545 0.786 0 N-CA-C 113.875 1.065 . . . . 0.0 113.875 -160.578 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 43.6 m-20 -71.24 179.21 2.96 Favored 'General case' 0 CA--C 1.555 1.141 0 C-N-CA 126.475 1.91 . . . . 0.0 115.463 166.983 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 44.5 t -54.7 -42.64 71.7 Favored 'General case' 0 N--CA 1.484 1.271 0 O-C-N 120.468 -1.395 . . . . 0.0 113.381 173.43 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 37.1 tt0 -67.84 -27.64 66.88 Favored 'General case' 0 N--CA 1.473 0.682 0 C-N-CA 124.779 1.232 . . . . 0.0 114.016 176.548 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -80.08 127.25 32.08 Favored 'General case' 0 N--CA 1.468 0.441 0 O-C-N 120.809 -1.182 . . . . 0.0 111.07 -165.447 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 16.1 mmtp -61.7 125.2 22.99 Favored 'General case' 0 N--CA 1.471 0.608 0 O-C-N 121.523 -0.735 . . . . 0.0 109.815 169.587 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 49.3 t -63.49 145.26 56.01 Favored 'General case' 0 CA--C 1.54 0.566 0 CA-C-N 118.8 0.727 . . . . 0.0 110.81 168.546 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 28.1 t -71.01 -36.99 72.64 Favored 'General case' 0 CA--C 1.542 0.673 0 C-N-CA 124.852 1.261 . . . . 0.0 113.843 -175.15 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 11.6 mt-10 -140.52 13.0 2.34 Favored 'General case' 0 N--CA 1.476 0.868 0 N-CA-C 114.471 1.286 . . . . 0.0 114.471 -164.026 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 72.3 56.08 6.49 Favored Glycine 0 CA--C 1.536 1.344 0 O-C-N 120.549 -1.344 . . . . 0.0 112.576 -175.638 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 25.4 mmt -139.07 -175.79 4.28 Favored 'General case' 0 N--CA 1.471 0.578 0 C-N-CA 126.086 1.754 . . . . 0.0 111.175 -165.54 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 47.9 t -67.81 107.4 1.13 Allowed 'Isoleucine or valine' 0 N--CA 1.478 0.929 0 CA-C-N 118.91 0.777 . . . . 0.0 111.235 179.081 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 42.3 t -86.16 93.45 9.03 Favored 'General case' 0 CA--C 1.536 0.437 0 C-N-CA 124.639 1.176 . . . . 0.0 110.087 174.64 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . 0.422 ' C ' ' H ' ' A' ' 26' ' ' TRP . 3.9 mpt_? -152.66 106.44 3.08 Favored 'General case' 0 N--CA 1.477 0.875 0 C-N-CA 126.186 1.794 . . . . 0.0 110.787 173.329 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 11.8 mt 61.22 -18.53 0.03 OUTLIER 'General case' 0 N--CA 1.484 1.274 0 N-CA-C 116.281 1.956 . . . . 0.0 116.281 -171.38 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 26' ' ' TRP . . . . . 0.422 ' H ' ' C ' ' A' ' 24' ' ' ARG . 1.6 p-90 -158.23 -177.62 6.68 Favored 'General case' 0 C--N 1.324 -0.517 0 C-N-CA 130.181 3.392 . . . . 0.0 109.321 -179.134 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 1.6 m -111.51 145.5 38.96 Favored 'General case' 0 CA--C 1.532 0.256 0 N-CA-C 108.408 -0.96 . . . . 0.0 108.408 146.589 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 67.9 mmtt -139.21 131.75 28.72 Favored 'General case' 0 N--CA 1.474 0.732 0 C-N-CA 125.518 1.527 . . . . 0.0 108.841 -179.853 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 80.1 mttt -51.93 126.45 18.27 Favored 'General case' 0 N--CA 1.477 0.918 0 CA-C-N 118.408 0.549 . . . . 0.0 112.126 -175.951 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 66.3 tttt -154.75 64.12 0.66 Allowed 'General case' 0 N--CA 1.469 0.512 0 C-N-CA 127.084 2.154 . . . . 0.0 108.946 177.675 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 1.2 mt . . . . . 0 C--N 1.326 -0.446 0 C-N-CA 125.643 1.577 . . . . 0.0 109.453 174.8 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 3' ' ' TYR . . . . . . . . . . . . 0.41 53.0 m-85 . . . . . 0 CA--C 1.539 0.553 0 N-CA-C 119.124 3.009 . . . . 0.0 119.124 . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 4.4 p -135.85 -9.34 2.09 Favored 'General case' 0 CA--C 1.543 0.691 0 N-CA-C 116.217 1.932 . . . . 0.0 116.217 -166.871 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -108.47 -46.92 3.6 Favored 'General case' 0 N--CA 1.469 0.497 0 C-N-CA 125.653 1.581 . . . . 0.0 110.693 178.429 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 4.9 ttmm -85.59 0.73 51.69 Favored 'General case' 0 CA--C 1.536 0.42 0 C-N-CA 124.979 1.312 . . . . 0.0 113.015 173.576 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 7' ' ' TRP . . . . . . . . . . . . . 52.1 t-105 -152.31 145.22 24.43 Favored 'General case' 0 CA--C 1.537 0.468 0 C-N-CA 125.999 1.72 . . . . 0.0 108.688 -175.746 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 27.3 mtt -83.61 94.75 8.16 Favored 'General case' 0 N--CA 1.471 0.617 0 N-CA-C 113.493 0.923 . . . . 0.0 113.493 -160.464 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 2.3 pt20 -71.77 -5.19 32.31 Favored 'General case' 0 CA--C 1.545 0.75 0 N-CA-C 117.704 2.483 . . . . 0.0 117.704 -172.977 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 8.7 m 55.15 79.22 0.16 Allowed 'General case' 0 N--CA 1.482 1.145 0 CA-C-N 121.547 1.976 . . . . 0.0 112.379 -167.687 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 3.4 t -81.29 67.73 7.33 Favored 'General case' 0 CA--C 1.547 0.831 0 C-N-CA 124.034 0.934 . . . . 0.0 113.447 -173.502 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -55.13 151.0 9.84 Favored 'General case' 0 CA--C 1.539 0.526 0 C-N-CA 123.605 0.762 . . . . 0.0 112.063 159.366 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 60.0 p -64.11 -4.26 3.4 Favored 'General case' 0 N--CA 1.482 1.167 0 N-CA-C 116.13 1.9 . . . . 0.0 116.13 179.188 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 12.5 pt-20 -91.86 -9.82 41.93 Favored 'General case' 0 CA--C 1.544 0.739 0 C-N-CA 124.995 1.318 . . . . 0.0 114.194 169.731 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 14.5 ttt180 -94.9 142.23 27.71 Favored 'General case' 0 N--CA 1.472 0.665 0 CA-C-N 119.533 1.06 . . . . 0.0 112.83 -173.125 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 10.3 ptpt -48.71 97.91 0.01 OUTLIER 'General case' 0 N--CA 1.475 0.783 0 C-N-CA 126.686 1.995 . . . . 0.0 113.22 162.96 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 37.4 t -66.56 120.86 14.13 Favored 'General case' 0 CA--C 1.534 0.35 0 O-C-N 120.93 -1.106 . . . . 0.0 109.557 176.081 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 6.0 t -50.07 -48.96 52.81 Favored 'General case' 0 CA--C 1.538 0.491 0 N-CA-C 115.793 1.775 . . . . 0.0 115.793 -157.183 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 27.8 mm-40 -116.66 16.89 15.39 Favored 'General case' 0 CA--C 1.546 0.821 0 C-N-CA 125.887 1.675 . . . . 0.0 111.276 175.391 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 73.48 12.49 80.21 Favored Glycine 0 CA--C 1.534 1.241 0 N-CA-C 116.286 1.274 . . . . 0.0 116.286 -179.828 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 20.7 ptp -124.61 119.3 28.63 Favored 'General case' 0 CA--C 1.538 0.516 0 CA-C-N 119.144 1.472 . . . . 0.0 114.796 -171.069 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . 0.314 8.1 t 53.99 65.2 0.18 Allowed 'Isoleucine or valine' 0 N--CA 1.479 1.014 0 C-N-CA 127.344 2.258 . . . . 0.0 114.238 168.896 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 42.0 t -65.85 85.01 0.08 Allowed 'General case' 0 CA--C 1.538 0.487 0 C-N-CA 127.584 2.354 . . . . 0.0 111.305 175.092 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 1.5 mpt_? -135.61 87.25 2.3 Favored 'General case' 0 N--CA 1.476 0.873 0 C-N-CA 126.436 1.894 . . . . 0.0 110.212 175.939 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 23.7 mt 61.26 -18.21 0.04 OUTLIER 'General case' 0 CA--C 1.546 0.817 0 C-N-CA 127.985 2.514 . . . . 0.0 115.198 -166.017 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 26' ' ' TRP . . . . . . . . . . . . . 5.1 p-90 -156.4 -174.62 5.03 Favored 'General case' 0 CA--C 1.54 0.593 0 C-N-CA 127.645 2.378 . . . . 0.0 111.016 173.343 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 94.9 m -133.44 68.58 1.49 Allowed 'General case' 0 CA--C 1.546 0.806 0 C-N-CA 124.925 1.29 . . . . 0.0 110.84 174.174 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 13.0 tmtt? -63.39 -56.53 15.53 Favored 'General case' 0 N--CA 1.482 1.166 0 C-N-CA 126.189 1.796 . . . . 0.0 114.631 -165.97 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 9.5 mtpt 171.87 136.42 0.03 OUTLIER 'General case' 0 N--CA 1.476 0.845 0 C-N-CA 129.074 2.95 . . . . 0.0 108.036 171.092 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -161.9 34.28 0.12 Allowed 'General case' 0 N--CA 1.481 1.09 0 C-N-CA 124.674 1.19 . . . . 0.0 112.343 172.528 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 48.3 tp . . . . . 0 N--CA 1.466 0.334 0 O-C-N 120.88 -1.137 . . . . 0.0 111.552 175.728 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.47 0.956 0 CA-C-O 118.479 -1.178 . . . . 0.0 110.777 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 40.2 Cg_endo -69.02 -7.88 22.07 Favored 'Trans proline' 0 CA--C 1.535 0.541 1 C-N-CA 125.426 4.084 . . . . 0.0 116.02 -176.745 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' TYR . . . . . . . . . . . . 0.328 2.5 p90 -143.92 100.84 3.64 Favored 'General case' 0 N--CA 1.465 0.286 0 N-CA-C 115.352 1.612 . . . . 0.0 115.352 179.845 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 2.7 p -154.17 -71.79 0.13 Allowed 'General case' 0 CA--C 1.537 0.474 0 C-N-CA 123.368 0.667 . . . . 0.0 112.489 -171.325 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -61.52 -60.47 3.66 Favored 'General case' 0 N--CA 1.472 0.658 0 CA-C-N 118.801 0.728 . . . . 0.0 111.099 179.945 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 21.1 ttpp -78.87 36.21 0.27 Allowed 'General case' 0 N--CA 1.479 0.998 0 O-C-N 120.979 -1.076 . . . . 0.0 113.579 170.019 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' TRP . . . . . . . . . . . . . 11.9 t90 -144.62 10.51 1.41 Allowed 'General case' 0 CA--C 1.547 0.859 0 C-N-CA 125.445 1.498 . . . . 0.0 111.248 165.526 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' MET . . . . . . . . . . . . 0.253 38.0 mtm 59.29 57.52 3.37 Favored 'General case' 0 CA--C 1.539 0.52 0 C-N-CA 125.783 1.633 . . . . 0.0 114.19 171.641 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 4.9 pt20 -59.46 45.68 0.0 OUTLIER 'General case' 0 CA--C 1.555 1.146 0 C-N-CA 129.722 3.209 . . . . 0.0 119.262 -175.746 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 4.2 m 44.77 58.88 3.67 Favored 'General case' 0 N--CA 1.487 1.395 0 N-CA-C 115.174 1.546 . . . . 0.0 115.174 152.858 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 7.1 t -82.11 140.27 33.92 Favored 'General case' 0 CA--C 1.543 0.704 0 N-CA-C 115.125 1.528 . . . . 0.0 115.125 -158.363 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 62.3 m-20 -138.63 168.72 19.17 Favored 'General case' 0 CA--C 1.55 0.975 0 C-N-CA 129.93 3.292 . . . . 0.0 107.796 -175.577 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 44.0 t -69.92 13.0 0.16 Allowed 'General case' 0 N--CA 1.491 1.605 0 O-C-N 120.107 -1.621 . . . . 0.0 114.427 174.752 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 14.7 pt-20 -131.28 1.28 4.17 Favored 'General case' 0 CA--C 1.539 0.546 0 C-N-CA 127.57 2.348 . . . . 0.0 111.955 -179.142 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -93.25 133.9 35.99 Favored 'General case' 0 C--N 1.344 0.368 0 CA-C-O 122.389 1.09 . . . . 0.0 110.812 -171.565 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 12.2 mptt -75.44 63.91 1.52 Allowed 'General case' 0 CA--C 1.542 0.635 0 C-N-CA 127.887 2.475 . . . . 0.0 111.233 -178.279 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 42.5 t -61.67 107.26 0.79 Allowed 'General case' 0 CA--C 1.534 0.343 0 C-N-CA 126.608 1.963 . . . . 0.0 110.05 -172.073 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 59.0 m -66.89 -15.2 63.49 Favored 'General case' 0 CA--C 1.539 0.541 0 N-CA-C 114.352 1.242 . . . . 0.0 114.352 -161.506 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 70.9 mm-40 -130.03 4.1 4.87 Favored 'General case' 0 CA--C 1.544 0.722 0 N-CA-C 114.115 1.154 . . . . 0.0 114.115 177.371 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 64.76 13.44 56.29 Favored Glycine 0 CA--C 1.539 1.546 0 N-CA-C 116.533 1.373 . . . . 0.0 116.533 178.538 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 14.3 ptp -109.6 124.68 51.56 Favored 'General case' 0 N--CA 1.469 0.496 0 C-N-CA 125.956 1.702 . . . . 0.0 112.561 -170.01 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 2.9 t 49.65 70.69 0.11 Allowed 'Isoleucine or valine' 0 N--CA 1.471 0.621 0 C-N-CA 125.895 1.678 . . . . 0.0 114.71 173.832 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 35.2 t -72.93 58.11 0.46 Allowed 'General case' 0 CA--C 1.548 0.899 0 C-N-CA 124.241 1.016 . . . . 0.0 111.998 172.772 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 5.7 mpt_? -125.15 109.74 13.25 Favored 'General case' 0 N--CA 1.47 0.547 0 C-N-CA 126.446 1.899 . . . . 0.0 109.281 174.247 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 4.7 mp 57.81 -19.32 0.02 OUTLIER 'General case' 0 N--CA 1.478 0.949 0 C-N-CA 127.911 2.484 . . . . 0.0 116.724 -172.224 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 26' ' ' TRP . . . . . . . . . . . . . 0.1 OUTLIER -159.82 -159.81 0.76 Allowed 'General case' 0 CA--C 1.544 0.727 0 C-N-CA 128.846 2.858 . . . . 0.0 110.359 -177.86 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 96.5 m -131.51 123.98 29.16 Favored 'General case' 0 N--CA 1.469 0.522 0 C-N-CA 124.362 1.065 . . . . 0.0 109.098 161.116 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 8.0 mmmm -151.67 155.87 39.23 Favored 'General case' 0 N--CA 1.48 1.063 0 C-N-CA 127.551 2.34 . . . . 0.0 109.277 -170.123 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 25.2 ttpt -79.42 135.75 36.77 Favored 'General case' 0 N--CA 1.479 1.018 0 O-C-N 120.174 -1.578 . . . . 0.0 112.827 -176.892 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 16.7 ttmm -146.78 96.32 2.73 Favored 'General case' 0 N--CA 1.48 1.068 0 C-N-CA 126.719 2.007 . . . . 0.0 108.507 165.057 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 5.8 tt -154.41 142.88 20.64 Favored 'General case' 0 N--CA 1.472 0.659 0 C-N-CA 124.465 1.106 . . . . 0.0 112.933 -167.455 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 2.8 pp . . . . . 0 C--O 1.206 -1.192 0 CA-C-O 122.223 1.011 . . . . 0.0 109.07 167.481 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.469 0.859 0 N-CA-C 111.052 -0.819 . . . . 0.0 111.052 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 94.7 Cg_endo -72.89 136.66 25.55 Favored 'Trans proline' 0 N--CA 1.46 -0.482 0 C-N-CA 123.451 2.767 . . . . 0.0 112.326 -174.121 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 47.3 m-85 -64.47 135.77 56.41 Favored 'General case' 0 CA--C 1.537 0.444 0 N-CA-C 116.406 2.002 . . . . 0.0 116.406 176.041 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 1.2 p -153.78 -22.01 0.14 Allowed 'General case' 0 CA--C 1.546 0.802 0 N-CA-C 116.17 1.915 . . . . 0.0 116.17 -175.267 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -93.6 -34.68 13.22 Favored 'General case' 0 CA--C 1.537 0.468 0 C-N-CA 125.3 1.44 . . . . 0.0 110.379 164.674 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 43.6 tttm -82.8 -3.31 56.51 Favored 'General case' 0 CA--C 1.546 0.794 0 C-N-CA 124.754 1.222 . . . . 0.0 113.671 175.057 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 7' ' ' TRP . . . . . . . . . . . . . 41.8 t-105 -155.57 149.12 25.05 Favored 'General case' 0 N--CA 1.474 0.746 0 C-N-CA 126.209 1.804 . . . . 0.0 110.197 -163.724 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 33.4 mtp -71.97 88.14 1.05 Allowed 'General case' 0 N--CA 1.474 0.774 0 N-CA-C 113.587 0.958 . . . . 0.0 113.587 -178.515 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 7.7 pt20 -70.77 -4.57 24.58 Favored 'General case' 0 N--CA 1.474 0.753 0 N-CA-C 115.558 1.688 . . . . 0.0 115.558 179.735 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 2.9 m 50.46 66.88 1.03 Allowed 'General case' 0 N--CA 1.477 0.879 0 C-N-CA 125.253 1.421 . . . . 0.0 111.406 -166.1 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 2.0 t -69.75 81.6 0.44 Allowed 'General case' 0 CA--C 1.541 0.612 0 C-N-CA 124.96 1.304 . . . . 0.0 111.502 -178.959 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 14.2 m-20 -70.28 145.56 51.2 Favored 'General case' 0 CA--C 1.536 0.441 0 C-N-CA 125.629 1.572 . . . . 0.0 113.878 157.02 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 21.2 t -72.93 19.17 0.09 Allowed 'General case' 0 N--CA 1.482 1.141 0 N-CA-C 115.857 1.799 . . . . 0.0 115.857 -172.118 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 15.9 pt-20 -105.34 -6.58 19.49 Favored 'General case' 0 N--CA 1.475 0.781 0 C-N-CA 125.986 1.714 . . . . 0.0 112.633 164.564 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 8.3 ttt180 -95.74 152.12 18.76 Favored 'General case' 0 N--CA 1.466 0.343 0 C-N-CA 125.09 1.356 . . . . 0.0 112.863 -165.835 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 4.8 ptpp? -64.23 93.01 0.09 Allowed 'General case' 0 CA--C 1.538 0.485 0 C-N-CA 125.194 1.397 . . . . 0.0 110.879 158.519 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 10.5 t -56.93 135.16 56.04 Favored 'General case' 0 CA--C 1.532 0.262 0 C-N-CA 124.007 0.923 . . . . 0.0 109.634 163.64 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 0.9 OUTLIER -50.52 -49.29 56.09 Favored 'General case' 0 CA--C 1.54 0.567 0 N-CA-C 115.78 1.77 . . . . 0.0 115.78 -164.882 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 15.1 mm-40 -107.48 -10.6 15.68 Favored 'General case' 0 N--CA 1.479 0.977 0 C-N-CA 123.61 0.764 . . . . 0.0 112.803 177.061 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 95.04 20.29 28.56 Favored Glycine 0 CA--C 1.535 1.341 0 C-N-CA 125.213 1.387 . . . . 0.0 116.041 -174.932 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -76.75 179.87 5.8 Favored 'General case' 0 CA--C 1.547 0.855 0 CA-C-N 119.005 1.403 . . . . 0.0 113.01 168.214 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -65.93 114.78 3.36 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.76 0 CA-C-O 122.351 1.072 . . . . 0.0 109.275 -179.094 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 41.8 t -76.21 117.88 18.36 Favored 'General case' 0 CA--C 1.544 0.729 0 C-N-CA 127.314 2.245 . . . . 0.0 111.832 -175.572 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 2.6 mpt_? -147.15 82.64 1.55 Allowed 'General case' 0 N--CA 1.489 1.478 0 C-N-CA 125.03 1.332 . . . . 0.0 112.063 174.792 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 78.8 mt 59.71 -14.11 0.03 OUTLIER 'General case' 0 N--CA 1.484 1.264 0 C-N-CA 126.723 2.009 . . . . 0.0 115.76 -172.297 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 26' ' ' TRP . . . . . . . . . . . . . 1.8 p-90 -151.31 175.9 11.77 Favored 'General case' 0 C--N 1.322 -0.619 0 C-N-CA 127.959 2.504 . . . . 0.0 110.226 170.875 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 29.5 m -120.98 42.42 3.05 Favored 'General case' 0 CA--C 1.541 0.599 0 C-N-CA 124.217 1.007 . . . . 0.0 110.308 160.817 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 62.2 tttm -44.1 -57.99 3.09 Favored 'General case' 0 N--CA 1.473 0.705 0 C-N-CA 129.967 3.307 . . . . 0.0 113.322 -168.526 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 4.6 ttmm -166.77 149.96 6.76 Favored 'General case' 0 N--CA 1.474 0.74 0 C-N-CA 125.063 1.345 . . . . 0.0 109.861 139.078 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 2.4 tmtp? -158.31 69.99 0.53 Allowed 'General case' 0 N--CA 1.479 1.007 0 C-N-CA 124.6 1.16 . . . . 0.0 110.504 166.951 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 3.3 tm? -153.43 120.45 5.74 Favored 'General case' 0 N--CA 1.466 0.358 0 C-N-CA 124.334 1.053 . . . . 0.0 109.198 171.05 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.486 HD22 ' OXT' ' A' ' 32' ' ' LEU . 0.0 OUTLIER . . . . . 0 C--O 1.211 -0.922 0 CA-C-O 121.645 0.736 . . . . 0.0 112.066 -172.934 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.472 1.074 0 CA-C-O 118.418 -1.212 . . . . 0.0 110.293 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 59.5 Cg_endo -65.64 -19.63 59.95 Favored 'Trans proline' 0 CA--C 1.54 0.793 0 C-N-CA 124.122 3.215 . . . . 0.0 114.503 -176.308 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 96.9 m-85 -129.27 176.45 7.92 Favored 'General case' 0 CA--C 1.537 0.46 0 C-N-CA 126.011 1.724 . . . . 0.0 110.402 174.875 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . 0.257 0.7 OUTLIER -124.3 -64.06 1.15 Allowed 'General case' 0 CA--C 1.539 0.524 0 N-CA-C 113.132 0.79 . . . . 0.0 113.132 175.001 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -59.56 -54.03 51.25 Favored 'General case' 0 N--CA 1.47 0.553 0 C-N-CA 123.765 0.826 . . . . 0.0 111.433 175.267 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 29.2 tttm -72.23 7.94 1.53 Allowed 'General case' 0 N--CA 1.472 0.649 0 C-N-CA 125.359 1.464 . . . . 0.0 113.931 178.061 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 7' ' ' TRP . . . . . . . . . . . . . 60.9 t-105 -126.13 -4.21 6.85 Favored 'General case' 0 N--CA 1.469 0.517 0 C-N-CA 125.658 1.583 . . . . 0.0 113.313 -171.655 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 59.3 mtm 57.25 56.59 5.04 Favored 'General case' 0 N--CA 1.473 0.685 0 O-C-N 121.507 -0.746 . . . . 0.0 112.462 -174.123 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 6.3 pt20 -58.63 33.85 0.01 OUTLIER 'General case' 0 CA--C 1.553 1.062 0 C-N-CA 129.459 3.104 . . . . 0.0 118.291 -177.393 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER 52.21 54.39 10.84 Favored 'General case' 0 N--CA 1.475 0.814 0 C-N-CA 125.176 1.39 . . . . 0.0 111.947 170.957 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -75.82 68.48 2.37 Favored 'General case' 0 CA--C 1.543 0.698 0 C-N-CA 126.642 1.977 . . . . 0.0 113.089 -160.903 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 21.5 m-20 -65.02 176.96 1.08 Allowed 'General case' 0 CA--C 1.544 0.723 0 C-N-CA 128.724 2.809 . . . . 0.0 117.285 173.86 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 37.1 t -60.09 -29.11 68.36 Favored 'General case' 0 N--CA 1.478 0.942 0 N-CA-C 114.51 1.3 . . . . 0.0 114.51 -177.901 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 6.9 tp10 -78.82 -26.33 44.22 Favored 'General case' 0 CA--C 1.542 0.642 0 CA-C-N 120.407 1.458 . . . . 0.0 112.536 173.519 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -85.56 107.98 17.74 Favored 'General case' 0 N--CA 1.463 0.207 0 CA-C-O 121.617 0.722 . . . . 0.0 112.003 -136.12 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 18.0 ptmt -40.43 100.87 0.02 OUTLIER 'General case' 0 N--CA 1.471 0.612 0 C-N-CA 127.808 2.443 . . . . 0.0 113.617 172.245 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 28.2 t -72.05 130.62 41.35 Favored 'General case' 0 CA--C 1.534 0.358 0 O-C-N 121.371 -0.831 . . . . 0.0 110.59 173.66 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -36.06 -51.03 0.73 Allowed 'General case' 0 CA--C 1.545 0.776 0 C-N-CA 128.777 2.831 . . . . 0.0 113.596 176.883 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 3.1 mm-40 -113.36 -1.5 14.21 Favored 'General case' 0 N--CA 1.474 0.77 0 C-N-CA 125.502 1.521 . . . . 0.0 113.054 -178.377 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 71.4 23.2 78.33 Favored Glycine 0 CA--C 1.535 1.334 0 O-C-N 120.497 -1.377 . . . . 0.0 115.997 -174.459 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 30.6 mmt -70.31 -177.13 1.35 Allowed 'General case' 0 N--CA 1.475 0.802 0 CA-C-N 119.387 1.594 . . . . 0.0 111.082 171.067 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 65.3 t -52.45 114.12 0.43 Allowed 'Isoleucine or valine' 0 N--CA 1.472 0.645 0 C-N-CA 125.144 1.377 . . . . 0.0 110.526 170.099 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 40.7 t -109.83 110.96 22.11 Favored 'General case' 0 C--O 1.237 0.396 0 C-N-CA 125.604 1.561 . . . . 0.0 109.357 -176.574 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 2.0 mpt_? -156.31 95.21 1.57 Allowed 'General case' 0 N--CA 1.481 1.085 0 C-N-CA 127.268 2.227 . . . . 0.0 109.411 171.996 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 18.9 mt 66.6 -32.66 0.18 Allowed 'General case' 0 N--CA 1.486 1.355 0 C-N-CA 126.832 2.053 . . . . 0.0 114.827 -171.656 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 26' ' ' TRP . . . . . . . . . . . . . 10.0 p-90 -140.02 174.42 10.53 Favored 'General case' 0 CA--C 1.538 0.506 0 C-N-CA 127.594 2.358 . . . . 0.0 111.769 170.827 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 8.9 t -153.23 80.0 1.18 Allowed 'General case' 0 CA--C 1.545 0.786 0 C-N-CA 123.793 0.837 . . . . 0.0 111.397 -178.191 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 1.2 mptm? -80.17 -84.62 0.09 Allowed 'General case' 0 N--CA 1.481 1.111 0 C-N-CA 124.38 1.072 . . . . 0.0 113.759 -171.705 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -162.45 137.04 6.7 Favored 'General case' 0 N--CA 1.472 0.666 0 C-N-CA 125.034 1.333 . . . . 0.0 109.941 177.831 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 4.6 tptt -163.85 44.47 0.11 Allowed 'General case' 0 N--CA 1.472 0.666 0 C-N-CA 124.644 1.178 . . . . 0.0 111.978 -179.564 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 24.8 tp -153.87 158.62 41.06 Favored 'General case' 0 N--CA 1.47 0.57 0 C-N-CA 124.384 1.074 . . . . 0.0 111.29 178.427 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 4.7 mp . . . . . 0 C--O 1.209 -1.04 0 N-CA-C 106.573 -1.64 . . . . 0.0 106.573 171.475 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.471 1.029 0 CA-C-O 119.158 -0.801 . . . . 0.0 112.37 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 25.4 Cg_endo -92.1 -1.59 4.16 Favored 'Trans proline' 0 CA--C 1.538 0.712 0 C-N-CA 124.526 3.484 . . . . 0.0 114.215 -169.78 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 3' ' ' TYR . . . . . . . . . . . . 0.407 0.9 OUTLIER -111.58 73.28 0.81 Allowed 'General case' 0 N--CA 1.463 0.179 0 C-N-CA 126.438 1.895 . . . . 0.0 115.02 -179.647 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -130.13 -58.87 1.06 Allowed 'General case' 0 CA--C 1.535 0.385 0 N-CA-C 113.526 0.935 . . . . 0.0 113.526 -170.882 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -64.26 -24.08 67.53 Favored 'General case' 0 CA--C 1.546 0.812 0 C-N-CA 125.503 1.521 . . . . 0.0 112.2 165.698 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 13.4 mmtt -77.96 -14.55 59.49 Favored 'General case' 0 CA--C 1.538 0.518 0 C-N-CA 127.465 2.306 . . . . 0.0 115.855 168.346 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 7' ' ' TRP . . . . . . . . . . . . . 26.7 t-105 -155.37 35.57 0.37 Allowed 'General case' 0 N--CA 1.477 0.91 0 CA-C-N 120.523 1.51 . . . . 0.0 114.992 -164.228 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 76.2 mtm 48.03 57.28 6.24 Favored 'General case' 0 CA--C 1.545 0.781 0 N-CA-C 115.048 1.499 . . . . 0.0 115.048 168.573 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 14.8 pt20 -60.04 8.22 0.02 OUTLIER 'General case' 0 N--CA 1.48 1.028 0 N-CA-C 118.971 2.952 . . . . 0.0 118.971 -161.352 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 9.8 m 56.36 74.22 0.41 Allowed 'General case' 0 N--CA 1.473 0.713 0 CA-C-N 120.172 1.351 . . . . 0.0 111.15 -161.528 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -76.16 72.33 2.95 Favored 'General case' 0 CA--C 1.538 0.499 0 O-C-N 121.303 -0.873 . . . . 0.0 111.644 172.426 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 72.3 m-20 -58.19 162.44 3.52 Favored 'General case' 0 CA--C 1.54 0.59 0 CA-C-N 114.968 -1.015 . . . . 0.0 110.892 153.264 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 5.4 t -56.59 -33.0 65.77 Favored 'General case' 0 N--CA 1.477 0.881 0 O-C-N 120.868 -1.145 . . . . 0.0 113.826 173.524 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 92.1 mt-10 -79.55 -4.78 52.97 Favored 'General case' 0 CA--C 1.546 0.809 0 N-CA-C 113.952 1.093 . . . . 0.0 113.952 175.86 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -82.24 132.78 35.23 Favored 'General case' 0 N--CA 1.469 0.482 0 O-C-N 120.327 -1.483 . . . . 0.0 111.472 -177.183 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 22.3 mtpp -70.92 94.26 1.05 Allowed 'General case' 0 N--CA 1.467 0.419 0 C-N-CA 124.327 1.051 . . . . 0.0 110.997 166.583 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 52.9 t -61.34 126.34 26.99 Favored 'General case' 0 CA--C 1.534 0.351 0 C-N-CA 123.342 0.657 . . . . 0.0 110.418 179.939 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -40.15 -50.7 2.67 Favored 'General case' 0 N--CA 1.471 0.59 0 C-N-CA 126.238 1.815 . . . . 0.0 113.962 -169.621 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -127.46 15.13 7.13 Favored 'General case' 0 CA--C 1.553 1.072 0 C-N-CA 125.303 1.441 . . . . 0.0 112.007 175.79 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 70.04 -12.4 1.69 Allowed Glycine 0 CA--C 1.543 1.807 0 O-C-N 119.838 -1.788 . . . . 0.0 116.836 -170.39 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 21' ' ' MET . . . . . 0.473 ' SD ' ' HA ' ' A' ' 29' ' ' LYS . 8.3 ptp -67.46 107.82 2.59 Favored 'General case' 0 CA--C 1.544 0.719 0 O-C-N 120.549 -1.56 . . . . 0.0 114.363 178.197 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . 0.311 1.0 OUTLIER 68.62 48.0 0.11 Allowed 'Isoleucine or valine' 0 N--CA 1.479 1.025 0 N-CA-C 118.113 2.635 . . . . 0.0 118.113 171.156 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 49.9 t -69.18 84.78 0.36 Allowed 'General case' 0 N--CA 1.477 0.88 0 CA-C-N 120.422 1.464 . . . . 0.0 113.537 -179.579 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -145.04 87.69 1.84 Allowed 'General case' 0 N--CA 1.478 0.964 0 C-N-CA 126.668 1.987 . . . . 0.0 110.096 175.384 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 44.1 mt 62.72 -18.45 0.05 OUTLIER 'General case' 0 N--CA 1.482 1.152 0 C-N-CA 126.655 1.982 . . . . 0.0 115.465 -167.624 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 26' ' ' TRP . . . . . . . . . . . . . 3.4 p-90 -151.28 -166.55 2.56 Favored 'General case' 0 C--N 1.326 -0.452 0 C-N-CA 126.294 1.838 . . . . 0.0 110.975 172.821 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 94.7 m -142.0 136.77 30.61 Favored 'General case' 0 CA--C 1.539 0.532 0 C-N-CA 125.547 1.539 . . . . 0.0 108.378 173.667 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 3.6 tmtm? -120.16 -97.14 0.46 Allowed 'General case' 0 N--CA 1.482 1.164 0 C-N-CA 124.086 0.954 . . . . 0.0 112.145 -168.731 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . 0.473 ' HA ' ' SD ' ' A' ' 21' ' ' MET . 39.9 tttm -164.64 131.55 3.06 Favored 'General case' 0 N--CA 1.477 0.917 0 C-N-CA 125.902 1.681 . . . . 0.0 109.724 176.588 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -155.26 32.45 0.38 Allowed 'General case' 0 N--CA 1.483 1.201 0 N-CA-C 116.662 2.097 . . . . 0.0 116.662 -166.896 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 4.2 mm? -113.78 164.82 13.23 Favored 'General case' 0 N--CA 1.467 0.402 0 C-N-CA 125.302 1.441 . . . . 0.0 109.613 166.396 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 85.2 mt . . . . . 0 C--O 1.213 -0.865 0 CA-C-O 123.667 1.698 . . . . 0.0 108.575 -169.45 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.473 1.155 0 CA-C-O 118.438 -1.201 . . . . 0.0 110.578 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 6.0 Cg_endo -104.05 -123.79 0.0 OUTLIER 'Trans proline' 0 CA--C 1.542 0.897 0 C-N-CA 124.653 3.569 . . . . 0.0 109.907 -172.813 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 3' ' ' TYR . . . . . . . . . . . . 0.388 71.3 m-85 61.28 34.94 18.37 Favored 'General case' 0 N--CA 1.468 0.468 0 N-CA-C 117.653 2.464 . . . . 0.0 117.653 173.386 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 0.9 OUTLIER -128.77 -54.39 1.23 Allowed 'General case' 0 CA--C 1.548 0.88 0 N-CA-C 116.168 1.914 . . . . 0.0 116.168 -162.835 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -63.1 -27.79 69.63 Favored 'General case' 0 N--CA 1.479 0.991 0 O-C-N 120.239 -1.538 . . . . 0.0 113.095 178.943 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 75.3 tttt -76.46 -18.59 58.7 Favored 'General case' 0 CA--C 1.542 0.67 0 C-N-CA 124.058 0.943 . . . . 0.0 113.42 173.576 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 7' ' ' TRP . . . . . . . . . . . . . 8.4 t-105 -152.05 52.42 0.8 Allowed 'General case' 0 CA--C 1.556 1.188 0 CA-C-N 119.643 1.11 . . . . 0.0 113.433 -144.354 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 62.3 mtt 50.56 45.51 26.59 Favored 'General case' 0 N--CA 1.49 1.571 0 N-CA-C 116.298 1.962 . . . . 0.0 116.298 161.093 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -70.72 24.96 0.04 OUTLIER 'General case' 0 CA--C 1.549 0.94 0 N-CA-C 119.927 3.306 . . . . 0.0 119.927 -160.164 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 16.4 m 44.55 57.13 4.63 Favored 'General case' 0 N--CA 1.48 1.049 0 C-N-CA 124.961 1.304 . . . . 0.0 113.474 174.195 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 5.2 t -75.86 80.61 2.77 Favored 'General case' 0 CA--C 1.54 0.575 0 C-N-CA 125.457 1.503 . . . . 0.0 112.341 -173.986 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 52.5 m-20 -66.63 166.1 13.52 Favored 'General case' 0 CA--C 1.543 0.689 0 N-CA-C 116.1 1.889 . . . . 0.0 116.1 164.469 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 26.8 t -59.16 -33.65 71.16 Favored 'General case' 0 N--CA 1.477 0.894 0 N-CA-C 115.232 1.567 . . . . 0.0 115.232 -177.816 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 25.4 mm-40 -74.45 -23.38 58.9 Favored 'General case' 0 N--CA 1.477 0.902 0 O-C-N 120.627 -1.296 . . . . 0.0 114.276 170.735 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -92.24 134.87 34.48 Favored 'General case' 0 N--CA 1.463 0.188 0 C-N-CA 123.789 0.835 . . . . 0.0 111.958 -149.669 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 20.6 ptmt -63.69 129.09 38.7 Favored 'General case' 0 N--CA 1.468 0.463 0 C-N-CA 123.725 0.81 . . . . 0.0 111.287 -177.946 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 48.0 t -95.52 124.93 39.79 Favored 'General case' 0 CA--C 1.533 0.323 0 C-N-CA 123.794 0.838 . . . . 0.0 109.811 178.141 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -48.38 -56.04 9.2 Favored 'General case' 0 CA--C 1.539 0.527 0 N-CA-C 114.919 1.452 . . . . 0.0 114.919 -156.368 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 1.7 mm-40 -111.47 27.72 9.41 Favored 'General case' 0 N--CA 1.478 0.927 0 C-N-CA 124.955 1.302 . . . . 0.0 110.592 174.262 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 61.68 31.01 76.43 Favored Glycine 0 CA--C 1.535 1.329 0 O-C-N 120.039 -1.663 . . . . 0.0 113.328 -170.692 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 19.0 mmt -80.64 -157.27 0.15 Allowed 'General case' 0 CA--C 1.547 0.844 0 C-N-CA 126.152 1.781 . . . . 0.0 113.231 -173.374 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 2.5 t -71.24 74.49 0.17 Allowed 'Isoleucine or valine' 0 CA--C 1.54 0.586 0 C-N-CA 126.443 1.897 . . . . 0.0 114.866 -176.489 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 41.9 t -66.05 91.37 0.15 Allowed 'General case' 0 CA--C 1.549 0.916 0 N-CA-C 114.184 1.179 . . . . 0.0 114.184 -176.689 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 2.6 mpt_? -148.9 87.07 1.53 Allowed 'General case' 0 N--CA 1.483 1.197 0 C-N-CA 126.889 2.076 . . . . 0.0 109.499 165.52 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 77.7 mt 59.97 -67.89 0.04 OUTLIER 'General case' 0 N--CA 1.479 1.011 0 C-N-CA 126.252 1.821 . . . . 0.0 112.896 -161.449 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 26' ' ' TRP . . . . . . . . . . . . . 0.5 OUTLIER -70.8 169.94 13.56 Favored 'General case' 0 CA--C 1.54 0.56 0 O-C-N 120.601 -1.312 . . . . 0.0 113.444 167.391 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 17.0 m -134.54 50.4 2.18 Favored 'General case' 0 N--CA 1.467 0.408 0 C-N-CA 126.635 1.974 . . . . 0.0 109.175 164.466 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 27.9 pttt -57.83 146.52 31.43 Favored 'General case' 0 N--CA 1.469 0.479 0 C-N-CA 125.72 1.608 . . . . 0.0 111.745 -179.54 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 40.9 mtpt -56.05 112.84 1.31 Allowed 'General case' 0 N--CA 1.469 0.494 0 C-N-CA 124.226 1.01 . . . . 0.0 112.279 177.076 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 10.1 tmtt? -154.47 82.78 1.11 Allowed 'General case' 0 N--CA 1.474 0.743 0 C-N-CA 125.439 1.496 . . . . 0.0 109.104 165.16 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 7.0 tt -143.26 135.98 27.58 Favored 'General case' 0 C--N 1.329 -0.283 0 C-N-CA 124.82 1.248 . . . . 0.0 109.862 175.495 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 91.1 mt . . . . . 0 C--O 1.206 -1.22 0 O-C-N 121.604 -0.685 . . . . 0.0 109.282 -175.998 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.468 0.783 0 N-CA-C 110.449 -1.061 . . . . 0.0 110.449 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 91.9 Cg_endo -75.58 -164.13 0.23 Allowed 'Trans proline' 0 CA--C 1.546 1.092 0 C-N-CA 124.298 3.332 . . . . 0.0 113.546 -172.569 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 3' ' ' TYR . . . . . . . . . . . . 0.458 45.6 m-85 64.21 63.19 0.8 Allowed 'General case' 0 N--CA 1.465 0.301 0 N-CA-C 118.103 2.631 . . . . 0.0 118.103 -179.527 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -128.16 -72.11 0.63 Allowed 'General case' 0 CA--C 1.536 0.423 0 C-N-CA 124.109 0.964 . . . . 0.0 111.717 179.471 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -54.43 -44.83 72.8 Favored 'General case' 0 N--CA 1.474 0.766 0 O-C-N 121.102 -0.999 . . . . 0.0 111.974 179.375 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 45.7 tttm -62.95 -16.14 58.27 Favored 'General case' 0 CA--C 1.544 0.714 0 N-CA-C 115.16 1.541 . . . . 0.0 115.16 -179.489 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 7' ' ' TRP . . . . . . . . . . . . . 17.1 t90 -141.31 9.2 2.06 Favored 'General case' 0 CA--C 1.547 0.852 0 N-CA-C 113.66 0.985 . . . . 0.0 113.66 -160.506 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 8' ' ' MET . . . . . . . . . . . . 0.276 86.7 mtp 67.14 -15.33 0.16 Allowed 'General case' 0 N--CA 1.481 1.087 0 N-CA-C 117.992 2.59 . . . . 0.0 117.992 167.395 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 9' ' ' GLN . . . . . 0.407 ' OE1' ' SG ' ' A' ' 17' ' ' CYS . 0.0 OUTLIER 57.17 -6.69 0.03 OUTLIER 'General case' 0 N--CA 1.486 1.36 1 N-CA-C 122.854 4.39 . . . . 0.0 122.854 132.739 . . . . . . . . 4 4 . 1 . 006 nuclear nobuild full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER 54.5 66.62 1.18 Allowed 'General case' 0 N--CA 1.478 0.927 0 CA-C-N 120.361 1.437 . . . . 0.0 111.596 -175.712 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 51.7 t -73.15 53.65 0.38 Allowed 'General case' 0 CA--C 1.55 0.973 0 O-C-N 119.916 -1.74 . . . . 0.0 114.289 -179.502 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 70.5 m-20 -56.36 165.74 1.01 Allowed 'General case' 0 CA--C 1.539 0.532 0 N-CA-C 115.611 1.708 . . . . 0.0 115.611 167.96 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 16.0 t -60.51 -13.78 15.85 Favored 'General case' 0 CA--C 1.542 0.67 0 C-N-CA 125.513 1.525 . . . . 0.0 114.219 -178.888 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 91.2 mt-10 -109.21 3.69 22.04 Favored 'General case' 0 N--CA 1.476 0.856 0 C-N-CA 125.822 1.649 . . . . 0.0 113.444 179.414 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 2.0 mmt85 -103.57 149.77 24.57 Favored 'General case' 0 N--CA 1.472 0.649 0 C-N-CA 126.571 1.949 . . . . 0.0 112.429 -175.528 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 10.4 pttm -60.14 163.53 4.8 Favored 'General case' 0 N--CA 1.474 0.755 0 CA-C-O 121.673 0.749 . . . . 0.0 110.186 160.541 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 17' ' ' CYS . . . . . 0.407 ' SG ' ' OE1' ' A' ' 9' ' ' GLN . 0.6 OUTLIER -139.69 29.91 2.11 Favored 'General case' 0 CA--C 1.543 0.693 0 N-CA-C 115.693 1.738 . . . . 0.0 115.693 175.125 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 1.8 m 60.23 -78.07 0.02 OUTLIER 'General case' 0 N--CA 1.469 0.516 0 C-N-CA 128.186 2.594 . . . . 0.0 113.65 -175.243 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -104.69 -175.12 2.7 Favored 'General case' 0 CA--C 1.551 1.002 0 C-N-CA 125.359 1.464 . . . . 0.0 111.854 177.571 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -80.55 1.64 81.59 Favored Glycine 0 CA--C 1.538 1.491 0 O-C-N 120.706 -1.246 . . . . 0.0 114.435 169.966 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 38.8 mmt -53.22 157.89 1.76 Allowed 'General case' 0 N--CA 1.466 0.366 0 C-N-CA 126.421 1.888 . . . . 0.0 113.863 178.506 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 30.1 t -45.95 119.85 0.53 Allowed 'Isoleucine or valine' 0 N--CA 1.471 0.617 0 C-N-CA 124.923 1.289 . . . . 0.0 112.026 -178.493 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 23' ' ' CYS . . . . . 0.415 ' HB2' ' SG ' ' A' ' 27' ' ' CYS . 43.9 t -106.09 109.21 21.08 Favored 'General case' 0 CA--C 1.538 0.498 0 C-N-CA 123.243 0.617 . . . . 0.0 111.687 171.596 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 1.8 mpt_? -140.44 108.25 5.67 Favored 'General case' 0 N--CA 1.471 0.621 0 C-N-CA 125.107 1.363 . . . . 0.0 108.845 157.805 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 3.9 mp 61.07 -38.57 0.1 Allowed 'General case' 0 N--CA 1.483 1.192 0 C-N-CA 127.478 2.311 . . . . 0.0 115.595 -161.688 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 26' ' ' TRP . . . . . . . . . . . . . 2.4 p-90 -115.68 -161.2 0.78 Allowed 'General case' 0 N--CA 1.471 0.619 0 C-N-CA 126.218 1.807 . . . . 0.0 113.752 -176.294 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 27' ' ' CYS . . . . . 0.415 ' SG ' ' HB2' ' A' ' 23' ' ' CYS . 1.4 m -135.53 134.93 39.97 Favored 'General case' 0 C--N 1.328 -0.363 0 O-C-N 118.798 -2.439 . . . . 0.0 107.863 141.965 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 67.2 mmtt -148.01 148.32 30.59 Favored 'General case' 0 N--CA 1.472 0.647 0 C-N-CA 124.026 0.931 . . . . 0.0 112.366 -174.43 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 35.3 mttt -76.24 104.58 6.83 Favored 'General case' 0 N--CA 1.467 0.387 0 N-CA-C 113.397 0.888 . . . . 0.0 113.397 -160.437 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 31.1 tttt -148.96 108.86 4.05 Favored 'General case' 0 N--CA 1.468 0.475 0 C-N-CA 126.529 1.932 . . . . 0.0 108.302 167.206 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 6.3 tp -148.37 30.36 0.84 Allowed 'General case' 0 N--CA 1.474 0.773 0 C-N-CA 124.489 1.116 . . . . 0.0 112.067 179.612 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--O 1.213 -0.853 0 CA-C-O 123.611 1.672 . . . . 0.0 110.498 -173.188 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.472 1.079 0 N-CA-C 108.675 -1.77 . . . . 0.0 108.675 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 55.4 Cg_endo -66.28 179.4 2.0 Allowed 'Trans proline' 0 CA--C 1.539 0.757 0 CA-C-N 118.419 1.11 . . . . 0.0 110.623 146.403 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 86.5 m-85 -112.06 -149.34 0.44 Allowed 'General case' 0 CA--C 1.539 0.531 0 C-N-CA 125.333 1.453 . . . . 0.0 110.563 158.684 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 0.9 OUTLIER -146.98 -51.87 0.21 Allowed 'General case' 0 CA--C 1.539 0.522 0 CA-C-N 120.927 1.694 . . . . 0.0 114.29 175.103 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 1.7 pm0 -66.81 -29.82 69.86 Favored 'General case' 0 CA--C 1.536 0.424 0 C-N-CA 125.832 1.653 . . . . 0.0 112.296 167.954 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 75.4 tttt -103.57 9.51 37.42 Favored 'General case' 0 CA--C 1.542 0.641 0 C-N-CA 126.856 2.062 . . . . 0.0 112.519 177.675 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 7' ' ' TRP . . . . . . . . . . . . . 1.1 t-105 -141.91 3.74 1.63 Allowed 'General case' 0 N--CA 1.479 0.979 0 C-N-CA 124.486 1.114 . . . . 0.0 112.425 -170.861 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 56.8 mtt 57.18 57.65 4.39 Favored 'General case' 0 CA--C 1.542 0.671 0 C-N-CA 126.773 2.029 . . . . 0.0 115.401 169.922 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -65.72 38.03 0.02 OUTLIER 'General case' 0 CA--C 1.56 1.358 0 N-CA-C 117.989 2.589 . . . . 0.0 117.989 -174.395 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 14.3 m 46.23 57.92 4.91 Favored 'General case' 0 N--CA 1.492 1.654 0 CA-C-N 121.107 1.776 . . . . 0.0 113.056 171.806 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 1.5 t -77.9 87.06 4.1 Favored 'General case' 0 CA--C 1.54 0.565 0 C-N-CA 123.968 0.907 . . . . 0.0 111.891 -166.568 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 12.8 m-20 -107.13 -169.86 1.61 Allowed 'General case' 0 CA--C 1.547 0.84 0 C-N-CA 127.374 2.269 . . . . 0.0 109.779 -178.858 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 45.0 t -50.7 -42.09 56.66 Favored 'General case' 0 N--CA 1.479 1.023 0 N-CA-C 114.608 1.336 . . . . 0.0 114.608 177.915 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 77.8 mm-40 -92.08 -7.26 49.18 Favored 'General case' 0 N--CA 1.469 0.508 0 N-CA-C 114.708 1.373 . . . . 0.0 114.708 -175.067 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 4.9 mmt85 -86.56 149.33 25.02 Favored 'General case' 0 N--CA 1.473 0.713 0 CA-C-N 119.805 1.184 . . . . 0.0 112.679 -177.132 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 58.3 mttp -98.27 106.02 18.24 Favored 'General case' 0 N--CA 1.468 0.441 0 C-N-CA 126.201 1.801 . . . . 0.0 109.602 -175.535 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 8.0 t -70.65 91.43 0.81 Allowed 'General case' 0 CA--C 1.538 0.517 0 C-N-CA 123.186 0.594 . . . . 0.0 111.092 -168.978 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 5.7 t 11.58 -69.12 0.0 OUTLIER 'General case' 0 CA--C 1.537 0.45 0 C-N-CA 131.392 3.877 . . . . 0.0 117.719 166.624 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 88.2 mt-10 -131.89 32.17 4.11 Favored 'General case' 0 N--CA 1.469 0.507 0 C-N-CA 126.362 1.865 . . . . 0.0 111.623 -171.662 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 65.55 26.12 71.77 Favored Glycine 0 CA--C 1.534 1.228 0 O-C-N 121.452 -0.78 . . . . 0.0 114.434 177.161 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 18.6 mmt -87.31 -171.55 3.53 Favored 'General case' 0 CA--C 1.545 0.76 0 C-N-CA 125.176 1.391 . . . . 0.0 111.707 -176.927 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 58.0 t -64.58 131.7 30.34 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.701 0 C-N-CA 124.732 1.213 . . . . 0.0 109.464 172.147 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 33.8 t -111.6 82.0 1.54 Allowed 'General case' 0 CA--C 1.54 0.559 0 C-N-CA 124.592 1.157 . . . . 0.0 111.201 -178.172 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 4.1 mpt_? -135.09 104.17 5.83 Favored 'General case' 0 N--CA 1.476 0.834 0 C-N-CA 125.317 1.447 . . . . 0.0 109.651 175.311 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 5.8 mp 61.77 -27.52 0.06 Allowed 'General case' 0 N--CA 1.479 0.994 0 C-N-CA 127.057 2.143 . . . . 0.0 114.738 -169.669 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 26' ' ' TRP . . . . . . . . . . . . . 0.1 OUTLIER -155.26 171.97 18.95 Favored 'General case' 0 C--N 1.325 -0.48 0 C-N-CA 127.551 2.34 . . . . 0.0 110.441 -177.871 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 16.2 t -107.48 43.86 1.14 Allowed 'General case' 0 CA--C 1.544 0.722 0 C-N-CA 123.988 0.915 . . . . 0.0 111.348 178.807 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 3.0 mmmp? -59.11 139.93 56.37 Favored 'General case' 0 N--CA 1.479 0.977 0 C-N-CA 123.885 0.874 . . . . 0.0 110.972 -175.256 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 59.2 mtpt -60.88 131.44 50.68 Favored 'General case' 0 N--CA 1.475 0.819 0 C-N-CA 123.339 0.656 . . . . 0.0 111.176 -177.547 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -152.82 31.98 0.5 Allowed 'General case' 0 N--CA 1.477 0.881 0 N-CA-C 113.013 0.746 . . . . 0.0 113.013 -165.588 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 44.2 tp -138.37 145.87 41.6 Favored 'General case' 0 CA--C 1.534 0.363 0 N-CA-C 113.145 0.794 . . . . 0.0 113.145 -157.746 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 59.0 mt . . . . . 0 C--O 1.212 -0.882 0 N-CA-C 107.235 -1.394 . . . . 0.0 107.235 162.767 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.465 0.623 0 CA-C-O 118.088 -1.396 . . . . 0.0 111.081 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 66.8 Cg_endo -71.59 -179.34 3.63 Favored 'Trans proline' 0 CA--C 1.54 0.819 0 C-N-CA 122.988 2.459 . . . . 0.0 110.881 163.284 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -141.0 131.84 25.88 Favored 'General case' 0 CA--C 1.533 0.297 0 N-CA-C 105.324 -2.102 . . . . 0.0 105.324 -164.698 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -38.37 -49.33 1.42 Allowed 'General case' 0 CA--C 1.548 0.876 0 C-N-CA 128.153 2.581 . . . . 0.0 114.488 169.889 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -66.78 -54.21 25.06 Favored 'General case' 0 CA--C 1.539 0.549 0 C-N-CA 124.643 1.177 . . . . 0.0 111.464 179.634 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 11.3 mttp -72.76 3.22 5.38 Favored 'General case' 0 N--CA 1.474 0.749 0 N-CA-C 115.814 1.783 . . . . 0.0 115.814 -178.54 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 7' ' ' TRP . . . . . . . . . . . . 0.278 32.9 m95 -131.87 13.57 4.82 Favored 'General case' 0 N--CA 1.47 0.529 0 N-CA-C 116.903 2.186 . . . . 0.0 116.903 172.947 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 5.9 mtt 56.69 55.69 6.13 Favored 'General case' 0 N--CA 1.478 0.948 0 N-CA-C 113.914 1.079 . . . . 0.0 113.914 174.452 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 4.1 pt20 -58.62 5.5 0.02 OUTLIER 'General case' 0 CA--C 1.551 1.017 0 N-CA-C 120.239 3.422 . . . . 0.0 120.239 -168.959 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 5.0 m 56.91 71.52 0.57 Allowed 'General case' 0 N--CA 1.479 0.999 0 O-C-N 120.363 -1.461 . . . . 0.0 112.587 -163.141 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 9.0 t -74.3 79.52 1.84 Allowed 'General case' 0 CA--C 1.541 0.633 0 O-C-N 121.15 -0.969 . . . . 0.0 111.297 -176.606 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 81.2 m-20 -70.99 163.81 26.81 Favored 'General case' 0 CA--C 1.534 0.343 0 C-N-CA 125.557 1.543 . . . . 0.0 114.326 174.357 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 8.7 t -61.68 -16.6 50.22 Favored 'General case' 0 N--CA 1.472 0.629 0 O-C-N 121.089 -1.007 . . . . 0.0 112.807 173.763 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 46.2 mt-10 -105.22 21.44 17.13 Favored 'General case' 0 CA--C 1.548 0.901 0 C-N-CA 125.493 1.517 . . . . 0.0 113.467 170.881 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 18.4 tpp85 -118.94 136.95 53.81 Favored 'General case' 0 N--CA 1.481 1.116 0 O-C-N 120.121 -1.612 . . . . 0.0 112.251 -174.901 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 66.1 mmtt -72.5 161.06 31.3 Favored 'General case' 0 N--CA 1.48 1.037 0 C-N-CA 125.436 1.494 . . . . 0.0 111.204 171.581 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 32.8 t -135.9 148.07 48.42 Favored 'General case' 0 CA--C 1.542 0.642 0 CA-C-O 122.559 1.171 . . . . 0.0 112.868 166.042 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 28.6 m -51.93 -34.57 42.42 Favored 'General case' 0 CA--C 1.537 0.461 0 C-N-CA 127.566 2.346 . . . . 0.0 114.286 -178.353 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -123.55 -31.45 3.49 Favored 'General case' 0 CA--C 1.542 0.644 0 C-N-CA 125.412 1.485 . . . . 0.0 112.894 170.623 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 94.06 63.07 1.05 Allowed Glycine 0 CA--C 1.529 0.926 0 O-C-N 120.988 -1.07 . . . . 0.0 112.98 178.686 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 50.2 mmm -115.09 -162.54 0.83 Allowed 'General case' 0 CA--C 1.539 0.526 0 C-N-CA 125.011 1.325 . . . . 0.0 111.134 -170.109 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 5.1 t -58.32 131.2 22.34 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.79 0 O-C-N 120.908 -1.12 . . . . 0.0 111.834 178.344 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 44.6 t -142.62 93.92 2.58 Favored 'General case' 0 CA--C 1.546 0.79 0 C-N-CA 123.962 0.905 . . . . 0.0 112.005 -151.171 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . 0.421 ' C ' ' H ' ' A' ' 26' ' ' TRP . 0.9 OUTLIER -161.97 129.26 3.91 Favored 'General case' 0 N--CA 1.493 1.695 0 C-N-CA 128.456 2.702 . . . . 0.0 106.485 164.841 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 5.9 mp 58.64 -17.9 0.02 OUTLIER 'General case' 0 N--CA 1.488 1.441 0 C-N-CA 126.87 2.068 . . . . 0.0 115.527 -175.661 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 26' ' ' TRP . . . . . 0.421 ' H ' ' C ' ' A' ' 24' ' ' ARG . 4.1 p-90 -157.41 166.97 31.6 Favored 'General case' 0 C--N 1.327 -0.41 0 C-N-CA 130.516 3.527 . . . . 0.0 109.899 -177.074 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 49.8 t -115.72 125.29 52.61 Favored 'General case' 0 CA--C 1.533 0.321 0 N-CA-C 107.332 -1.358 . . . . 0.0 107.332 162.575 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 31.4 mmmt -137.9 135.59 36.26 Favored 'General case' 0 N--CA 1.478 0.929 0 C-N-CA 124.272 1.029 . . . . 0.0 111.139 -171.644 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 15.3 mtpp -69.3 134.9 49.7 Favored 'General case' 0 N--CA 1.471 0.59 0 C-N-CA 123.833 0.853 . . . . 0.0 111.65 -179.707 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 5.3 tptm -154.63 43.25 0.5 Allowed 'General case' 0 N--CA 1.473 0.704 0 C-N-CA 124.462 1.105 . . . . 0.0 110.937 -179.368 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 13.7 tp -145.69 133.2 20.82 Favored 'General case' 0 CA--C 1.538 0.492 0 C-N-CA 124.629 1.172 . . . . 0.0 111.929 -168.991 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 4.0 pp . . . . . 0 C--O 1.208 -1.097 0 C-N-CA 123.526 0.73 . . . . 0.0 110.437 177.347 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.47 0.941 0 N-CA-C 109.614 -1.394 . . . . 0.0 109.614 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 38.0 Cg_endo -66.7 128.87 19.8 Favored 'Trans proline' 0 CA--C 1.537 0.639 0 C-N-CA 123.489 2.792 . . . . 0.0 113.347 -175.7 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 3' ' ' TYR . . . . . . . . . . . . 0.339 47.3 m-85 -122.11 69.03 0.94 Allowed 'General case' 0 N--CA 1.462 0.142 0 C-N-CA 126.501 1.921 . . . . 0.0 114.315 168.635 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 7.4 p -133.59 -73.08 0.49 Allowed 'General case' 0 CA--C 1.54 0.565 0 C-N-CA 124.524 1.129 . . . . 0.0 112.226 -168.751 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 1.2 pm0 -62.2 -50.49 71.6 Favored 'General case' 0 N--CA 1.47 0.533 0 CA-C-N 119.028 0.831 . . . . 0.0 109.893 171.258 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 15.2 mtpp -66.15 -1.21 3.01 Favored 'General case' 0 N--CA 1.473 0.699 0 C-N-CA 125.838 1.655 . . . . 0.0 114.958 177.076 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 7' ' ' TRP . . . . . . . . . . . . . 54.9 t90 -136.37 17.45 3.16 Favored 'General case' 0 CA--C 1.541 0.603 0 C-N-CA 124.601 1.16 . . . . 0.0 113.333 -177.509 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 41.7 mtt 57.31 56.53 5.05 Favored 'General case' 0 CA--C 1.543 0.674 0 N-CA-C 113.791 1.034 . . . . 0.0 113.791 170.078 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 15.9 pt20 -56.86 25.17 0.0 OUTLIER 'General case' 0 CA--C 1.558 1.259 0 N-CA-C 120.4 3.482 . . . . 0.0 120.4 -167.815 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 27.6 m 57.73 57.7 4.09 Favored 'General case' 0 N--CA 1.487 1.394 0 CA-C-N 122.14 2.245 . . . . 0.0 112.742 178.649 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -79.97 70.35 6.53 Favored 'General case' 0 CA--C 1.538 0.505 0 C-N-CA 124.766 1.227 . . . . 0.0 112.956 -174.229 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 15.6 m-20 -87.09 -171.33 3.45 Favored 'General case' 0 CA--C 1.543 0.709 0 C-N-CA 125.33 1.452 . . . . 0.0 114.18 153.405 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 29.8 p -69.01 34.39 0.03 OUTLIER 'General case' 0 N--CA 1.479 0.998 0 N-CA-C 116.637 2.088 . . . . 0.0 116.637 -179.935 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 49.6 mm-40 -140.48 42.74 1.88 Allowed 'General case' 0 C--O 1.238 0.464 0 C-N-CA 126.821 2.048 . . . . 0.0 111.903 176.577 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 15' ' ' ARG . . . . . 0.452 ' HE ' ' HA ' ' A' ' 15' ' ' ARG . 0.4 OUTLIER -136.21 125.18 24.25 Favored 'General case' 0 N--CA 1.474 0.753 0 N-CA-C 117.144 2.276 . . . . 0.0 117.144 -168.606 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 18.6 ptmt -63.68 66.6 0.02 OUTLIER 'General case' 0 CA--C 1.542 0.666 0 C-N-CA 127.148 2.179 . . . . 0.0 112.84 145.862 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 48.7 t -56.87 122.04 11.29 Favored 'General case' 0 C--O 1.237 0.436 0 O-C-N 120.528 -1.357 . . . . 0.0 109.587 175.91 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 14.7 m -67.55 -13.85 62.42 Favored 'General case' 0 CA--C 1.542 0.648 0 N-CA-C 113.535 0.939 . . . . 0.0 113.535 -167.416 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 62.1 mm-40 -138.91 171.59 14.1 Favored 'General case' 0 CA--C 1.545 0.776 0 C-N-CA 125.782 1.633 . . . . 0.0 111.532 179.178 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -86.87 -8.84 75.45 Favored Glycine 0 CA--C 1.534 1.268 0 C-N-CA 125.395 1.474 . . . . 0.0 115.646 -174.733 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 15.3 ptp -58.61 -163.33 0.0 OUTLIER 'General case' 0 CA--C 1.547 0.862 0 C-N-CA 128.976 2.91 . . . . 0.0 113.934 172.441 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 2.7 t -50.48 142.83 2.71 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.869 0 O-C-N 120.989 -1.069 . . . . 0.0 113.131 179.322 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 41.4 t -132.97 79.04 1.82 Allowed 'General case' 0 N--CA 1.466 0.329 0 C-N-CA 124.465 1.106 . . . . 0.0 109.245 164.526 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 3.1 mpt_? -144.41 112.08 6.16 Favored 'General case' 0 N--CA 1.467 0.4 0 C-N-CA 125.881 1.672 . . . . 0.0 108.143 171.861 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 3.9 mp 60.18 -32.46 0.06 Allowed 'General case' 0 CA--C 1.548 0.873 0 C-N-CA 126.658 1.983 . . . . 0.0 114.978 -166.434 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 26' ' ' TRP . . . . . 0.424 ' CZ3' ' HE2' ' A' ' 28' ' ' LYS . 0.1 OUTLIER -153.44 172.11 17.62 Favored 'General case' 0 C--N 1.328 -0.326 0 C-N-CA 126.579 1.952 . . . . 0.0 113.291 -173.072 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 69.7 m -114.17 90.14 3.27 Favored 'General case' 0 CA--C 1.535 0.404 0 C-N-CA 125.234 1.414 . . . . 0.0 110.017 171.176 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . 0.424 ' HE2' ' CZ3' ' A' ' 26' ' ' TRP . 0.0 OUTLIER -132.94 160.22 37.7 Favored 'General case' 0 N--CA 1.477 0.9 0 C-N-CA 124.474 1.109 . . . . 0.0 111.418 175.286 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 33.6 mttm -67.24 130.51 43.31 Favored 'General case' 0 N--CA 1.468 0.47 0 C-N-CA 123.664 0.786 . . . . 0.0 111.534 -168.831 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 11.8 tppt? -162.94 96.06 0.89 Allowed 'General case' 0 N--CA 1.469 0.494 0 C-N-CA 125.675 1.59 . . . . 0.0 108.186 162.853 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 57.2 tp -155.23 -31.38 0.1 Allowed 'General case' 0 N--CA 1.47 0.569 0 N-CA-C 113.492 0.923 . . . . 0.0 113.492 -176.143 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 47.8 mt . . . . . 0 C--O 1.212 -0.897 0 O-C-N 121.048 -1.033 . . . . 0.0 109.714 -167.548 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.474 1.181 0 CA-C-O 118.402 -1.221 . . . . 0.0 111.188 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 86.1 Cg_endo -75.91 101.05 1.44 Allowed 'Trans proline' 0 N--CA 1.457 -0.62 0 C-N-CA 122.962 2.441 . . . . 0.0 110.601 -177.786 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 3' ' ' TYR . . . . . . . . . . . . 0.253 38.1 m-85 -53.25 127.95 26.34 Favored 'General case' 0 CA--C 1.538 0.483 0 N-CA-C 117.418 2.377 . . . . 0.0 117.418 -176.802 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 36.7 m -54.08 -43.67 70.52 Favored 'General case' 0 CA--C 1.538 0.497 0 N-CA-C 114.232 1.197 . . . . 0.0 114.232 -168.203 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -85.05 5.24 30.34 Favored 'General case' 0 CA--C 1.545 0.753 0 C-N-CA 125.142 1.377 . . . . 0.0 113.145 -173.903 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 4.4 ttmp? -137.26 -0.03 2.27 Favored 'General case' 0 CA--C 1.54 0.581 0 C-N-CA 127.659 2.384 . . . . 0.0 112.642 -166.231 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 7' ' ' TRP . . . . . . . . . . . . . 64.6 t90 -148.39 1.45 0.62 Allowed 'General case' 0 CA--C 1.553 1.092 0 N-CA-C 116.147 1.906 . . . . 0.0 116.147 -179.517 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 69.4 mtm 56.89 74.6 0.4 Allowed 'General case' 0 N--CA 1.477 0.876 0 C-N-CA 125.958 1.703 . . . . 0.0 113.458 176.95 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 10.0 pt20 -61.47 -2.39 0.73 Allowed 'General case' 0 CA--C 1.553 1.093 0 N-CA-C 116.219 1.933 . . . . 0.0 116.219 -174.563 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 33.5 m 59.27 92.39 0.04 OUTLIER 'General case' 0 N--CA 1.477 0.913 0 C-N-CA 125.591 1.556 . . . . 0.0 111.387 -149.97 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -97.95 77.84 2.51 Favored 'General case' 0 CA--C 1.537 0.467 0 C-N-CA 124.515 1.126 . . . . 0.0 111.56 -173.863 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 74.9 m-20 -68.41 173.77 4.64 Favored 'General case' 0 CA--C 1.548 0.902 0 C-N-CA 125.598 1.559 . . . . 0.0 114.332 169.447 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 42.4 t -55.61 -26.4 43.9 Favored 'General case' 0 N--CA 1.481 1.098 0 N-CA-C 114.805 1.409 . . . . 0.0 114.805 178.412 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 27.2 mt-10 -95.64 -10.17 30.12 Favored 'General case' 0 N--CA 1.474 0.766 0 N-CA-C 114.03 1.122 . . . . 0.0 114.03 179.144 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 11.3 mmt85 -82.38 133.02 35.21 Favored 'General case' 0 N--CA 1.471 0.595 0 O-C-N 121.044 -1.035 . . . . 0.0 112.929 -170.494 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -79.72 106.44 11.75 Favored 'General case' 0 N--CA 1.471 0.587 0 C-N-CA 123.188 0.595 . . . . 0.0 109.816 176.258 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 52.8 t -72.3 120.01 17.3 Favored 'General case' 0 CA--C 1.541 0.632 0 N-CA-C 108.446 -0.946 . . . . 0.0 108.446 164.34 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 63.5 m -49.7 -42.26 45.39 Favored 'General case' 0 N--CA 1.473 0.723 0 C-N-CA 125.72 1.608 . . . . 0.0 114.081 -163.124 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 54.9 mt-10 -96.35 15.32 21.55 Favored 'General case' 0 CA--C 1.544 0.721 0 N-CA-C 114.266 1.21 . . . . 0.0 114.266 -178.841 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 75.65 -5.19 39.42 Favored Glycine 0 CA--C 1.536 1.349 0 C-N-CA 126.042 1.782 . . . . 0.0 115.313 177.677 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 15.1 ptp -76.27 178.44 6.47 Favored 'General case' 0 CA--C 1.544 0.734 0 C-N-CA 126.568 1.947 . . . . 0.0 114.288 -175.948 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 19.6 t -53.23 131.76 15.45 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.914 0 C-N-CA 125.901 1.68 . . . . 0.0 113.909 -169.139 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 44.7 t -137.33 90.18 2.49 Favored 'General case' 0 CA--C 1.544 0.728 0 C-N-CA 126.719 2.008 . . . . 0.0 111.049 -165.255 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -145.32 93.25 2.35 Favored 'General case' 0 N--CA 1.477 0.925 0 C-N-CA 124.796 1.239 . . . . 0.0 110.638 175.66 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 18.9 mt 65.61 -46.04 0.38 Allowed 'General case' 0 CA--C 1.542 0.662 0 C-N-CA 127.464 2.306 . . . . 0.0 113.238 -169.307 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 26' ' ' TRP . . . . . . . . . . . . . 24.8 p-90 -96.17 167.38 11.24 Favored 'General case' 0 CA--C 1.534 0.341 0 C-N-CA 125.353 1.461 . . . . 0.0 112.774 164.155 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 2.4 t -127.33 129.67 48.07 Favored 'General case' 0 CA--C 1.542 0.646 0 N-CA-C 104.909 -2.256 . . . . 0.0 104.909 161.814 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 21.6 tptt -143.44 -100.86 0.12 Allowed 'General case' 0 N--CA 1.484 1.267 0 N-CA-C 114.156 1.169 . . . . 0.0 114.156 -156.354 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 7.8 mtpt -171.39 146.15 2.23 Favored 'General case' 0 N--CA 1.479 1.011 0 C-N-CA 126.917 2.087 . . . . 0.0 109.938 165.169 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 4.8 tptm -158.16 40.75 0.27 Allowed 'General case' 0 N--CA 1.481 1.086 0 C-N-CA 124.515 1.126 . . . . 0.0 111.65 173.501 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 6.7 tt -152.2 155.1 37.11 Favored 'General case' 0 CA--C 1.54 0.579 0 C-N-CA 126.385 1.874 . . . . 0.0 109.3 -172.816 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 6.0 mp . . . . . 0 C--O 1.208 -1.13 0 N-CA-C 107.472 -1.307 . . . . 0.0 107.472 -177.934 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.469 0.884 0 N-CA-C 109.651 -1.38 . . . . 0.0 109.651 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 98.6 Cg_endo -79.04 175.32 11.05 Favored 'Trans proline' 0 CA--C 1.538 0.712 0 C-N-CA 124.049 3.166 . . . . 0.0 113.644 -171.11 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 3' ' ' TYR . . . . . . . . . . . . 0.319 0.1 OUTLIER -134.42 149.02 50.74 Favored 'General case' 0 C--O 1.234 0.282 0 N-CA-C 116.965 2.209 . . . . 0.0 116.965 -178.555 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 3.8 m -112.48 -65.57 1.17 Allowed 'General case' 0 CA--C 1.536 0.433 0 C-N-CA 123.787 0.835 . . . . 0.0 111.323 169.828 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -60.0 -39.47 85.91 Favored 'General case' 0 N--CA 1.473 0.682 0 O-C-N 120.901 -1.124 . . . . 0.0 111.618 -179.966 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 7.8 mttp -69.46 -2.87 12.3 Favored 'General case' 0 N--CA 1.471 0.618 0 N-CA-C 114.701 1.371 . . . . 0.0 114.701 178.106 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 7' ' ' TRP . . . . . . . . . . . . . 4.8 t-105 -127.75 19.81 6.63 Favored 'General case' 0 CA--C 1.537 0.474 0 C-N-CA 124.324 1.049 . . . . 0.0 111.41 171.373 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 75.0 mtm 50.48 61.55 3.15 Favored 'General case' 0 CA--C 1.541 0.603 0 C-N-CA 125.234 1.414 . . . . 0.0 112.96 174.92 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -57.13 35.66 0.0 OUTLIER 'General case' 0 CA--C 1.551 1.01 0 C-N-CA 129.616 3.166 . . . . 0.0 119.329 -169.012 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 11.1 m 52.74 60.84 3.51 Favored 'General case' 0 N--CA 1.479 0.992 0 CA-C-N 120.678 1.581 . . . . 0.0 111.658 162.564 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 1.8 t -75.63 55.86 0.87 Allowed 'General case' 0 CA--C 1.541 0.598 0 C-N-CA 125.029 1.331 . . . . 0.0 114.08 -163.523 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 67.3 m-20 -67.79 159.64 29.86 Favored 'General case' 0 CA--C 1.536 0.409 0 C-N-CA 124.781 1.232 . . . . 0.0 113.823 158.33 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 33.3 t -57.1 -35.05 68.95 Favored 'General case' 0 N--CA 1.479 0.988 0 N-CA-C 114.539 1.311 . . . . 0.0 114.539 -171.082 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 13.9 pt-20 -73.38 -15.91 61.35 Favored 'General case' 0 CA--C 1.546 0.822 0 N-CA-C 115.228 1.566 . . . . 0.0 115.228 176.869 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -90.06 136.93 32.75 Favored 'General case' 0 N--CA 1.478 0.937 0 CA-C-N 119.73 1.15 . . . . 0.0 111.734 -171.794 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 37.8 mmtm -54.95 149.41 11.71 Favored 'General case' 0 N--CA 1.478 0.961 0 C-N-CA 125.022 1.329 . . . . 0.0 112.36 168.237 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 53.4 t -121.85 77.92 1.41 Allowed 'General case' 0 N--CA 1.469 0.505 0 C-N-CA 125.147 1.379 . . . . 0.0 109.451 173.154 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 2.4 m -70.03 28.36 0.03 OUTLIER 'General case' 0 CA--C 1.555 1.146 0 N-CA-C 116.361 1.986 . . . . 0.0 116.361 -162.742 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 4.9 mm-40 -132.67 -12.55 3.0 Favored 'General case' 0 CA--C 1.544 0.745 0 C-N-CA 125.663 1.585 . . . . 0.0 113.627 161.253 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 67.72 59.03 6.93 Favored Glycine 0 CA--C 1.535 1.282 0 CA-C-N 120.432 1.469 . . . . 0.0 113.547 -176.024 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 24.2 mmt -130.5 -160.18 1.02 Allowed 'General case' 0 N--CA 1.474 0.726 0 C-N-CA 125.08 1.352 . . . . 0.0 111.665 -164.881 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 13.5 t -46.67 141.62 1.12 Allowed 'Isoleucine or valine' 0 N--CA 1.474 0.749 0 CA-C-O 118.325 -0.845 . . . . 0.0 110.804 157.279 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 19.0 t -139.04 89.82 2.38 Favored 'General case' 0 CA--C 1.536 0.428 0 C-N-CA 125.627 1.571 . . . . 0.0 108.619 173.611 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . 0.422 ' C ' ' H ' ' A' ' 26' ' ' TRP . 4.3 mpt_? -144.37 99.58 3.39 Favored 'General case' 0 N--CA 1.476 0.84 0 C-N-CA 125.729 1.612 . . . . 0.0 109.485 178.935 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 25.7 mt 54.89 -20.68 0.01 OUTLIER 'General case' 0 N--CA 1.483 1.195 0 C-N-CA 128.317 2.647 . . . . 0.0 115.559 -159.424 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 26' ' ' TRP . . . . . 0.422 ' H ' ' C ' ' A' ' 24' ' ' ARG . 3.5 p-90 -157.24 172.79 18.0 Favored 'General case' 0 CA--C 1.54 0.56 0 C-N-CA 128.26 2.624 . . . . 0.0 111.974 -177.815 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 71.1 m -117.14 139.94 50.12 Favored 'General case' 0 CA--C 1.531 0.213 0 C-N-CA 125.967 1.707 . . . . 0.0 111.243 169.362 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 75.8 mttt -130.91 -115.94 0.23 Allowed 'General case' 0 N--CA 1.474 0.754 0 C-N-CA 125.952 1.701 . . . . 0.0 110.595 -178.216 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 3.1 ttpt -147.55 137.48 22.89 Favored 'General case' 0 N--CA 1.479 0.976 0 CA-C-N 120.351 1.432 . . . . 0.0 113.017 171.412 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 6.7 ttpt -156.63 -6.98 0.1 Allowed 'General case' 0 N--CA 1.486 1.336 0 C-N-CA 126.135 1.774 . . . . 0.0 115.527 171.057 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 34.1 tp -80.98 91.81 6.1 Favored 'General case' 0 N--CA 1.471 0.58 0 O-C-N 119.947 -1.721 . . . . 0.0 108.399 157.341 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 3.0 pp . . . . . 0 N--CA 1.485 1.31 0 C-N-CA 127.072 2.149 . . . . 0.0 109.534 -172.436 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.47 0.944 0 CA-C-O 118.047 -1.418 . . . . 0.0 110.419 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 69.5 Cg_endo -70.04 -23.87 29.01 Favored 'Trans proline' 0 CA--C 1.538 0.693 0 C-N-CA 124.193 3.262 . . . . 0.0 114.236 -177.173 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 6.5 p90 -140.02 137.92 35.03 Favored 'General case' 0 C--O 1.232 0.143 0 C-N-CA 125.496 1.518 . . . . 0.0 114.392 -177.246 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -161.82 -61.84 0.05 Allowed 'General case' 0 CA--C 1.539 0.528 0 N-CA-C 113.335 0.865 . . . . 0.0 113.335 173.441 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -64.24 -47.47 79.53 Favored 'General case' 0 N--CA 1.468 0.428 0 C-N-CA 124.714 1.206 . . . . 0.0 112.71 179.508 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 17.0 tttp -66.83 -9.8 41.23 Favored 'General case' 0 N--CA 1.469 0.487 0 C-N-CA 125.843 1.657 . . . . 0.0 113.321 -175.209 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 7' ' ' TRP . . . . . . . . . . . . . 0.1 OUTLIER -149.87 52.2 0.92 Allowed 'General case' 0 CA--C 1.55 0.965 0 C-N-CA 126.403 1.881 . . . . 0.0 107.965 -174.202 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 52.3 mtt 39.32 51.27 2.09 Favored 'General case' 0 N--CA 1.48 1.041 0 N-CA-C 117.314 2.339 . . . . 0.0 117.314 159.59 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 2.3 pt20 -58.38 -4.62 0.4 Allowed 'General case' 0 CA--C 1.553 1.064 0 N-CA-C 119.134 3.012 . . . . 0.0 119.134 -170.802 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 46.6 m 66.04 145.72 0.03 OUTLIER 'General case' 0 N--CA 1.482 1.163 0 CA-C-N 120.152 1.342 . . . . 0.0 112.843 -156.578 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 0.7 OUTLIER -156.74 128.58 7.23 Favored 'General case' 0 N--CA 1.468 0.459 0 O-C-N 119.632 -1.918 . . . . 0.0 110.791 -174.697 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 11.3 m-20 -149.14 165.29 32.23 Favored 'General case' 0 CA--C 1.544 0.713 0 C-N-CA 126.131 1.773 . . . . 0.0 107.314 -163.517 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 43.7 t -52.72 -38.12 60.26 Favored 'General case' 0 N--CA 1.482 1.139 0 O-C-N 120.791 -1.193 . . . . 0.0 114.071 178.797 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 70.5 tt0 -64.63 -34.12 77.53 Favored 'General case' 0 N--CA 1.473 0.688 0 N-CA-C 115.26 1.578 . . . . 0.0 115.26 173.832 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -112.55 138.22 49.64 Favored 'General case' 0 N--CA 1.466 0.344 0 C-N-CA 123.482 0.713 . . . . 0.0 112.72 -148.769 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 54.5 pttt -52.4 127.99 24.13 Favored 'General case' 0 N--CA 1.467 0.421 0 C-N-CA 124.979 1.312 . . . . 0.0 111.593 -172.883 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 5.9 t -89.91 117.41 28.71 Favored 'General case' 0 CA--C 1.531 0.246 0 N-CA-C 108.137 -1.06 . . . . 0.0 108.137 169.89 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 5.2 t -38.67 -43.2 0.87 Allowed 'General case' 0 CA--C 1.541 0.603 0 C-N-CA 127.363 2.265 . . . . 0.0 115.464 -179.285 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 55.0 mt-10 -128.89 22.1 5.82 Favored 'General case' 0 CA--C 1.546 0.825 0 C-N-CA 125.399 1.48 . . . . 0.0 111.593 -177.017 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 68.25 12.91 64.06 Favored Glycine 0 CA--C 1.541 1.663 0 N-CA-C 117.023 1.569 . . . . 0.0 117.023 177.954 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 18.3 mmt -76.74 -169.3 1.23 Allowed 'General case' 0 CA--C 1.547 0.865 0 C-N-CA 127.569 2.347 . . . . 0.0 113.914 -173.652 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 15.6 t -49.42 136.86 6.11 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.008 0 C-N-CA 124.641 1.176 . . . . 0.0 108.691 154.856 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 49.0 t -137.67 77.91 1.66 Allowed 'General case' 0 CA--C 1.539 0.547 0 C-N-CA 125.788 1.635 . . . . 0.0 110.397 -168.498 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -148.16 113.05 5.44 Favored 'General case' 0 N--CA 1.479 1.01 0 C-N-CA 126.68 1.992 . . . . 0.0 110.076 -179.169 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 48.5 mt 62.18 -32.14 0.09 Allowed 'General case' 0 N--CA 1.483 1.187 0 C-N-CA 127.441 2.296 . . . . 0.0 115.104 -162.526 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 26' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -153.16 159.21 42.66 Favored 'General case' 0 CA--C 1.532 0.254 0 C-N-CA 124.948 1.299 . . . . 0.0 110.395 173.12 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 9.0 t -87.77 123.41 32.54 Favored 'General case' 0 CA--C 1.531 0.234 0 N-CA-C 106.678 -1.601 . . . . 0.0 106.678 153.962 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . 0.289 2.2 tptm -122.06 -119.26 0.29 Allowed 'General case' 0 N--CA 1.478 0.95 0 CA-C-N 119.676 1.126 . . . . 0.0 111.607 -174.824 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 18.8 ttmm -139.0 129.02 25.15 Favored 'General case' 0 N--CA 1.471 0.616 0 CA-C-N 120.635 1.561 . . . . 0.0 111.637 166.346 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 3.7 tmtm? -118.3 -29.51 5.5 Favored 'General case' 0 N--CA 1.475 0.787 0 C-N-CA 126.646 1.978 . . . . 0.0 111.596 171.599 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 2.7 mm? -72.96 45.14 0.14 Allowed 'General case' 0 CA--C 1.552 1.026 0 C-N-CA 126.484 1.914 . . . . 0.0 111.933 174.685 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 17.6 mt . . . . . 0 C--O 1.215 -0.748 0 C-N-CA 125.429 1.492 . . . . 0.0 108.706 170.592 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.471 1.005 0 CA-C-O 118.338 -1.257 . . . . 0.0 111.14 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 95.8 Cg_endo -75.41 3.86 5.45 Favored 'Trans proline' 0 CA--C 1.542 0.879 0 C-N-CA 123.909 3.073 . . . . 0.0 115.279 -170.464 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 33.3 p90 -129.18 129.86 45.61 Favored 'General case' 0 C--O 1.237 0.4 0 N-CA-C 115.133 1.531 . . . . 0.0 115.133 177.667 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -154.12 -58.33 0.12 Allowed 'General case' 0 CA--C 1.545 0.784 0 N-CA-C 114.286 1.217 . . . . 0.0 114.286 -175.984 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -65.48 -44.47 87.03 Favored 'General case' 0 N--CA 1.477 0.879 0 O-C-N 121.01 -1.056 . . . . 0.0 110.246 171.964 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 31.6 tttm -73.71 4.07 5.59 Favored 'General case' 0 CA--C 1.542 0.664 0 C-N-CA 127.552 2.341 . . . . 0.0 114.031 -179.267 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 7' ' ' TRP . . . . . . . . . . . . . 23.5 t-105 -153.59 24.51 0.52 Allowed 'General case' 0 CA--C 1.549 0.929 0 C-N-CA 124.272 1.029 . . . . 0.0 113.028 -173.282 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 83.9 mtp 51.17 66.87 1.05 Allowed 'General case' 0 N--CA 1.476 0.874 0 N-CA-C 114.651 1.352 . . . . 0.0 114.651 172.939 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 5.7 pt20 -65.3 33.6 0.02 OUTLIER 'General case' 0 CA--C 1.555 1.163 0 N-CA-C 119.231 3.049 . . . . 0.0 119.231 -171.724 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 6.1 m 44.95 57.89 4.36 Favored 'General case' 0 N--CA 1.484 1.252 0 CA-C-N 120.902 1.683 . . . . 0.0 112.579 178.223 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 1.3 t -77.78 78.97 4.28 Favored 'General case' 0 CA--C 1.535 0.402 0 C-N-CA 123.769 0.828 . . . . 0.0 111.958 -161.509 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 74.3 m-20 -72.59 166.74 22.14 Favored 'General case' 0 CA--C 1.541 0.606 0 C-N-CA 126.028 1.731 . . . . 0.0 113.57 170.441 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 3.3 t -46.39 -40.66 12.45 Favored 'General case' 0 N--CA 1.48 1.054 0 N-CA-C 115.651 1.722 . . . . 0.0 115.651 -176.531 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 35.4 mp0 -101.04 9.66 41.92 Favored 'General case' 0 N--CA 1.472 0.634 0 C-N-CA 125.015 1.326 . . . . 0.0 113.515 -177.05 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -82.98 125.61 31.6 Favored 'General case' 0 N--CA 1.467 0.413 0 O-C-N 120.44 -1.412 . . . . 0.0 110.796 -169.564 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 10.8 ptmt -58.45 99.35 0.04 OUTLIER 'General case' 0 N--CA 1.479 0.994 0 C-N-CA 124.926 1.29 . . . . 0.0 113.25 178.211 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 43.6 t -66.05 140.91 58.3 Favored 'General case' 0 CA--C 1.54 0.588 0 C-N-CA 122.677 0.391 . . . . 0.0 111.756 -179.325 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 0.7 OUTLIER -60.94 -28.99 69.37 Favored 'General case' 0 CA--C 1.541 0.612 0 C-N-CA 126.946 2.098 . . . . 0.0 114.896 -177.599 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 97.0 mt-10 -136.65 -23.35 1.22 Allowed 'General case' 0 N--CA 1.472 0.636 0 C-N-CA 124.733 1.213 . . . . 0.0 113.722 -168.957 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 83.52 73.69 1.24 Allowed Glycine 0 CA--C 1.531 1.062 0 C-N-CA 124.06 0.838 . . . . 0.0 111.286 -162.892 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 16.0 mmt -141.82 178.19 7.66 Favored 'General case' 0 CA--C 1.54 0.579 0 C-N-CA 126.585 1.954 . . . . 0.0 110.862 -172.407 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 73.2 t -60.85 125.37 16.9 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.831 0 C-N-CA 124.186 0.994 . . . . 0.0 109.351 175.709 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 43.1 t -122.71 92.98 3.83 Favored 'General case' 0 CA--C 1.542 0.66 0 C-N-CA 126.157 1.783 . . . . 0.0 111.34 -168.026 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 4.7 mpt_? -151.45 106.85 3.33 Favored 'General case' 0 N--CA 1.482 1.157 0 C-N-CA 126.879 2.072 . . . . 0.0 109.601 179.547 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 6.5 mp 58.84 -33.42 0.05 OUTLIER 'General case' 0 N--CA 1.485 1.3 0 C-N-CA 128.451 2.7 . . . . 0.0 114.3 -161.023 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 26' ' ' TRP . . . . . . . . . . . . . 1.3 p-90 -141.62 157.65 44.82 Favored 'General case' 0 C--N 1.324 -0.525 0 C-N-CA 127.494 2.317 . . . . 0.0 110.878 178.58 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 0.6 OUTLIER -98.85 117.96 34.52 Favored 'General case' 0 N--CA 1.463 0.21 0 CA-C-O 117.638 -1.172 . . . . 0.0 107.965 166.865 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 68.8 mmtt -134.08 141.47 47.18 Favored 'General case' 0 N--CA 1.478 0.954 0 N-CA-C 116.605 2.076 . . . . 0.0 116.605 -167.801 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 25.0 tttp -77.84 79.8 4.31 Favored 'General case' 0 CA--C 1.536 0.42 0 C-N-CA 128.378 2.671 . . . . 0.0 113.003 -161.177 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -89.78 -5.97 56.43 Favored 'General case' 0 N--CA 1.479 0.98 0 N-CA-C 114.686 1.365 . . . . 0.0 114.686 172.529 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 9.0 tt -80.44 124.61 29.06 Favored 'General case' 0 N--CA 1.467 0.418 0 CA-C-N 119.227 0.921 . . . . 0.0 111.439 -177.028 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 2.4 pt? . . . . . 0 C--O 1.209 -1.043 0 CA-C-O 122.883 1.325 . . . . 0.0 110.868 179.714 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.47 0.961 0 N-CA-C 110.628 -0.989 . . . . 0.0 110.628 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 72.0 Cg_endo -76.77 -20.59 13.36 Favored 'Trans proline' 0 CA--C 1.537 0.648 0 C-N-CA 123.3 2.667 . . . . 0.0 114.305 -168.775 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 3' ' ' TYR . . . . . . . . . . . . 0.377 49.7 m-85 -77.39 46.52 0.52 Allowed 'General case' 0 CA--C 1.543 0.71 0 N-CA-C 118.022 2.601 . . . . 0.0 118.022 -170.016 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -36.39 -48.82 0.68 Allowed 'General case' 0 CA--C 1.546 0.788 0 C-N-CA 128.524 2.73 . . . . 0.0 116.507 -169.277 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -68.8 -39.19 80.23 Favored 'General case' 0 CA--C 1.546 0.789 0 C-N-CA 124.735 1.214 . . . . 0.0 113.24 -178.866 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 23.0 mttm -73.69 -36.52 65.3 Favored 'General case' 0 N--CA 1.477 0.899 0 C-N-CA 125.601 1.56 . . . . 0.0 114.019 173.689 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 7' ' ' TRP . . . . . . . . . . . . . 0.9 OUTLIER -83.59 -4.24 58.39 Favored 'General case' 0 N--CA 1.475 0.822 0 N-CA-C 116.27 1.952 . . . . 0.0 116.27 179.614 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 23.3 mtm 60.28 70.0 0.66 Allowed 'General case' 0 CA--C 1.538 0.5 0 C-N-CA 125.533 1.533 . . . . 0.0 111.774 -176.989 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -60.45 29.81 0.01 OUTLIER 'General case' 0 CA--C 1.554 1.107 0 C-N-CA 128.875 2.87 . . . . 0.0 118.205 -178.017 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 6.2 m 46.58 56.24 6.71 Favored 'General case' 0 N--CA 1.477 0.919 0 C-N-CA 127.025 2.13 . . . . 0.0 113.839 167.824 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -79.46 143.4 35.0 Favored 'General case' 0 CA--C 1.538 0.508 0 CA-C-N 115.465 -0.789 . . . . 0.0 111.812 -170.618 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 40.0 t0 -170.63 -179.63 2.98 Favored 'General case' 0 CA--C 1.544 0.725 0 N-CA-C 107.594 -1.262 . . . . 0.0 107.594 -139.335 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 30.2 t -59.35 -49.12 79.06 Favored 'General case' 0 N--CA 1.476 0.839 0 O-C-N 120.231 -1.543 . . . . 0.0 113.492 175.308 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 25.6 tt0 -95.12 16.26 16.89 Favored 'General case' 0 CA--C 1.544 0.737 0 N-CA-C 113.565 0.95 . . . . 0.0 113.565 -170.271 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -98.83 127.6 44.8 Favored 'General case' 0 N--CA 1.472 0.641 0 N-CA-C 115.16 1.541 . . . . 0.0 115.16 -169.994 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -60.52 156.76 15.57 Favored 'General case' 0 N--CA 1.469 0.508 0 CA-C-N 114.604 -1.18 . . . . 0.0 110.133 155.064 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 40.3 t -135.14 137.28 42.61 Favored 'General case' 0 CA--C 1.541 0.629 0 C-N-CA 124.073 0.949 . . . . 0.0 112.778 -167.735 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 1.9 t -57.94 -35.79 71.6 Favored 'General case' 0 CA--C 1.546 0.826 0 C-N-CA 126.405 1.882 . . . . 0.0 115.687 -166.631 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 29.2 mt-10 -147.67 27.67 0.98 Allowed 'General case' 0 CA--C 1.554 1.133 0 C-N-CA 124.581 1.152 . . . . 0.0 113.774 -174.988 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 69.98 8.23 60.86 Favored Glycine 0 CA--C 1.542 1.746 0 O-C-N 120.279 -1.513 . . . . 0.0 116.53 177.817 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -73.23 -178.02 2.75 Favored 'General case' 0 CA--C 1.546 0.805 0 C-N-CA 125.989 1.716 . . . . 0.0 112.677 176.521 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 91.2 t -64.17 142.52 16.76 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.758 0 C-N-CA 124.526 1.13 . . . . 0.0 110.593 171.731 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 36.8 t -122.81 80.58 1.77 Allowed 'General case' 0 CA--C 1.536 0.428 0 C-N-CA 126.581 1.952 . . . . 0.0 110.483 -166.645 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -140.09 108.49 5.84 Favored 'General case' 0 N--CA 1.479 0.982 0 C-N-CA 125.324 1.45 . . . . 0.0 110.92 -179.372 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 5.8 mp 62.25 -32.58 0.1 Allowed 'General case' 0 N--CA 1.477 0.877 0 C-N-CA 128.588 2.755 . . . . 0.0 114.133 -168.306 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 26' ' ' TRP . . . . . . . . . . . . . 0.4 OUTLIER -151.07 -179.51 7.37 Favored 'General case' 0 CA--C 1.539 0.521 0 C-N-CA 127.833 2.453 . . . . 0.0 111.289 171.622 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 0.9 OUTLIER -124.64 107.32 10.88 Favored 'General case' 0 CA--C 1.534 0.361 0 C-N-CA 125.42 1.488 . . . . 0.0 107.556 171.526 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 3.7 mptp? -116.33 141.68 47.84 Favored 'General case' 0 N--CA 1.48 1.052 0 C-N-CA 125.637 1.575 . . . . 0.0 110.77 174.812 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 1.1 ttmp? -58.33 115.16 2.78 Favored 'General case' 0 N--CA 1.479 0.997 0 N-CA-C 108.531 -0.914 . . . . 0.0 108.531 -178.237 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 10.0 tmtt? -150.34 95.97 2.33 Favored 'General case' 0 N--CA 1.467 0.407 0 C-N-CA 124.74 1.216 . . . . 0.0 108.723 -169.63 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -163.7 142.64 7.95 Favored 'General case' 0 CA--C 1.535 0.393 0 C-N-CA 127.456 2.302 . . . . 0.0 108.775 -164.099 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 3.0 pp . . . . . 0 C--O 1.21 -1.022 0 CA-C-O 121.517 0.675 . . . . 0.0 109.878 -178.658 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.475 1.244 0 N-CA-C 108.32 -1.912 . . . . 0.0 108.32 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 85.7 Cg_endo -56.34 160.52 10.9 Favored 'Trans proline' 0 CA--C 1.541 0.869 0 CA-C-N 118.408 1.104 . . . . 0.0 110.04 138.483 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 75.5 m-85 -143.66 179.94 6.83 Favored 'General case' 0 N--CA 1.47 0.544 0 C-N-CA 124.559 1.144 . . . . 0.0 113.298 -178.815 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 0.6 OUTLIER -132.9 -66.22 0.68 Allowed 'General case' 0 CA--C 1.541 0.604 0 N-CA-C 114.394 1.257 . . . . 0.0 114.394 174.492 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -60.77 -33.77 73.46 Favored 'General case' 0 N--CA 1.475 0.802 0 O-C-N 120.851 -1.155 . . . . 0.0 113.362 -177.788 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 77.7 tttt -71.54 -20.66 62.0 Favored 'General case' 0 CA--C 1.542 0.64 0 N-CA-C 113.76 1.022 . . . . 0.0 113.76 173.612 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 7' ' ' TRP . . . . . . . . . . . . . 1.0 OUTLIER -147.17 63.01 1.17 Allowed 'General case' 0 CA--C 1.552 1.053 0 CA-C-N 119.949 1.25 . . . . 0.0 111.894 -152.65 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 8' ' ' MET . . . . . . . . . . . . 0.259 29.4 mtt 54.44 35.93 24.37 Favored 'General case' 0 N--CA 1.483 1.208 0 N-CA-C 117.962 2.579 . . . . 0.0 117.962 161.941 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -67.15 17.68 0.03 OUTLIER 'General case' 0 N--CA 1.482 1.126 0 N-CA-C 120.236 3.421 . . . . 0.0 120.236 -168.113 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 9.1 m 50.74 60.82 3.59 Favored 'General case' 0 N--CA 1.484 1.252 0 CA-C-N 120.802 1.637 . . . . 0.0 113.905 162.032 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 6.0 t -83.39 62.06 6.52 Favored 'General case' 0 CA--C 1.542 0.648 0 N-CA-C 113.152 0.797 . . . . 0.0 113.152 -166.928 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 24.8 m-20 -62.88 167.18 4.89 Favored 'General case' 0 CA--C 1.538 0.501 0 N-CA-C 113.633 0.975 . . . . 0.0 113.633 168.546 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 2.1 p -53.51 -26.33 20.32 Favored 'General case' 0 N--CA 1.479 0.988 0 N-CA-C 116.565 2.061 . . . . 0.0 116.565 -179.227 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 6.3 pt-20 -97.9 3.42 49.72 Favored 'General case' 0 CA--C 1.545 0.767 0 N-CA-C 114.922 1.453 . . . . 0.0 114.922 177.156 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -95.33 155.51 16.71 Favored 'General case' 0 N--CA 1.476 0.833 0 C-N-CA 124.769 1.228 . . . . 0.0 111.289 175.624 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 35.5 mttp -67.34 165.62 16.05 Favored 'General case' 0 N--CA 1.473 0.693 0 C-N-CA 123.538 0.735 . . . . 0.0 110.444 161.672 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 43.0 t -120.28 122.15 40.22 Favored 'General case' 0 C--N 1.328 -0.36 0 C-N-CA 125.043 1.337 . . . . 0.0 109.592 163.333 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 0.7 OUTLIER -48.69 -43.59 37.19 Favored 'General case' 0 CA--C 1.542 0.642 0 C-N-CA 125.364 1.465 . . . . 0.0 114.877 -164.797 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 9.4 mm-40 -118.36 9.39 12.43 Favored 'General case' 0 CA--C 1.549 0.925 0 C-N-CA 125.837 1.655 . . . . 0.0 111.276 179.328 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 79.05 -8.03 47.88 Favored Glycine 0 CA--C 1.537 1.416 0 N-CA-C 117.332 1.693 . . . . 0.0 117.332 -173.287 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 16.0 ptp -115.1 137.7 51.71 Favored 'General case' 0 N--CA 1.477 0.912 0 CA-C-N 120.515 2.157 . . . . 0.0 116.423 -169.712 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . 0.381 1.3 t 65.72 41.61 0.14 Allowed 'Isoleucine or valine' 0 N--CA 1.479 0.999 0 N-CA-C 115.953 1.834 . . . . 0.0 115.953 176.895 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 42.2 t -64.22 80.29 0.03 OUTLIER 'General case' 0 CA--C 1.546 0.81 0 C-N-CA 126.058 1.743 . . . . 0.0 112.996 176.204 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . 0.41 ' C ' ' H ' ' A' ' 26' ' ' TRP . 2.8 mpt_? -153.82 103.12 2.57 Favored 'General case' 0 N--CA 1.481 1.091 0 C-N-CA 127.136 2.174 . . . . 0.0 110.493 179.201 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 42.1 mt 60.88 -21.5 0.03 OUTLIER 'General case' 0 N--CA 1.481 1.111 0 C-N-CA 128.852 2.861 . . . . 0.0 115.45 -170.562 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 26' ' ' TRP . . . . . 0.41 ' H ' ' C ' ' A' ' 24' ' ' ARG . 0.0 OUTLIER -149.67 -164.32 1.99 Allowed 'General case' 0 CA--C 1.546 0.821 0 C-N-CA 129.351 3.06 . . . . 0.0 108.074 174.602 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 61.4 m -123.43 161.25 25.17 Favored 'General case' 0 C--O 1.237 0.444 0 C-N-CA 124.219 1.008 . . . . 0.0 108.993 152.399 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . 0.458 ' HA ' ' HE3' ' A' ' 28' ' ' LYS . 0.3 OUTLIER -140.06 -109.11 0.16 Allowed 'General case' 0 N--CA 1.474 0.775 0 CA-C-O 118.504 -0.76 . . . . 0.0 112.852 -165.22 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 20.8 tttt -161.24 139.26 9.41 Favored 'General case' 0 N--CA 1.469 0.51 0 C-N-CA 124.362 1.065 . . . . 0.0 109.241 177.456 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -159.25 -27.36 0.07 Allowed 'General case' 0 N--CA 1.48 1.029 0 N-CA-C 113.522 0.934 . . . . 0.0 113.522 178.008 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 4.7 tt -80.4 144.72 32.44 Favored 'General case' 0 CA--C 1.537 0.47 0 CA-C-N 119.233 0.924 . . . . 0.0 109.598 163.199 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--O 1.208 -1.089 0 CA-C-O 124.122 1.915 . . . . 0.0 110.485 -151.459 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.465 0.59 0 N-CA-C 110.284 -1.126 . . . . 0.0 110.284 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 57.2 Cg_endo -79.87 -7.69 14.42 Favored 'Trans proline' 0 N--CA 1.46 -0.465 0 C-N-CA 124.702 3.601 . . . . 0.0 114.76 -173.826 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 4.9 m-30 -46.95 145.69 1.95 Allowed 'General case' 0 CA--C 1.533 0.291 0 N-CA-C 116.428 2.01 . . . . 0.0 116.428 173.581 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -118.13 -64.55 1.28 Allowed 'General case' 0 CA--C 1.534 0.341 0 C-N-CA 123.601 0.761 . . . . 0.0 111.583 171.056 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -63.65 -52.71 59.54 Favored 'General case' 0 CA--C 1.538 0.494 0 O-C-N 120.926 -1.109 . . . . 0.0 111.831 177.634 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -78.82 19.39 0.52 Allowed 'General case' 0 CA--C 1.547 0.845 0 N-CA-C 113.864 1.061 . . . . 0.0 113.864 178.835 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 7' ' ' TRP . . . . . . . . . . . . . 67.4 t-105 -138.99 16.44 2.64 Favored 'General case' 0 CA--C 1.546 0.823 0 C-N-CA 125.498 1.519 . . . . 0.0 111.99 171.949 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 74.0 mtm 56.86 60.13 3.18 Favored 'General case' 0 N--CA 1.47 0.527 0 C-N-CA 125.945 1.698 . . . . 0.0 114.684 172.321 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 1.5 pt20 -58.36 46.76 0.0 OUTLIER 'General case' 0 CA--C 1.553 1.083 0 C-N-CA 129.874 3.269 . . . . 0.0 118.406 178.794 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 17.1 m 46.05 53.16 9.47 Favored 'General case' 0 N--CA 1.481 1.119 0 CA-C-N 119.822 1.192 . . . . 0.0 113.586 156.62 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 7.0 t -71.5 132.8 45.24 Favored 'General case' 0 CA--C 1.539 0.539 0 O-C-N 120.96 -1.087 . . . . 0.0 113.05 -154.039 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . 0.403 ' H ' ' HB2' ' A' ' 15' ' ' ARG . 77.5 m-20 -129.02 162.27 28.01 Favored 'General case' 0 CA--C 1.537 0.471 0 C-N-CA 127.742 2.417 . . . . 0.0 112.071 -179.161 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 38.2 t -59.45 -19.84 50.58 Favored 'General case' 0 N--CA 1.475 0.824 0 N-CA-C 113.884 1.068 . . . . 0.0 113.884 175.437 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 12.7 pt-20 -95.23 -9.73 32.4 Favored 'General case' 0 N--CA 1.473 0.691 0 C-N-CA 126.052 1.741 . . . . 0.0 114.478 174.248 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 15' ' ' ARG . . . . . 0.403 ' HB2' ' H ' ' A' ' 12' ' ' ASP . 0.0 OUTLIER -83.49 132.79 34.93 Favored 'General case' 0 N--CA 1.468 0.439 0 O-C-N 121.003 -1.061 . . . . 0.0 109.87 -164.647 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 64.2 mttm -63.7 84.22 0.03 OUTLIER 'General case' 0 N--CA 1.475 0.819 0 C-N-CA 123.801 0.84 . . . . 0.0 111.684 170.509 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 44.3 t -62.09 129.6 41.58 Favored 'General case' 0 CA--C 1.54 0.583 0 C-N-CA 124.404 1.082 . . . . 0.0 109.801 -179.759 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 39.6 t -104.24 4.15 33.52 Favored 'General case' 0 CA--C 1.545 0.777 0 C-N-CA 124.351 1.06 . . . . 0.0 113.463 -152.372 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 46.7 mt-10 -123.14 -6.02 8.36 Favored 'General case' 0 N--CA 1.478 0.932 0 C-N-CA 125.061 1.344 . . . . 0.0 113.424 145.61 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 87.69 25.25 33.14 Favored Glycine 0 CA--C 1.534 1.224 0 N-CA-C 116.24 1.256 . . . . 0.0 116.24 170.315 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 20.0 ptp -152.84 152.04 31.11 Favored 'General case' 0 CA--C 1.537 0.474 0 CA-C-N 119.245 1.522 . . . . 0.0 114.687 -177.876 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . 0.342 2.0 t 52.47 58.91 0.3 Allowed 'Isoleucine or valine' 0 N--CA 1.479 0.983 0 C-N-CA 126.948 2.099 . . . . 0.0 115.491 171.147 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 51.1 t -73.52 92.94 1.95 Allowed 'General case' 0 CA--C 1.541 0.633 0 C-N-CA 125.135 1.374 . . . . 0.0 111.603 -176.873 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . 0.411 ' C ' ' H ' ' A' ' 26' ' ' TRP . 2.3 mpt_? -144.14 98.53 3.23 Favored 'General case' 0 N--CA 1.482 1.143 0 C-N-CA 125.543 1.537 . . . . 0.0 110.798 176.029 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 22.8 mt 61.43 -25.73 0.04 OUTLIER 'General case' 0 N--CA 1.482 1.126 0 C-N-CA 127.087 2.155 . . . . 0.0 114.55 -166.814 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 26' ' ' TRP . . . . . 0.411 ' H ' ' C ' ' A' ' 24' ' ' ARG . 7.8 p-90 -153.7 -171.78 4.01 Favored 'General case' 0 CA--C 1.54 0.594 0 C-N-CA 128.088 2.555 . . . . 0.0 111.298 177.812 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 74.3 m -134.31 152.83 52.03 Favored 'General case' 0 CA--C 1.537 0.461 0 C-N-CA 126.6 1.96 . . . . 0.0 108.078 167.501 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 25.1 mmtp -154.84 171.7 19.2 Favored 'General case' 0 N--CA 1.483 1.204 0 C-N-CA 127.194 2.198 . . . . 0.0 111.535 179.051 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 64.2 mttm -59.73 118.68 6.43 Favored 'General case' 0 N--CA 1.476 0.832 0 C-N-CA 124.231 1.012 . . . . 0.0 111.444 169.972 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 1.5 mmtm -147.23 10.43 0.99 Allowed 'General case' 0 N--CA 1.473 0.723 0 C-N-CA 124.642 1.177 . . . . 0.0 113.816 -173.839 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 9.9 tt -96.14 139.65 32.0 Favored 'General case' 0 CA--C 1.533 0.301 0 C-N-CA 124.591 1.156 . . . . 0.0 110.96 170.935 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 96.8 mt . . . . . 0 C--O 1.207 -1.163 0 CA-C-O 122.638 1.209 . . . . 0.0 108.198 -177.015 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.469 0.887 0 N-CA-C 109.11 -1.596 . . . . 0.0 109.11 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 46.0 Cg_endo -67.45 -14.23 41.8 Favored 'Trans proline' 0 CA--C 1.54 0.776 0 C-N-CA 123.279 2.652 . . . . 0.0 115.127 -170.234 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 3' ' ' TYR . . . . . . . . . . . . 0.353 7.3 p90 -143.05 77.67 1.58 Allowed 'General case' 0 N--CA 1.465 0.292 0 N-CA-C 116.705 2.113 . . . . 0.0 116.705 176.424 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 8.6 p -132.59 -12.43 3.04 Favored 'General case' 0 CA--C 1.543 0.709 0 N-CA-C 114.271 1.212 . . . . 0.0 114.271 171.382 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 2.8 tt0 -91.59 -44.83 8.82 Favored 'General case' 0 N--CA 1.472 0.649 0 O-C-N 120.913 -1.117 . . . . 0.0 110.29 168.013 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 1.7 ttpm? -87.76 21.95 2.45 Favored 'General case' 0 CA--C 1.545 0.771 0 C-N-CA 125.941 1.696 . . . . 0.0 113.405 -178.063 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 7' ' ' TRP . . . . . . . . . . . . . 0.8 OUTLIER -160.26 157.98 29.08 Favored 'General case' 0 CA--C 1.541 0.596 0 C-N-CA 125.713 1.605 . . . . 0.0 108.833 -175.209 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 27.3 mtt -83.69 77.9 9.78 Favored 'General case' 0 N--CA 1.476 0.855 0 O-C-N 121.081 -1.012 . . . . 0.0 112.58 -173.269 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -64.65 11.86 0.05 OUTLIER 'General case' 0 CA--C 1.548 0.879 0 N-CA-C 118.377 2.732 . . . . 0.0 118.377 -168.95 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 2.6 m 47.5 87.01 0.02 OUTLIER 'General case' 0 N--CA 1.476 0.854 0 C-N-CA 126.835 2.054 . . . . 0.0 114.461 177.381 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 80.1 m -72.95 46.65 0.17 Allowed 'General case' 0 CA--C 1.546 0.805 0 C-N-CA 125.957 1.703 . . . . 0.0 115.279 -173.861 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 74.2 m-20 -58.1 145.82 35.34 Favored 'General case' 0 CA--C 1.533 0.29 0 N-CA-C 114.328 1.233 . . . . 0.0 114.328 171.904 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 22.3 t -61.38 -8.41 3.96 Favored 'General case' 0 N--CA 1.477 0.892 0 N-CA-C 115.496 1.665 . . . . 0.0 115.496 -173.756 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 93.3 mt-10 -94.88 1.98 55.37 Favored 'General case' 0 N--CA 1.474 0.738 0 C-N-CA 125.405 1.482 . . . . 0.0 114.274 171.807 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -113.59 152.61 30.08 Favored 'General case' 0 N--CA 1.468 0.456 0 CA-C-O 122.738 1.256 . . . . 0.0 112.945 -169.524 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 18.3 mttm -68.62 147.93 51.2 Favored 'General case' 0 N--CA 1.468 0.45 0 C-N-CA 125.753 1.621 . . . . 0.0 112.12 161.911 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 10.1 t -79.18 137.72 37.56 Favored 'General case' 0 CA--C 1.533 0.315 0 N-CA-C 109.453 -0.573 . . . . 0.0 109.453 150.898 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 4.9 t -50.25 -44.86 53.75 Favored 'General case' 0 CA--C 1.537 0.472 0 C-N-CA 125.717 1.607 . . . . 0.0 114.665 -177.651 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 8.5 mm-40 -122.2 11.91 10.2 Favored 'General case' 0 N--CA 1.481 1.113 0 C-N-CA 124.721 1.208 . . . . 0.0 113.041 -179.347 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 72.07 14.47 76.31 Favored Glycine 0 CA--C 1.542 1.74 0 O-C-N 119.875 -1.766 . . . . 0.0 115.676 -174.237 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 11.5 mmt -67.21 178.43 1.49 Allowed 'General case' 0 CA--C 1.547 0.861 0 C-N-CA 126.244 1.817 . . . . 0.0 111.317 170.603 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 92.6 t -67.67 131.67 32.96 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.959 0 C-N-CA 124.402 1.081 . . . . 0.0 110.222 170.434 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 2.0 t -128.22 111.84 13.85 Favored 'General case' 0 CA--C 1.542 0.644 0 C-N-CA 124.316 1.046 . . . . 0.0 112.37 -166.773 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . 0.401 ' C ' ' H ' ' A' ' 26' ' ' TRP . 0.2 OUTLIER -148.49 107.06 3.78 Favored 'General case' 0 N--CA 1.481 1.076 0 C-N-CA 125.519 1.528 . . . . 0.0 110.495 169.079 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 57.7 mt 58.05 -26.41 0.02 OUTLIER 'General case' 0 N--CA 1.485 1.293 0 C-N-CA 127.254 2.222 . . . . 0.0 115.655 -165.112 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 26' ' ' TRP . . . . . 0.401 ' H ' ' C ' ' A' ' 24' ' ' ARG . 7.3 p-90 -148.05 158.99 44.36 Favored 'General case' 0 CA--C 1.536 0.433 0 C-N-CA 128.851 2.86 . . . . 0.0 110.844 179.098 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -128.04 64.06 1.39 Allowed 'General case' 0 CA--C 1.54 0.578 0 CA-C-O 121.744 0.783 . . . . 0.0 111.739 -177.33 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 35.5 tttp -55.52 -81.95 0.01 OUTLIER 'General case' 0 N--CA 1.477 0.89 0 C-N-CA 127.352 2.261 . . . . 0.0 113.153 -164.494 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 4.6 mtpp -176.21 134.53 0.25 Allowed 'General case' 0 N--CA 1.474 0.772 0 C-N-CA 128.327 2.651 . . . . 0.0 108.45 168.89 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 14.4 ttmm -164.58 39.62 0.08 Allowed 'General case' 0 N--CA 1.482 1.155 0 C-N-CA 124.14 0.976 . . . . 0.0 112.754 -178.574 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 27.7 tp -141.72 150.52 41.92 Favored 'General case' 0 N--CA 1.472 0.665 0 O-C-N 120.259 -1.526 . . . . 0.0 113.568 -166.102 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--O 1.212 -0.919 0 CA-C-O 123.112 1.434 . . . . 0.0 108.375 -176.79 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.472 1.039 0 CA-C-O 118.977 -0.901 . . . . 0.0 112.22 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 71.7 Cg_endo -64.25 165.2 20.33 Favored 'Trans proline' 0 CA--C 1.539 0.77 0 C-N-CA 122.991 2.46 . . . . 0.0 111.176 169.881 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 3' ' ' TYR . . . . . . . . . . . . 0.347 1.3 p90 -119.58 131.69 55.57 Favored 'General case' 0 N--CA 1.465 0.298 0 N-CA-C 117.253 2.316 . . . . 0.0 117.253 -175.128 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -155.62 -55.41 0.09 Allowed 'General case' 0 CA--C 1.54 0.589 0 N-CA-C 112.894 0.702 . . . . 0.0 112.894 168.834 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -61.41 -38.98 89.06 Favored 'General case' 0 N--CA 1.473 0.68 0 O-C-N 120.835 -1.166 . . . . 0.0 112.85 -175.682 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 51.1 tttt -75.85 -21.16 57.52 Favored 'General case' 0 N--CA 1.473 0.718 0 C-N-CA 124.782 1.233 . . . . 0.0 113.7 172.591 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 7' ' ' TRP . . . . . . . . . . . . . 56.9 t-105 -128.81 67.78 1.4 Allowed 'General case' 0 CA--C 1.534 0.352 0 C-N-CA 126.455 1.902 . . . . 0.0 111.216 -162.414 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 51.5 mtt 46.7 40.56 8.86 Favored 'General case' 0 CA--C 1.549 0.937 0 N-CA-C 116.176 1.917 . . . . 0.0 116.176 150.197 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -78.23 22.29 0.32 Allowed 'General case' 0 N--CA 1.472 0.641 0 N-CA-C 118.357 2.725 . . . . 0.0 118.357 -152.743 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 3.0 m 53.13 44.84 29.78 Favored 'General case' 0 N--CA 1.477 0.906 0 CA-C-N 120.162 1.347 . . . . 0.0 112.904 -179.651 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 1.8 t -70.9 120.64 16.78 Favored 'General case' 0 CA--C 1.538 0.501 0 O-C-N 121.139 -0.976 . . . . 0.0 109.322 -179.389 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 49.7 t0 -159.96 166.65 29.66 Favored 'General case' 0 CA--C 1.543 0.701 0 N-CA-C 106.786 -1.561 . . . . 0.0 106.786 -151.855 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 28.8 t -34.25 -53.61 0.5 Allowed 'General case' 0 N--CA 1.48 1.069 0 N-CA-C 117.003 2.223 . . . . 0.0 117.003 -164.725 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 29.8 tt0 -96.17 -23.46 16.73 Favored 'General case' 0 CA--C 1.542 0.639 0 N-CA-C 114.639 1.348 . . . . 0.0 114.639 179.151 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -87.07 124.58 33.39 Favored 'General case' 0 N--CA 1.465 0.318 0 O-C-N 121.44 -0.787 . . . . 0.0 111.879 -157.966 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 29.0 tptp -51.12 130.46 26.17 Favored 'General case' 0 N--CA 1.468 0.459 0 C-N-CA 126.483 1.913 . . . . 0.0 113.441 -172.033 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 41.0 t -73.68 136.61 43.8 Favored 'General case' 0 CA--C 1.535 0.377 0 N-CA-C 110.276 -0.268 . . . . 0.0 110.276 163.184 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 1.7 t -52.7 -48.39 66.61 Favored 'General case' 0 CA--C 1.542 0.646 0 C-N-CA 125.499 1.52 . . . . 0.0 114.195 -173.168 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -132.76 -1.46 3.39 Favored 'General case' 0 CA--C 1.552 1.054 0 N-CA-C 114.278 1.214 . . . . 0.0 114.278 -177.005 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 117.52 -9.11 14.98 Favored Glycine 0 CA--C 1.545 1.962 0 C-N-CA 125.831 1.682 . . . . 0.0 117.154 174.546 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -74.08 -163.42 0.18 Allowed 'General case' 0 CA--C 1.551 0.981 0 C-N-CA 126.491 1.916 . . . . 0.0 115.27 -176.278 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 39.9 t -72.77 106.84 3.08 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.847 0 C-N-CA 125.472 1.509 . . . . 0.0 113.187 -162.504 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 42.5 t -96.22 90.94 5.66 Favored 'General case' 0 CA--C 1.539 0.526 0 C-N-CA 125.739 1.616 . . . . 0.0 111.725 -167.446 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 1.5 mpt_? -145.02 78.5 1.56 Allowed 'General case' 0 N--CA 1.483 1.184 0 C-N-CA 124.796 1.238 . . . . 0.0 112.75 -178.679 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 20.5 mt 68.74 -7.79 0.7 Allowed 'General case' 0 N--CA 1.482 1.141 0 C-N-CA 126.579 1.952 . . . . 0.0 114.657 -168.993 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 26' ' ' TRP . . . . . 0.544 ' CG ' ' HE2' ' A' ' 28' ' ' LYS . 2.2 p-90 -156.49 178.32 10.45 Favored 'General case' 0 CA--C 1.539 0.527 0 C-N-CA 129.248 3.019 . . . . 0.0 110.612 176.985 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -139.2 69.29 1.37 Allowed 'General case' 0 CA--C 1.546 0.798 0 CA-C-N 120.042 1.292 . . . . 0.0 113.651 175.603 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . 0.544 ' HE2' ' CG ' ' A' ' 26' ' ' TRP . 1.5 mptp? -71.98 145.04 48.64 Favored 'General case' 0 N--CA 1.478 0.928 0 C-N-CA 125.897 1.679 . . . . 0.0 113.245 -178.446 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 36.9 tttm -68.92 119.76 13.75 Favored 'General case' 0 N--CA 1.478 0.928 0 C-N-CA 123.692 0.797 . . . . 0.0 110.87 177.645 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 60.1 tttm -160.14 80.95 0.69 Allowed 'General case' 0 N--CA 1.471 0.596 0 C-N-CA 125.059 1.344 . . . . 0.0 110.465 -173.85 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 7.5 tt -154.03 142.98 21.13 Favored 'General case' 0 N--CA 1.47 0.529 0 C-N-CA 127.186 2.194 . . . . 0.0 108.027 -179.109 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--O 1.205 -1.258 0 CA-C-N 118.515 0.598 . . . . 0.0 111.577 -174.611 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.473 1.115 0 CA-C-O 118.854 -0.97 . . . . 0.0 111.266 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 96.7 Cg_endo -77.7 75.34 4.79 Favored 'Trans proline' 0 CA--C 1.54 0.78 0 C-N-CA 124.417 3.411 . . . . 0.0 112.215 -172.557 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 3' ' ' TYR . . . . . . . . . . . . 0.277 74.6 m-85 -91.78 62.58 4.42 Favored 'General case' 0 C--O 1.236 0.377 0 N-CA-C 114.144 1.164 . . . . 0.0 114.144 -178.049 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 1.1 p -141.63 -28.6 0.64 Allowed 'General case' 0 CA--C 1.545 0.757 0 N-CA-C 115.075 1.509 . . . . 0.0 115.075 -161.99 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -90.07 -45.89 8.85 Favored 'General case' 0 N--CA 1.47 0.56 0 CA-C-N 119.77 1.168 . . . . 0.0 110.668 166.529 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 8.3 ttmt -64.97 -13.08 56.6 Favored 'General case' 0 N--CA 1.475 0.792 0 O-C-N 121.05 -1.031 . . . . 0.0 112.635 171.147 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 7' ' ' TRP . . . . . . . . . . . . . 8.1 m95 -135.6 31.31 3.11 Favored 'General case' 0 CA--C 1.542 0.657 0 C-N-CA 127.796 2.438 . . . . 0.0 114.528 -173.086 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 75.8 mtm 45.23 61.67 2.46 Favored 'General case' 0 CA--C 1.549 0.907 0 N-CA-C 116.924 2.194 . . . . 0.0 116.924 159.145 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 2.8 pt20 -66.5 25.25 0.02 OUTLIER 'General case' 0 CA--C 1.552 1.053 0 N-CA-C 119.577 3.177 . . . . 0.0 119.577 -170.804 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 6.8 m 57.96 55.11 5.52 Favored 'General case' 0 N--CA 1.486 1.357 0 CA-C-N 121.607 2.003 . . . . 0.0 113.533 170.787 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 1.3 t -84.44 80.92 9.06 Favored 'General case' 0 CA--C 1.545 0.786 0 N-CA-C 113.875 1.065 . . . . 0.0 113.875 -160.578 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 43.6 m-20 -71.24 179.21 2.96 Favored 'General case' 0 CA--C 1.555 1.141 0 C-N-CA 126.475 1.91 . . . . 0.0 115.463 166.983 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 44.5 t -54.7 -42.64 71.7 Favored 'General case' 0 N--CA 1.484 1.271 0 O-C-N 120.468 -1.395 . . . . 0.0 113.381 173.43 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 37.1 tt0 -67.84 -27.64 66.88 Favored 'General case' 0 N--CA 1.473 0.682 0 C-N-CA 124.779 1.232 . . . . 0.0 114.016 176.548 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -80.08 127.25 32.08 Favored 'General case' 0 N--CA 1.468 0.441 0 O-C-N 120.809 -1.182 . . . . 0.0 111.07 -165.447 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 16.1 mmtp -61.7 125.2 22.99 Favored 'General case' 0 N--CA 1.471 0.608 0 O-C-N 121.523 -0.735 . . . . 0.0 109.815 169.587 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 49.3 t -63.49 145.26 56.01 Favored 'General case' 0 CA--C 1.54 0.566 0 CA-C-N 118.8 0.727 . . . . 0.0 110.81 168.546 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 28.1 t -71.01 -36.99 72.64 Favored 'General case' 0 CA--C 1.542 0.673 0 C-N-CA 124.852 1.261 . . . . 0.0 113.843 -175.15 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 11.6 mt-10 -140.52 13.0 2.34 Favored 'General case' 0 N--CA 1.476 0.868 0 N-CA-C 114.471 1.286 . . . . 0.0 114.471 -164.026 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 72.3 56.08 6.49 Favored Glycine 0 CA--C 1.536 1.344 0 O-C-N 120.549 -1.344 . . . . 0.0 112.576 -175.638 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 25.4 mmt -139.07 -175.79 4.28 Favored 'General case' 0 N--CA 1.471 0.578 0 C-N-CA 126.086 1.754 . . . . 0.0 111.175 -165.54 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 47.9 t -67.81 107.4 1.13 Allowed 'Isoleucine or valine' 0 N--CA 1.478 0.929 0 CA-C-N 118.91 0.777 . . . . 0.0 111.235 179.081 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 42.3 t -86.16 93.45 9.03 Favored 'General case' 0 CA--C 1.536 0.437 0 C-N-CA 124.639 1.176 . . . . 0.0 110.087 174.64 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . 0.422 ' C ' ' H ' ' A' ' 26' ' ' TRP . 3.9 mpt_? -152.66 106.44 3.08 Favored 'General case' 0 N--CA 1.477 0.875 0 C-N-CA 126.186 1.794 . . . . 0.0 110.787 173.329 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 11.8 mt 61.22 -18.53 0.03 OUTLIER 'General case' 0 N--CA 1.484 1.274 0 N-CA-C 116.281 1.956 . . . . 0.0 116.281 -171.38 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 26' ' ' TRP . . . . . 0.422 ' H ' ' C ' ' A' ' 24' ' ' ARG . 1.6 p-90 -158.23 -177.62 6.68 Favored 'General case' 0 C--N 1.324 -0.517 0 C-N-CA 130.181 3.392 . . . . 0.0 109.321 -179.134 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 1.6 m -111.51 145.5 38.96 Favored 'General case' 0 CA--C 1.532 0.256 0 N-CA-C 108.408 -0.96 . . . . 0.0 108.408 146.589 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 67.9 mmtt -139.21 131.75 28.72 Favored 'General case' 0 N--CA 1.474 0.732 0 C-N-CA 125.518 1.527 . . . . 0.0 108.841 -179.853 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 80.1 mttt -51.93 126.45 18.27 Favored 'General case' 0 N--CA 1.477 0.918 0 CA-C-N 118.408 0.549 . . . . 0.0 112.126 -175.951 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 66.3 tttt -154.75 64.12 0.66 Allowed 'General case' 0 N--CA 1.469 0.512 0 C-N-CA 127.084 2.154 . . . . 0.0 108.946 177.675 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 1.2 mt -158.88 156.35 29.43 Favored 'General case' 0 C--N 1.326 -0.446 0 C-N-CA 125.643 1.577 . . . . 0.0 109.453 174.8 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 5.6 mp . . . . . 0 C--O 1.204 -1.334 0 N-CA-C 107.125 -1.435 . . . . 0.0 107.125 -175.049 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.471 0.967 0 CA-C-O 118.465 -1.186 . . . . 0.0 110.864 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 71.7 Cg_endo -77.98 -26.73 6.33 Favored 'Trans proline' 0 CA--C 1.541 0.844 0 C-N-CA 122.509 2.139 . . . . 0.0 114.462 -173.178 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 3' ' ' TYR . . . . . . . . . . . . 0.41 53.0 m-85 51.33 45.82 27.38 Favored 'General case' 0 CA--C 1.539 0.553 0 N-CA-C 119.124 3.009 . . . . 0.0 119.124 166.145 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 4.4 p -135.85 -9.34 2.09 Favored 'General case' 0 CA--C 1.543 0.691 0 N-CA-C 116.217 1.932 . . . . 0.0 116.217 -166.871 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -108.47 -46.92 3.6 Favored 'General case' 0 N--CA 1.469 0.497 0 C-N-CA 125.653 1.581 . . . . 0.0 110.693 178.429 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 4.9 ttmm -85.59 0.73 51.69 Favored 'General case' 0 CA--C 1.536 0.42 0 C-N-CA 124.979 1.312 . . . . 0.0 113.015 173.576 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 7' ' ' TRP . . . . . . . . . . . . . 52.1 t-105 -152.31 145.22 24.43 Favored 'General case' 0 CA--C 1.537 0.468 0 C-N-CA 125.999 1.72 . . . . 0.0 108.688 -175.746 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 27.3 mtt -83.61 94.75 8.16 Favored 'General case' 0 N--CA 1.471 0.617 0 N-CA-C 113.493 0.923 . . . . 0.0 113.493 -160.464 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 2.3 pt20 -71.77 -5.19 32.31 Favored 'General case' 0 CA--C 1.545 0.75 0 N-CA-C 117.704 2.483 . . . . 0.0 117.704 -172.977 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 8.7 m 55.15 79.22 0.16 Allowed 'General case' 0 N--CA 1.482 1.145 0 CA-C-N 121.547 1.976 . . . . 0.0 112.379 -167.687 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 3.4 t -81.29 67.73 7.33 Favored 'General case' 0 CA--C 1.547 0.831 0 C-N-CA 124.034 0.934 . . . . 0.0 113.447 -173.502 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -55.13 151.0 9.84 Favored 'General case' 0 CA--C 1.539 0.526 0 C-N-CA 123.605 0.762 . . . . 0.0 112.063 159.366 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 60.0 p -64.11 -4.26 3.4 Favored 'General case' 0 N--CA 1.482 1.167 0 N-CA-C 116.13 1.9 . . . . 0.0 116.13 179.188 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 12.5 pt-20 -91.86 -9.82 41.93 Favored 'General case' 0 CA--C 1.544 0.739 0 C-N-CA 124.995 1.318 . . . . 0.0 114.194 169.731 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 14.5 ttt180 -94.9 142.23 27.71 Favored 'General case' 0 N--CA 1.472 0.665 0 CA-C-N 119.533 1.06 . . . . 0.0 112.83 -173.125 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 10.3 ptpt -48.71 97.91 0.01 OUTLIER 'General case' 0 N--CA 1.475 0.783 0 C-N-CA 126.686 1.995 . . . . 0.0 113.22 162.96 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 37.4 t -66.56 120.86 14.13 Favored 'General case' 0 CA--C 1.534 0.35 0 O-C-N 120.93 -1.106 . . . . 0.0 109.557 176.081 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 6.0 t -50.07 -48.96 52.81 Favored 'General case' 0 CA--C 1.538 0.491 0 N-CA-C 115.793 1.775 . . . . 0.0 115.793 -157.183 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 27.8 mm-40 -116.66 16.89 15.39 Favored 'General case' 0 CA--C 1.546 0.821 0 C-N-CA 125.887 1.675 . . . . 0.0 111.276 175.391 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 73.48 12.49 80.21 Favored Glycine 0 CA--C 1.534 1.241 0 N-CA-C 116.286 1.274 . . . . 0.0 116.286 -179.828 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 20.7 ptp -124.61 119.3 28.63 Favored 'General case' 0 CA--C 1.538 0.516 0 CA-C-N 119.144 1.472 . . . . 0.0 114.796 -171.069 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . 0.314 8.1 t 53.99 65.2 0.18 Allowed 'Isoleucine or valine' 0 N--CA 1.479 1.014 0 C-N-CA 127.344 2.258 . . . . 0.0 114.238 168.896 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 42.0 t -65.85 85.01 0.08 Allowed 'General case' 0 CA--C 1.538 0.487 0 C-N-CA 127.584 2.354 . . . . 0.0 111.305 175.092 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 1.5 mpt_? -135.61 87.25 2.3 Favored 'General case' 0 N--CA 1.476 0.873 0 C-N-CA 126.436 1.894 . . . . 0.0 110.212 175.939 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 23.7 mt 61.26 -18.21 0.04 OUTLIER 'General case' 0 CA--C 1.546 0.817 0 C-N-CA 127.985 2.514 . . . . 0.0 115.198 -166.017 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 26' ' ' TRP . . . . . . . . . . . . . 5.1 p-90 -156.4 -174.62 5.03 Favored 'General case' 0 CA--C 1.54 0.593 0 C-N-CA 127.645 2.378 . . . . 0.0 111.016 173.343 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 94.9 m -133.44 68.58 1.49 Allowed 'General case' 0 CA--C 1.546 0.806 0 C-N-CA 124.925 1.29 . . . . 0.0 110.84 174.174 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 13.0 tmtt? -63.39 -56.53 15.53 Favored 'General case' 0 N--CA 1.482 1.166 0 C-N-CA 126.189 1.796 . . . . 0.0 114.631 -165.97 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 9.5 mtpt 171.87 136.42 0.03 OUTLIER 'General case' 0 N--CA 1.476 0.845 0 C-N-CA 129.074 2.95 . . . . 0.0 108.036 171.092 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -161.9 34.28 0.12 Allowed 'General case' 0 N--CA 1.481 1.09 0 C-N-CA 124.674 1.19 . . . . 0.0 112.343 172.528 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 48.3 tp -144.99 125.09 13.62 Favored 'General case' 0 N--CA 1.466 0.334 0 O-C-N 120.88 -1.137 . . . . 0.0 111.552 175.728 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 91.2 mt . . . . . 0 C--O 1.212 -0.878 0 C-N-CA 124.887 1.275 . . . . 0.0 109.224 -169.726 . . . . . . . . 0 0 . 1 stop_ save_