data_2m2m_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 2m2m _Structure_validation_residue.Date_analyzed 2016-10-08 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 ' 2' ' ' ILE . . . . . . . . . . . . . 8.4 tp . . . . . 0 N--CA 1.481 1.087 0 N-CA-C 113.576 0.954 . . . . 0.0 113.576 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 93.5 t -64.03 -41.92 94.04 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.929 0 O-C-N 121.457 -0.777 . . . . 0.0 110.187 177.668 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 42.4 mp0 -73.04 -6.46 45.72 Favored 'General case' 0 CA--C 1.547 0.828 0 C-N-CA 124.003 0.921 . . . . 0.0 113.06 176.076 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 40.3 tp60 -98.78 -40.93 7.9 Favored 'General case' 0 CA--C 1.54 0.577 0 C-N-CA 124.44 1.096 . . . . 0.0 111.807 174.017 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 89.4 m -107.52 -30.49 8.6 Favored 'General case' 0 N--CA 1.475 0.799 0 N-CA-C 115.933 1.827 . . . . 0.0 115.933 -171.872 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 23.7 t -78.82 -33.83 45.77 Favored 'General case' 0 N--CA 1.479 0.999 0 O-C-N 120.954 -1.091 . . . . 0.0 113.661 -177.089 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 6.4 t -82.71 -30.25 29.25 Favored 'General case' 0 N--CA 1.477 0.911 0 C-N-CA 125.285 1.434 . . . . 0.0 113.246 -177.828 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 93.1 p -164.24 170.45 16.24 Favored 'General case' 0 CA--C 1.536 0.436 0 C-N-CA 126.69 1.996 . . . . 0.0 110.536 -172.544 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 9.8 mt -71.23 130.69 35.02 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.455 0 O-C-N 121.412 -0.805 . . . . 0.0 112.367 -170.291 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 18.8 p -115.69 166.36 12.02 Favored 'General case' 0 CA--C 1.541 0.609 0 C-N-CA 125.098 1.359 . . . . 0.0 111.619 171.228 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 50.7 m -131.43 155.35 47.49 Favored 'General case' 0 N--CA 1.467 0.391 0 C-N-CA 124.912 1.285 . . . . 0.0 111.261 -173.571 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . 0.414 ' H ' HD21 ' A' ' 13' ' ' LEU . 1.4 pt? -53.93 -42.86 69.26 Favored 'General case' 0 N--CA 1.464 0.248 0 C-N-CA 124.261 1.024 . . . . 0.0 111.929 -172.899 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 27.6 p90 -67.08 -13.87 62.35 Favored 'General case' 0 CA--C 1.536 0.43 0 N-CA-C 114.569 1.322 . . . . 0.0 114.569 -173.874 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 5.1 pt20 -118.36 -31.83 4.83 Favored 'General case' 0 C--O 1.223 -0.315 0 C-N-CA 123.956 0.902 . . . . 0.0 110.848 -178.641 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -70.06 -32.41 70.5 Favored 'General case' 0 CA--C 1.549 0.939 0 CA-C-N 119.21 0.913 . . . . 0.0 111.175 176.854 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 13.8 mt-10 -46.37 -36.98 6.94 Favored 'General case' 0 N--CA 1.479 0.977 0 C-N-CA 126.237 1.815 . . . . 0.0 112.548 169.782 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 80.9 m-20 -62.4 -24.52 67.44 Favored 'General case' 0 CA--C 1.541 0.628 0 C-N-CA 124.795 1.238 . . . . 0.0 112.89 -173.893 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 85.4 m-85 -88.18 -1.15 57.84 Favored 'General case' 0 CA--C 1.544 0.722 0 C-N-CA 126.164 1.786 . . . . 0.0 113.777 -176.134 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 6.6 t -76.06 -3.93 38.6 Favored 'General case' 0 CA--C 1.551 1.004 0 C-N-CA 124.148 0.979 . . . . 0.0 113.596 173.506 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 5.6 p-10 . . . . . 0 C--O 1.253 1.274 0 C-N-CA 126.48 1.912 . . . . 0.0 114.457 179.467 . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' B' B ' 1' ' ' PHE . . . . . . . . . . . . . 38.7 t80 . . . . . 0 N--CA 1.487 1.399 0 CA-C-O 119.577 -0.249 . . . . 0.0 110.715 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' B' B ' 2' ' ' VAL . . . . . . . . . . . . . 61.5 t -128.46 127.94 67.61 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.05 0 C-N-CA 124.963 1.305 . . . . 0.0 108.962 174.983 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 3' ' ' ASN . . . . . . . . . . . . . 72.9 m-20 -81.53 112.69 18.99 Favored 'General case' 0 CA--C 1.537 0.453 0 C-N-CA 123.178 0.591 . . . . 0.0 109.52 172.573 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 4' ' ' GLN . . . . . . . . . . . . . 6.0 pt20 -158.46 -179.1 7.78 Favored 'General case' 0 CA--C 1.537 0.463 0 C-N-CA 125.251 1.42 . . . . 0.0 110.829 -172.703 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 5' ' ' HIS . . . . . . . . . . . . . 70.3 m-70 -75.18 136.12 41.04 Favored 'General case' 0 CA--C 1.542 0.672 0 C-N-CA 124.257 1.023 . . . . 0.0 109.835 167.574 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 86.9 mt -143.65 133.93 24.53 Favored 'General case' 0 N--CA 1.47 0.537 0 C-N-CA 124.942 1.297 . . . . 0.0 110.295 -175.812 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 7' ' ' CYS . . . . . . . . . . . . . 1.8 t -157.0 146.42 20.42 Favored 'General case' 0 N--CA 1.468 0.462 0 C-N-CA 123.665 0.786 . . . . 0.0 111.403 -175.715 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 8' ' ' GLY . . . . . . . . . . . . . . . 58.71 -127.28 44.85 Favored Glycine 0 CA--C 1.531 1.046 0 C-N-CA 123.902 0.763 . . . . 0.0 112.717 179.394 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 9' ' ' SER . . . . . . . . . . . . . 8.8 t -56.33 -38.1 70.87 Favored 'General case' 0 N--CA 1.473 0.687 0 C-N-CA 123.746 0.819 . . . . 0.0 112.607 178.698 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 10' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -62.75 -35.13 78.8 Favored 'General case' 0 CA--C 1.544 0.741 0 O-C-N 120.73 -1.231 . . . . 0.0 112.623 175.673 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 15.8 tp -74.12 -42.19 60.42 Favored 'General case' 0 CA--C 1.536 0.441 0 C-N-CA 124.398 1.079 . . . . 0.0 111.072 177.484 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 91.2 t -59.81 -41.79 86.82 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.106 0 C-N-CA 124.12 0.968 . . . . 0.0 111.189 171.532 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 19.7 mt-10 -58.77 -49.67 76.78 Favored 'General case' 0 N--CA 1.465 0.304 0 C-N-CA 123.425 0.69 . . . . 0.0 111.595 171.794 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -58.58 -47.0 85.75 Favored 'General case' 0 CA--C 1.534 0.364 0 CA-C-N 119.85 1.205 . . . . 0.0 112.529 177.724 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 3.9 mm? -57.2 -35.09 69.21 Favored 'General case' 0 N--CA 1.47 0.543 0 C-N-CA 123.549 0.74 . . . . 0.0 112.095 176.181 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 16' ' ' TYR . . . . . . . . . . . . . 90.0 t80 -62.48 -45.1 94.56 Favored 'General case' 0 CA--C 1.536 0.421 0 O-C-N 121.294 -0.878 . . . . 0.0 112.018 169.94 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 77.5 mt -65.97 -47.04 75.92 Favored 'General case' 0 N--CA 1.466 0.368 0 CA-C-N 118.868 0.758 . . . . 0.0 112.584 -178.079 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 18' ' ' VAL . . . . . . . . . . . . . 0.1 OUTLIER -72.99 -40.65 59.44 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.944 0 N-CA-C 112.928 0.714 . . . . 0.0 112.928 -179.989 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 19' ' ' CYS . . . . . . . . . . . . . 18.9 t -127.11 -36.79 2.13 Favored 'General case' 0 N--CA 1.473 0.676 0 N-CA-C 114.713 1.375 . . . . 0.0 114.713 -167.134 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.476 1.346 0 O-C-N 121.529 -0.732 . . . . 0.0 113.218 -169.607 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 6.8 tp . . . . . 0 N--CA 1.484 1.239 0 N-CA-C 113.909 1.077 . . . . 0.0 113.909 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 91.5 t -64.01 -33.66 63.66 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.008 0 C-N-CA 123.823 0.849 . . . . 0.0 111.113 176.928 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 29.6 tt0 -82.46 -3.34 55.58 Favored 'General case' 0 CA--C 1.549 0.911 0 C-N-CA 124.893 1.277 . . . . 0.0 112.579 175.875 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 8.6 tp-100 -96.57 -48.66 5.44 Favored 'General case' 0 CA--C 1.538 0.505 0 O-C-N 120.975 -1.078 . . . . 0.0 110.656 167.827 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 65.0 m -108.72 -26.79 10.15 Favored 'General case' 0 N--CA 1.47 0.557 0 N-CA-C 116.511 2.041 . . . . 0.0 116.511 -166.128 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 47.8 t -86.99 -35.24 18.93 Favored 'General case' 0 N--CA 1.478 0.97 0 CA-C-N 120.546 1.521 . . . . 0.0 113.255 179.885 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 5.2 t -79.37 -21.15 46.15 Favored 'General case' 0 N--CA 1.475 0.82 0 C-N-CA 125.017 1.327 . . . . 0.0 113.32 178.95 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 26.9 p -157.45 163.15 38.81 Favored 'General case' 0 CA--C 1.542 0.655 0 C-N-CA 125.302 1.441 . . . . 0.0 112.141 -171.658 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 20.6 mm -60.43 129.21 22.71 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.892 0 O-C-N 121.477 -0.764 . . . . 0.0 109.471 172.08 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 16.8 p -120.35 157.94 28.17 Favored 'General case' 0 N--CA 1.47 0.554 0 CA-C-O 121.852 0.834 . . . . 0.0 113.07 172.453 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 30.6 m -104.92 152.32 22.8 Favored 'General case' 0 CA--C 1.535 0.397 0 C-N-CA 124.973 1.309 . . . . 0.0 112.129 177.873 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 1.8 pt? -57.04 -41.84 79.38 Favored 'General case' 0 CA--C 1.531 0.215 0 C-N-CA 124.097 0.959 . . . . 0.0 112.256 -176.632 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 19.6 p90 -69.02 -15.85 63.57 Favored 'General case' 0 CA--C 1.535 0.394 0 C-N-CA 124.749 1.22 . . . . 0.0 114.048 -172.982 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 3.2 pt20 -109.53 -26.2 10.07 Favored 'General case' 0 C--O 1.224 -0.283 0 C-N-CA 123.85 0.86 . . . . 0.0 110.649 179.686 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -75.47 -30.67 60.0 Favored 'General case' 0 CA--C 1.548 0.884 0 CA-C-N 119.113 0.87 . . . . 0.0 111.541 176.141 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 23.6 mt-10 -53.18 -36.12 60.57 Favored 'General case' 0 N--CA 1.479 1.023 0 C-N-CA 124.41 1.084 . . . . 0.0 112.147 170.906 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 7.5 m-80 -64.21 -14.07 52.98 Favored 'General case' 0 CA--C 1.547 0.853 0 N-CA-C 113.395 0.887 . . . . 0.0 113.395 -176.026 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 88.7 m-85 -91.27 -5.28 54.97 Favored 'General case' 0 CA--C 1.544 0.746 0 C-N-CA 125.296 1.438 . . . . 0.0 113.386 174.689 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 15.4 t -72.96 -27.79 62.04 Favored 'General case' 0 CA--C 1.544 0.725 0 C-N-CA 124.328 1.051 . . . . 0.0 112.653 172.273 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 35.4 m120 . . . . . 0 C--O 1.253 1.279 0 C-N-CA 125.923 1.689 . . . . 0.0 113.021 179.318 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' B' B ' 1' ' ' PHE . . . . . . . . . . . . . 74.5 t80 . . . . . 0 N--CA 1.487 1.404 0 N-CA-C 110.712 -0.107 . . . . 0.0 110.712 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' B' B ' 2' ' ' VAL . . . . . . . . . . . . . 90.4 t -132.06 121.84 47.52 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.949 0 C-N-CA 124.967 1.307 . . . . 0.0 108.301 169.982 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 3' ' ' ASN . . . . . . . . . . . . . 8.6 m120 -61.84 113.97 3.07 Favored 'General case' 0 CA--C 1.537 0.459 0 C-N-CA 123.967 0.907 . . . . 0.0 110.026 172.486 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 4' ' ' GLN . . . . . . . . . . . . . 12.5 pt20 -156.91 178.74 10.01 Favored 'General case' 0 CA--C 1.532 0.287 0 C-N-CA 123.782 0.833 . . . . 0.0 111.185 -172.492 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 5' ' ' HIS . . . . . . . . . . . . . 73.7 m-70 -82.99 124.93 30.86 Favored 'General case' 0 CA--C 1.544 0.715 0 C-N-CA 123.954 0.902 . . . . 0.0 110.184 167.48 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 97.0 mt -125.16 124.37 41.64 Favored 'General case' 0 N--CA 1.466 0.364 0 C-N-CA 125.453 1.501 . . . . 0.0 110.185 -177.285 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 7' ' ' CYS . . . . . . . . . . . . . 65.2 m -139.28 150.47 45.49 Favored 'General case' 0 N--CA 1.469 0.508 0 C-N-CA 125.467 1.507 . . . . 0.0 110.307 -175.958 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 8' ' ' GLY . . . . . . . . . . . . . . . 57.93 -130.85 51.61 Favored Glycine 0 N--CA 1.471 0.981 0 C-N-CA 123.682 0.658 . . . . 0.0 112.402 174.478 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 9' ' ' SER . . . . . . . . . . . . . 22.5 m -54.05 -42.85 69.69 Favored 'General case' 0 N--CA 1.47 0.569 0 C-N-CA 124.148 0.979 . . . . 0.0 112.608 177.294 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 10' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -57.05 -35.91 69.89 Favored 'General case' 0 N--CA 1.475 0.793 0 C-N-CA 123.936 0.895 . . . . 0.0 112.627 -177.866 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 19.5 tp -71.6 -31.19 66.65 Favored 'General case' 0 CA--C 1.538 0.51 0 C-N-CA 124.73 1.212 . . . . 0.0 112.47 177.838 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 94.8 t -81.66 -36.81 14.76 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.967 0 C-N-CA 124.722 1.209 . . . . 0.0 109.558 -179.534 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 2.4 mt-10 -52.3 -52.58 52.17 Favored 'General case' 0 N--CA 1.451 -0.424 0 C-N-CA 125.711 1.604 . . . . 0.0 110.628 164.043 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -58.05 -52.22 66.43 Favored 'General case' 0 N--CA 1.451 -0.415 0 CA-C-O 117.968 -1.015 . . . . 0.0 111.451 179.597 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 3.7 mm? -54.39 -38.57 66.34 Favored 'General case' 0 N--CA 1.471 0.602 0 CA-C-N 119.54 1.064 . . . . 0.0 112.413 177.249 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 16' ' ' TYR . . . . . . . . . . . . . 79.3 t80 -63.37 -46.37 86.8 Favored 'General case' 0 CA--C 1.539 0.529 0 CA-C-N 119.09 0.859 . . . . 0.0 112.168 171.525 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 27.1 mt -64.53 -43.93 92.45 Favored 'General case' 0 CA--C 1.537 0.467 0 C-N-CA 124.514 1.126 . . . . 0.0 112.517 -178.012 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 18' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -80.98 -43.34 20.66 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.202 0 CA-C-N 118.541 0.61 . . . . 0.0 112.157 -178.24 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 19' ' ' CYS . . . . . . . . . . . . . 24.2 t -102.34 -42.54 5.96 Favored 'General case' 0 CA--C 1.54 0.59 0 N-CA-C 113.733 1.012 . . . . 0.0 113.733 -170.224 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.474 1.22 0 C-N-CA 124.144 0.878 . . . . 0.0 113.969 -167.339 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 7.9 tp . . . . . 0 N--CA 1.482 1.17 0 N-CA-C 113.964 1.098 . . . . 0.0 113.964 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 60.3 t -63.67 -32.34 56.5 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.987 0 C-N-CA 124.098 0.959 . . . . 0.0 111.118 176.792 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 40.2 mt-10 -81.24 5.79 16.04 Favored 'General case' 0 CA--C 1.546 0.803 0 C-N-CA 125.218 1.407 . . . . 0.0 112.368 175.42 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 18.9 mm-40 -110.94 -63.84 1.35 Allowed 'General case' 0 CA--C 1.534 0.354 0 C-N-CA 124.368 1.067 . . . . 0.0 110.224 164.212 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 86.9 m -83.65 -30.65 26.68 Favored 'General case' 0 N--CA 1.469 0.491 0 N-CA-C 115.394 1.627 . . . . 0.0 115.394 -167.93 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 25.4 t -83.76 -26.4 29.7 Favored 'General case' 0 N--CA 1.475 0.796 0 CA-C-N 119.577 1.08 . . . . 0.0 113.012 -179.336 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 8.4 t -85.08 -34.94 22.13 Favored 'General case' 0 N--CA 1.473 0.722 0 C-N-CA 124.661 1.184 . . . . 0.0 112.905 177.363 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 60.7 m -145.8 172.52 13.19 Favored 'General case' 0 CA--C 1.544 0.741 0 C-N-CA 124.898 1.279 . . . . 0.0 112.426 -172.493 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 21.9 mm -61.52 124.57 16.25 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.837 0 O-C-N 120.85 -1.156 . . . . 0.0 108.732 166.222 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 23.7 p -110.94 147.02 35.56 Favored 'General case' 0 N--CA 1.469 0.497 0 C-N-CA 123.392 0.677 . . . . 0.0 112.044 171.953 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 50.8 m -95.32 151.03 19.61 Favored 'General case' 0 N--CA 1.469 0.509 0 C-N-CA 123.878 0.871 . . . . 0.0 112.166 175.844 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . 0.404 HD23 ' H ' ' A' ' 13' ' ' LEU . 1.5 pt? -56.22 -43.04 78.17 Favored 'General case' 0 N--CA 1.462 0.156 0 C-N-CA 124.203 1.001 . . . . 0.0 111.754 -176.727 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 18.1 p90 -65.96 -15.1 62.69 Favored 'General case' 0 CA--C 1.538 0.482 0 N-CA-C 114.785 1.402 . . . . 0.0 114.785 -176.01 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 3.7 pt20 -112.17 -30.22 7.3 Favored 'General case' 0 N--CA 1.468 0.446 0 C-N-CA 123.741 0.816 . . . . 0.0 110.501 -178.953 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -68.21 -36.49 79.62 Favored 'General case' 0 CA--C 1.55 0.971 0 C-N-CA 123.77 0.828 . . . . 0.0 110.79 171.285 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 12.2 mt-10 -49.07 -36.69 19.04 Favored 'General case' 0 N--CA 1.479 0.999 0 C-N-CA 126.569 1.948 . . . . 0.0 112.596 173.504 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 5.0 m-80 -64.83 -19.43 65.85 Favored 'General case' 0 CA--C 1.543 0.678 0 N-CA-C 112.946 0.721 . . . . 0.0 112.946 -176.341 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 93.5 m-85 -87.21 -2.5 58.67 Favored 'General case' 0 CA--C 1.546 0.795 0 C-N-CA 125.117 1.367 . . . . 0.0 113.506 177.129 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 17.2 t -73.13 -26.85 61.38 Favored 'General case' 0 CA--C 1.544 0.726 0 C-N-CA 123.567 0.747 . . . . 0.0 112.703 168.869 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--O 1.251 1.155 0 C-N-CA 125.571 1.548 . . . . 0.0 112.424 178.429 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 1' ' ' PHE . . . . . . . . . . . . . 75.1 t80 . . . . . 0 N--CA 1.485 1.32 0 CA-C-O 119.787 -0.149 . . . . 0.0 110.793 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' B' B ' 2' ' ' VAL . . . . . . . . . . . . . 94.8 t -129.81 120.91 51.17 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.0 0 C-N-CA 125.115 1.366 . . . . 0.0 108.502 172.345 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 3' ' ' ASN . . . . . . . . . . . . . 55.8 m-20 -60.17 117.05 4.67 Favored 'General case' 0 CA--C 1.535 0.404 0 C-N-CA 123.477 0.711 . . . . 0.0 110.287 171.727 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 4' ' ' GLN . . . . . . . . . . . . . 10.5 pt20 -158.7 -177.72 6.73 Favored 'General case' 0 CA--C 1.533 0.324 0 C-N-CA 123.957 0.903 . . . . 0.0 110.847 -174.949 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 5' ' ' HIS . . . . . . . . . . . . . 83.4 m-70 -83.14 124.25 30.31 Favored 'General case' 0 CA--C 1.544 0.745 0 C-N-CA 124.004 0.922 . . . . 0.0 110.685 171.443 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 77.6 mt -135.47 128.98 32.46 Favored 'General case' 0 N--CA 1.472 0.633 0 C-N-CA 125.275 1.43 . . . . 0.0 110.854 -173.106 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 7' ' ' CYS . . . . . . . . . . . . . 61.2 m -140.72 153.17 45.81 Favored 'General case' 0 N--CA 1.471 0.603 0 C-N-CA 125.903 1.681 . . . . 0.0 110.207 -176.372 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 8' ' ' GLY . . . . . . . . . . . . . . . 57.81 -131.54 52.1 Favored Glycine 0 N--CA 1.473 1.1 0 C-N-CA 123.745 0.688 . . . . 0.0 112.918 172.028 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 9' ' ' SER . . . . . . . . . . . . . 20.4 m -54.42 -42.52 70.6 Favored 'General case' 0 N--CA 1.472 0.642 0 C-N-CA 124.077 0.951 . . . . 0.0 112.376 176.986 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 10' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -57.75 -30.55 65.7 Favored 'General case' 0 N--CA 1.474 0.74 0 C-N-CA 123.931 0.892 . . . . 0.0 112.825 179.063 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 17.2 tp -79.5 -26.7 41.52 Favored 'General case' 0 CA--C 1.542 0.661 0 C-N-CA 124.678 1.191 . . . . 0.0 112.967 177.692 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 92.7 t -80.99 -34.01 13.47 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.199 0 C-N-CA 124.822 1.249 . . . . 0.0 109.813 176.158 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 2.4 mt-10 -52.5 -51.82 57.57 Favored 'General case' 0 N--CA 1.45 -0.455 0 C-N-CA 124.961 1.305 . . . . 0.0 110.584 158.998 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -53.63 -54.91 31.04 Favored 'General case' 0 CA--C 1.532 0.268 0 C-N-CA 123.581 0.752 . . . . 0.0 111.792 -178.974 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 4.1 mm? -55.86 -35.22 66.22 Favored 'General case' 0 N--CA 1.471 0.589 0 C-N-CA 123.462 0.705 . . . . 0.0 112.413 177.677 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 16' ' ' TYR . . . . . . . . . . . . . 84.9 t80 -65.55 -46.77 78.26 Favored 'General case' 0 CA--C 1.54 0.589 0 CA-C-N 119.272 0.942 . . . . 0.0 112.111 170.082 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 28.7 mt -64.34 -40.8 96.6 Favored 'General case' 0 N--CA 1.469 0.478 0 C-N-CA 124.028 0.931 . . . . 0.0 112.632 -175.389 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 18' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -76.16 -51.14 20.66 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.037 0 C-N-CA 123.414 0.686 . . . . 0.0 112.789 172.942 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 19' ' ' CYS . . . . . . . . . . . . . 9.5 t -112.26 -33.6 6.17 Favored 'General case' 0 N--CA 1.475 0.782 0 N-CA-C 114.979 1.474 . . . . 0.0 114.979 -163.765 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.477 1.399 0 O-C-N 121.418 -0.801 . . . . 0.0 113.719 -172.359 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 7.8 tp . . . . . 0 N--CA 1.482 1.159 0 N-CA-C 113.845 1.054 . . . . 0.0 113.845 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 93.5 t -62.6 -33.88 62.09 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.983 0 C-N-CA 123.691 0.796 . . . . 0.0 111.175 176.885 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 41.0 mt-10 -79.01 -8.56 59.04 Favored 'General case' 0 CA--C 1.542 0.661 0 C-N-CA 124.035 0.934 . . . . 0.0 112.589 177.0 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 29.6 mm100 -91.94 -50.62 5.62 Favored 'General case' 0 CA--C 1.535 0.372 0 O-C-N 121.532 -0.73 . . . . 0.0 110.813 168.04 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 98.9 m -99.78 -28.32 13.21 Favored 'General case' 0 N--CA 1.472 0.673 0 N-CA-C 116.381 1.993 . . . . 0.0 116.381 -166.264 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 49.7 t -83.85 -40.65 18.4 Favored 'General case' 0 N--CA 1.477 0.917 0 N-CA-C 113.934 1.087 . . . . 0.0 113.934 -177.994 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 6.6 t -74.79 -31.56 61.77 Favored 'General case' 0 N--CA 1.478 0.972 0 C-N-CA 124.554 1.141 . . . . 0.0 112.941 -177.89 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 74.7 m -156.19 172.65 18.08 Favored 'General case' 0 N--CA 1.469 0.485 0 C-N-CA 128.019 2.528 . . . . 0.0 109.15 -173.611 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 31.4 mt -75.85 125.63 35.72 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.455 0 O-C-N 121.198 -0.939 . . . . 0.0 111.121 -179.691 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 28.9 p -98.11 169.8 9.36 Favored 'General case' 0 CA--C 1.537 0.467 0 C-N-CA 124.587 1.155 . . . . 0.0 112.164 171.813 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 72.3 m -127.66 151.95 48.31 Favored 'General case' 0 C--O 1.236 0.358 0 C-N-CA 124.586 1.154 . . . . 0.0 111.68 -178.598 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 1.4 pt? -53.92 -42.73 69.09 Favored 'General case' 0 N--CA 1.463 0.196 0 C-N-CA 124.57 1.148 . . . . 0.0 111.915 -172.733 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 21.4 p90 -65.97 -14.47 61.65 Favored 'General case' 0 CA--C 1.537 0.45 0 N-CA-C 114.769 1.396 . . . . 0.0 114.769 -175.017 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 6.8 pt20 -117.27 -30.83 5.49 Favored 'General case' 0 N--CA 1.466 0.328 0 C-N-CA 123.365 0.666 . . . . 0.0 110.978 -178.986 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -69.75 -34.95 74.51 Favored 'General case' 0 CA--C 1.549 0.915 0 C-N-CA 123.687 0.795 . . . . 0.0 111.07 176.826 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 15.2 mt-10 -48.78 -36.86 17.53 Favored 'General case' 0 N--CA 1.48 1.032 0 C-N-CA 126.048 1.739 . . . . 0.0 112.222 170.289 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 1.7 t-20 -58.73 -27.98 65.41 Favored 'General case' 0 CA--C 1.542 0.656 0 C-N-CA 124.387 1.075 . . . . 0.0 113.072 -176.312 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 88.9 m-85 -85.07 -3.37 58.77 Favored 'General case' 0 CA--C 1.543 0.707 0 C-N-CA 125.798 1.639 . . . . 0.0 113.608 -179.48 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 14.8 t -72.84 -26.83 61.61 Favored 'General case' 0 CA--C 1.545 0.779 0 C-N-CA 123.622 0.769 . . . . 0.0 112.755 171.455 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 24.5 t-20 . . . . . 0 C--O 1.253 1.247 0 C-N-CA 125.643 1.577 . . . . 0.0 113.017 178.503 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' B' B ' 1' ' ' PHE . . . . . . . . . . . . . 67.1 t80 . . . . . 0 N--CA 1.487 1.415 0 CA-C-O 119.561 -0.257 . . . . 0.0 110.832 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' B' B ' 2' ' ' VAL . . . . . . . . . . . . . 71.7 t -125.14 118.89 54.21 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.929 0 C-N-CA 124.907 1.283 . . . . 0.0 108.647 173.211 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 3' ' ' ASN . . . . . . . . . . . . . 9.4 m120 -70.18 105.11 2.82 Favored 'General case' 0 CA--C 1.542 0.664 0 C-N-CA 123.624 0.77 . . . . 0.0 110.188 173.149 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 4' ' ' GLN . . . . . . . . . . . . . 28.4 pt20 -160.79 -177.81 6.41 Favored 'General case' 0 CA--C 1.538 0.5 0 C-N-CA 125.985 1.714 . . . . 0.0 110.406 -179.189 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 5' ' ' HIS . . . . . . . . . . . . . 69.6 m-70 -84.46 124.8 31.75 Favored 'General case' 0 CA--C 1.544 0.718 0 C-N-CA 124.033 0.933 . . . . 0.0 110.853 179.476 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 72.5 mt -136.99 134.35 36.55 Favored 'General case' 0 N--CA 1.473 0.707 0 C-N-CA 125.739 1.616 . . . . 0.0 109.645 -173.596 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 7' ' ' CYS . . . . . . . . . . . . . 3.0 t -140.16 -50.66 0.48 Allowed 'General case' 0 N--CA 1.48 1.039 0 N-CA-C 116.55 2.056 . . . . 0.0 116.55 -167.626 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 8' ' ' GLY . . . . . . . . . . . . . . . -103.42 -123.59 5.3 Favored Glycine 0 CA--C 1.526 0.747 0 C-N-CA 124.045 0.831 . . . . 0.0 111.791 -173.595 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 9' ' ' SER . . . . . . . . . . . . . 21.5 t -52.5 -39.01 60.79 Favored 'General case' 0 N--CA 1.476 0.855 0 CA-C-N 117.758 0.779 . . . . 0.0 111.345 169.562 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 10' ' ' HIS . . . . . . . . . . . . . 9.3 m-70 -50.22 -31.97 15.29 Favored 'General case' 0 CA--C 1.545 0.774 0 C-N-CA 125.228 1.411 . . . . 0.0 114.728 173.358 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 18.1 tp -83.97 -24.18 30.74 Favored 'General case' 0 CA--C 1.541 0.615 0 C-N-CA 124.498 1.119 . . . . 0.0 113.007 178.479 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 98.6 t -80.86 -35.97 15.06 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.034 0 C-N-CA 125.018 1.327 . . . . 0.0 109.405 175.066 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 2.4 mm-40 -52.78 -49.55 65.35 Favored 'General case' 0 N--CA 1.45 -0.464 0 C-N-CA 125.766 1.627 . . . . 0.0 110.61 159.707 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -52.55 -56.57 14.32 Favored 'General case' 0 CA--C 1.534 0.338 0 CA-C-N 119.353 0.979 . . . . 0.0 111.075 178.591 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 4.0 mm? -55.12 -35.08 64.3 Favored 'General case' 0 N--CA 1.471 0.578 0 C-N-CA 123.619 0.767 . . . . 0.0 112.971 177.946 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 16' ' ' TYR . . . . . . . . . . . . . 88.5 t80 -66.9 -45.57 77.58 Favored 'General case' 0 CA--C 1.541 0.603 0 CA-C-N 119.699 1.136 . . . . 0.0 112.606 171.632 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 41.4 mt -66.11 -36.47 83.24 Favored 'General case' 0 N--CA 1.469 0.502 0 C-N-CA 124.962 1.305 . . . . 0.0 112.569 -176.316 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 18' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -82.22 -63.29 1.21 Allowed 'Isoleucine or valine' 0 N--CA 1.478 0.957 0 C-N-CA 123.408 0.683 . . . . 0.0 112.4 170.829 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 19' ' ' CYS . . . . . . . . . . . . . 10.9 t -88.57 -24.83 22.76 Favored 'General case' 0 N--CA 1.471 0.592 0 N-CA-C 113.979 1.103 . . . . 0.0 113.979 -161.835 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.47 0.917 0 C-N-CA 124.441 1.019 . . . . 0.0 111.866 178.508 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 8.3 tp . . . . . 0 N--CA 1.482 1.159 0 N-CA-C 113.809 1.04 . . . . 0.0 113.809 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 77.2 t -62.57 -34.66 66.24 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.047 0 C-N-CA 123.908 0.883 . . . . 0.0 110.874 177.33 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 42.2 mt-10 -77.66 -1.03 28.96 Favored 'General case' 0 CA--C 1.544 0.746 0 C-N-CA 124.66 1.184 . . . . 0.0 112.592 176.66 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 13.7 mm-40 -109.22 -43.74 4.09 Favored 'General case' 0 CA--C 1.534 0.331 0 O-C-N 121.058 -1.027 . . . . 0.0 112.462 170.235 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 92.5 m -103.6 -26.2 12.89 Favored 'General case' 0 N--CA 1.473 0.707 0 N-CA-C 115.787 1.773 . . . . 0.0 115.787 -169.56 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 43.4 t -86.69 -32.25 20.59 Favored 'General case' 0 N--CA 1.479 0.979 0 N-CA-C 113.476 0.917 . . . . 0.0 113.476 179.275 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 6.0 t -74.86 -33.03 62.04 Favored 'General case' 0 N--CA 1.476 0.869 0 C-N-CA 124.824 1.25 . . . . 0.0 112.842 178.501 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 85.4 p -168.27 178.59 4.87 Favored 'General case' 0 CA--C 1.538 0.482 0 C-N-CA 127.048 2.139 . . . . 0.0 110.379 -172.737 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 12.0 mt -76.37 125.94 36.58 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.455 0 O-C-N 121.055 -1.028 . . . . 0.0 111.965 -173.733 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 29.8 p -104.89 152.73 22.29 Favored 'General case' 0 CA--C 1.538 0.502 0 C-N-CA 125.205 1.402 . . . . 0.0 111.522 171.678 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 50.9 m -96.04 151.38 19.5 Favored 'General case' 0 N--CA 1.472 0.648 0 C-N-CA 123.704 0.801 . . . . 0.0 112.277 175.69 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 1.7 pt? -57.08 -41.33 78.65 Favored 'General case' 0 N--CA 1.465 0.321 0 C-N-CA 123.749 0.82 . . . . 0.0 111.874 -176.841 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 15.1 p90 -67.28 -11.32 57.22 Favored 'General case' 0 CA--C 1.536 0.424 0 N-CA-C 114.893 1.442 . . . . 0.0 114.893 -176.291 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 3.8 pt20 -117.0 -31.95 5.22 Favored 'General case' 0 N--CA 1.464 0.249 0 C-N-CA 123.94 0.896 . . . . 0.0 110.555 179.473 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -65.92 -34.0 77.11 Favored 'General case' 0 CA--C 1.548 0.87 0 CA-C-N 119.472 1.033 . . . . 0.0 110.93 173.37 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 13.6 mt-10 -46.4 -36.63 6.67 Favored 'General case' 0 N--CA 1.477 0.891 0 C-N-CA 126.271 1.828 . . . . 0.0 112.705 171.138 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 91.9 m-20 -62.75 -25.4 68.18 Favored 'General case' 0 CA--C 1.541 0.623 0 C-N-CA 124.365 1.066 . . . . 0.0 112.814 -174.951 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 83.4 m-85 -86.52 -3.56 59.04 Favored 'General case' 0 CA--C 1.542 0.673 0 C-N-CA 125.905 1.682 . . . . 0.0 113.369 -177.543 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 22.8 t -72.01 -27.17 62.55 Favored 'General case' 0 CA--C 1.545 0.765 0 C-N-CA 123.686 0.794 . . . . 0.0 112.698 169.318 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--O 1.252 1.218 0 C-N-CA 125.551 1.541 . . . . 0.0 112.435 178.617 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 1' ' ' PHE . . . . . . . . . . . . . 49.1 t80 . . . . . 0 N--CA 1.486 1.361 0 CA-C-O 119.586 -0.245 . . . . 0.0 110.633 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' B' B ' 2' ' ' VAL . . . . . . . . . . . . . 21.8 m -131.62 134.06 60.9 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.96 0 C-N-CA 124.244 1.018 . . . . 0.0 109.575 164.451 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 3' ' ' ASN . . . . . . . . . . . . . 73.1 m-20 -64.28 125.3 24.13 Favored 'General case' 0 CA--C 1.538 0.505 0 N-CA-C 109.424 -0.584 . . . . 0.0 109.424 169.439 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 4' ' ' GLN . . . . . . . . . . . . . 24.6 pt20 -161.31 -179.25 7.26 Favored 'General case' 0 CA--C 1.535 0.39 0 C-N-CA 125.036 1.334 . . . . 0.0 110.247 -170.36 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 5' ' ' HIS . . . . . . . . . . . . . 83.5 m-70 -85.1 129.88 34.72 Favored 'General case' 0 CA--C 1.541 0.632 0 C-N-CA 123.821 0.849 . . . . 0.0 110.697 172.864 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 75.6 mt -138.62 130.94 28.63 Favored 'General case' 0 N--CA 1.47 0.564 0 C-N-CA 124.577 1.151 . . . . 0.0 111.188 -171.428 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 7' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -153.46 146.76 24.78 Favored 'General case' 0 N--CA 1.468 0.46 0 C-N-CA 123.588 0.755 . . . . 0.0 111.231 179.517 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 8' ' ' GLY . . . . . . . . . . . . . . . 57.37 -124.45 35.96 Favored Glycine 0 CA--C 1.532 1.102 0 C-N-CA 124.056 0.836 . . . . 0.0 112.704 179.233 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 9' ' ' SER . . . . . . . . . . . . . 8.8 t -55.84 -38.93 70.72 Favored 'General case' 0 N--CA 1.472 0.648 0 C-N-CA 123.899 0.88 . . . . 0.0 112.621 178.57 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 10' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -63.03 -35.22 79.49 Favored 'General case' 0 N--CA 1.473 0.692 0 O-C-N 120.763 -1.21 . . . . 0.0 112.483 175.991 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 15.6 tp -74.19 -41.0 62.13 Favored 'General case' 0 CA--C 1.538 0.487 0 C-N-CA 124.042 0.937 . . . . 0.0 111.159 178.41 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 95.0 t -60.11 -41.82 87.85 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.166 0 C-N-CA 124.025 0.93 . . . . 0.0 111.345 170.215 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 22.2 mt-10 -58.94 -49.61 77.19 Favored 'General case' 0 CA--C 1.533 0.299 0 C-N-CA 123.252 0.621 . . . . 0.0 111.511 171.698 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -58.39 -46.76 85.74 Favored 'General case' 0 CA--C 1.534 0.333 0 CA-C-N 119.822 1.192 . . . . 0.0 112.527 178.051 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 3.9 mm? -56.43 -34.48 66.84 Favored 'General case' 0 N--CA 1.471 0.613 0 C-N-CA 123.598 0.759 . . . . 0.0 112.142 175.827 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 16' ' ' TYR . . . . . . . . . . . . . 79.0 t80 -65.27 -46.01 82.21 Favored 'General case' 0 CA--C 1.539 0.544 0 O-C-N 121.309 -0.87 . . . . 0.0 112.162 169.373 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 82.1 mt -62.93 -45.76 90.97 Favored 'General case' 0 N--CA 1.471 0.575 0 CA-C-N 119.237 0.926 . . . . 0.0 112.574 -179.259 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 18' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -73.33 -44.71 54.45 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.952 0 N-CA-C 112.815 0.672 . . . . 0.0 112.815 178.028 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 19' ' ' CYS . . . . . . . . . . . . . 11.3 t -122.43 -26.85 4.53 Favored 'General case' 0 N--CA 1.477 0.882 0 N-CA-C 115.567 1.691 . . . . 0.0 115.567 -165.125 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.475 1.263 0 O-C-N 121.342 -0.849 . . . . 0.0 113.19 -176.632 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 6.4 tp . . . . . 0 N--CA 1.485 1.275 0 N-CA-C 114.103 1.149 . . . . 0.0 114.103 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 92.7 t -62.69 -34.76 67.2 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.963 0 O-C-N 121.469 -0.769 . . . . 0.0 111.083 176.82 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 33.8 mm-40 -79.58 0.24 30.78 Favored 'General case' 0 CA--C 1.545 0.766 0 C-N-CA 123.855 0.862 . . . . 0.0 112.953 176.347 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 7.1 tp-100 -100.73 -55.17 2.65 Favored 'General case' 0 CA--C 1.538 0.509 0 C-N-CA 124.479 1.111 . . . . 0.0 109.89 168.289 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 58.6 m -92.46 -32.01 15.06 Favored 'General case' 0 N--CA 1.469 0.503 0 N-CA-C 115.86 1.8 . . . . 0.0 115.86 -168.435 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 17.8 t -76.46 -29.61 57.0 Favored 'General case' 0 N--CA 1.477 0.908 0 CA-C-N 119.472 1.033 . . . . 0.0 113.104 -179.137 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 7.3 t -87.22 -30.3 21.07 Favored 'General case' 0 N--CA 1.475 0.816 0 C-N-CA 125.151 1.38 . . . . 0.0 113.498 -177.331 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 72.1 m -150.37 170.31 19.34 Favored 'General case' 0 N--CA 1.473 0.697 0 C-N-CA 125.067 1.347 . . . . 0.0 112.057 -170.853 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 25.7 mm -55.96 129.05 17.05 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.836 0 O-C-N 121.332 -0.855 . . . . 0.0 109.762 169.138 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 15.9 p -124.25 152.51 42.9 Favored 'General case' 0 CA--C 1.536 0.436 0 CA-C-O 121.702 0.763 . . . . 0.0 112.316 168.099 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 26.4 m -116.81 153.14 32.98 Favored 'General case' 0 N--CA 1.47 0.548 0 C-N-CA 124.694 1.198 . . . . 0.0 112.2 -175.976 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 1.9 pt? -57.65 -40.88 80.32 Favored 'General case' 0 CA--C 1.53 0.193 0 O-C-N 121.449 -0.782 . . . . 0.0 111.898 -173.276 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 21.0 p90 -68.2 -12.86 61.68 Favored 'General case' 0 CA--C 1.536 0.435 0 C-N-CA 125.092 1.357 . . . . 0.0 114.35 -174.234 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 3.9 pt20 -116.77 -24.63 7.62 Favored 'General case' 0 C--O 1.222 -0.344 0 C-N-CA 124.445 1.098 . . . . 0.0 111.175 178.949 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -77.48 -26.8 51.63 Favored 'General case' 0 CA--C 1.547 0.863 0 CA-C-N 119.439 1.018 . . . . 0.0 111.613 174.473 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 22.0 mt-10 -52.76 -28.43 22.25 Favored 'General case' 0 N--CA 1.48 1.044 0 C-N-CA 124.493 1.117 . . . . 0.0 112.361 166.886 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 76.6 m-20 -61.7 -27.06 68.44 Favored 'General case' 0 CA--C 1.541 0.626 0 C-N-CA 123.215 0.606 . . . . 0.0 112.168 -177.166 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 67.8 m-85 -85.98 1.68 49.21 Favored 'General case' 0 CA--C 1.548 0.866 0 C-N-CA 126.625 1.97 . . . . 0.0 112.91 -179.674 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 18.8 t -68.97 -24.61 64.26 Favored 'General case' 0 CA--C 1.546 0.791 0 C-N-CA 125.366 1.466 . . . . 0.0 112.955 169.317 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 68.3 m-80 . . . . . 0 C--O 1.252 1.202 0 C-N-CA 125.744 1.618 . . . . 0.0 112.822 178.061 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' B' B ' 1' ' ' PHE . . . . . . . . . . . . . 42.1 t80 . . . . . 0 N--CA 1.487 1.382 0 CA-C-O 119.775 -0.155 . . . . 0.0 110.61 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' B' B ' 2' ' ' VAL . . . . . . . . . . . . . 89.8 t -130.14 124.23 57.68 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.043 0 C-N-CA 124.958 1.303 . . . . 0.0 108.459 171.306 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 3' ' ' ASN . . . . . . . . . . . . . 70.9 m-20 -69.33 118.29 12.03 Favored 'General case' 0 CA--C 1.535 0.399 0 C-N-CA 123.352 0.661 . . . . 0.0 109.522 175.995 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 4' ' ' GLN . . . . . . . . . . . . . 14.4 pt20 -159.89 178.82 9.36 Favored 'General case' 0 CA--C 1.535 0.371 0 C-N-CA 123.31 0.644 . . . . 0.0 111.658 -165.861 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 5' ' ' HIS . . . . . . . . . . . . . 66.6 m-70 -80.06 125.98 30.47 Favored 'General case' 0 CA--C 1.544 0.742 0 C-N-CA 123.822 0.849 . . . . 0.0 109.811 167.141 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 96.0 mt -128.28 132.26 48.71 Favored 'General case' 0 N--CA 1.471 0.588 0 C-N-CA 124.595 1.158 . . . . 0.0 110.561 -178.505 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 7' ' ' CYS . . . . . . . . . . . . . 2.4 t -160.87 154.17 21.73 Favored 'General case' 0 N--CA 1.468 0.464 0 C-N-CA 124.237 1.015 . . . . 0.0 111.428 -177.263 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 8' ' ' GLY . . . . . . . . . . . . . . . 62.88 -137.83 44.14 Favored Glycine 0 CA--C 1.528 0.892 0 N-CA-C 111.22 -0.752 . . . . 0.0 111.22 -174.156 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 9' ' ' SER . . . . . . . . . . . . . 22.2 m -54.41 -40.95 68.76 Favored 'General case' 0 N--CA 1.472 0.626 0 C-N-CA 124.143 0.977 . . . . 0.0 112.763 177.946 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 10' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -55.23 -37.43 67.15 Favored 'General case' 0 N--CA 1.474 0.736 0 C-N-CA 124.23 1.012 . . . . 0.0 113.039 -178.168 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 18.6 tp -70.47 -33.08 70.85 Favored 'General case' 0 CA--C 1.537 0.451 0 C-N-CA 124.612 1.165 . . . . 0.0 112.209 176.863 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 87.3 t -80.67 -35.82 15.25 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.831 0 C-N-CA 124.355 1.062 . . . . 0.0 109.398 -176.782 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 2.4 mt-10 -53.29 -54.69 32.63 Favored 'General case' 0 N--CA 1.451 -0.394 0 C-N-CA 125.617 1.567 . . . . 0.0 110.576 163.553 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -58.26 -50.43 73.59 Favored 'General case' 0 N--CA 1.454 -0.268 0 CA-C-O 118.503 -0.76 . . . . 0.0 111.642 -179.793 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 4.1 mm? -58.04 -36.82 73.28 Favored 'General case' 0 N--CA 1.466 0.374 0 CA-C-N 119.442 1.019 . . . . 0.0 111.97 176.807 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 16' ' ' TYR . . . . . . . . . . . . . 86.9 t80 -62.28 -41.08 98.18 Favored 'General case' 0 N--CA 1.469 0.521 0 CA-C-N 120.636 1.562 . . . . 0.0 112.304 170.804 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 19.3 mt -71.17 -41.0 70.92 Favored 'General case' 0 CA--C 1.54 0.576 0 C-N-CA 124.184 0.993 . . . . 0.0 112.766 -176.788 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 18' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -91.16 -39.75 11.99 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.473 0 N-CA-C 113.323 0.86 . . . . 0.0 113.323 -179.491 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 19' ' ' CYS . . . . . . . . . . . . . 41.8 t -101.1 -44.79 5.59 Favored 'General case' 0 N--CA 1.472 0.663 0 C-N-CA 123.872 0.869 . . . . 0.0 112.3 -175.919 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.474 1.226 0 CA-C-N 118.625 0.648 . . . . 0.0 113.479 -172.517 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 6.8 tp . . . . . 0 N--CA 1.484 1.244 0 N-CA-C 113.781 1.03 . . . . 0.0 113.781 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 87.2 t -62.23 -32.52 55.04 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.904 0 C-N-CA 123.757 0.823 . . . . 0.0 111.101 178.519 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 36.9 mt-10 -81.58 -1.32 45.96 Favored 'General case' 0 CA--C 1.546 0.806 0 C-N-CA 124.17 0.988 . . . . 0.0 112.752 177.549 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 40.1 tp60 -104.26 -43.79 5.13 Favored 'General case' 0 CA--C 1.537 0.463 0 C-N-CA 124.236 1.014 . . . . 0.0 111.016 170.552 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 69.2 m -100.31 -34.82 9.83 Favored 'General case' 0 N--CA 1.472 0.649 0 N-CA-C 115.893 1.812 . . . . 0.0 115.893 -172.193 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 14.7 t -77.48 -26.27 51.18 Favored 'General case' 0 N--CA 1.48 1.038 0 O-C-N 120.849 -1.157 . . . . 0.0 113.37 -177.703 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 4.8 t -95.92 -19.28 19.66 Favored 'General case' 0 N--CA 1.475 0.804 0 C-N-CA 125.764 1.626 . . . . 0.0 113.716 -178.276 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 22.0 p -158.92 166.3 32.15 Favored 'General case' 0 N--CA 1.473 0.704 0 C-N-CA 124.818 1.247 . . . . 0.0 112.702 -169.958 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 23.6 mm -62.02 121.21 9.93 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.798 0 O-C-N 121.23 -0.919 . . . . 0.0 108.981 170.668 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 29.0 p -108.51 146.75 32.73 Favored 'General case' 0 N--CA 1.468 0.433 0 C-N-CA 123.302 0.641 . . . . 0.0 111.814 171.195 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 50.0 m -96.03 151.24 19.63 Favored 'General case' 0 N--CA 1.471 0.607 0 CA-C-O 121.483 0.658 . . . . 0.0 112.32 177.562 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 1.7 pt? -59.46 -39.1 82.58 Favored 'General case' 0 N--CA 1.464 0.241 0 O-C-N 121.421 -0.799 . . . . 0.0 112.557 -173.479 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 26.5 p90 -70.64 -13.69 62.18 Favored 'General case' 0 CA--C 1.536 0.432 0 C-N-CA 124.914 1.286 . . . . 0.0 114.11 -174.907 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 3.6 pt20 -113.11 -33.45 6.01 Favored 'General case' 0 N--CA 1.465 0.304 0 C-N-CA 124.048 0.939 . . . . 0.0 110.811 -179.266 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -66.69 -35.86 81.13 Favored 'General case' 0 CA--C 1.538 0.505 0 CA-C-N 119.024 0.829 . . . . 0.0 111.068 177.964 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -76.31 -16.55 59.74 Favored 'General case' 0 CA--C 1.533 0.291 0 N-CA-C 113.022 0.749 . . . . 0.0 113.022 -179.371 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 1.1 t-20 -57.76 -29.88 65.16 Favored 'General case' 0 CA--C 1.544 0.744 0 C-N-CA 124.049 0.939 . . . . 0.0 112.406 171.038 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 95.4 m-85 -77.44 -5.8 51.15 Favored 'General case' 0 CA--C 1.545 0.764 0 C-N-CA 125.83 1.652 . . . . 0.0 113.713 177.35 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 12.4 t -69.89 -24.1 63.35 Favored 'General case' 0 CA--C 1.545 0.759 0 C-N-CA 124.156 0.982 . . . . 0.0 113.123 175.68 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 68.2 m-80 . . . . . 0 C--O 1.254 1.318 0 C-N-CA 125.766 1.626 . . . . 0.0 112.994 179.726 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' B' B ' 1' ' ' PHE . . . . . . . . . . . . . 43.3 t80 . . . . . 0 N--CA 1.487 1.42 0 CA-C-O 119.576 -0.249 . . . . 0.0 110.729 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' B' B ' 2' ' ' VAL . . . . . . . . . . . . . 95.6 t -129.56 117.68 43.05 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.981 0 C-N-CA 124.843 1.257 . . . . 0.0 109.187 173.407 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 3' ' ' ASN . . . . . . . . . . . . . 71.7 m-20 -61.69 124.02 19.55 Favored 'General case' 0 C--O 1.235 0.331 0 C-N-CA 123.088 0.555 . . . . 0.0 110.243 168.53 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 4' ' ' GLN . . . . . . . . . . . . . 10.4 pt20 -160.45 -179.84 8.01 Favored 'General case' 0 CA--C 1.533 0.306 0 C-N-CA 123.78 0.832 . . . . 0.0 110.813 -171.323 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 5' ' ' HIS . . . . . . . . . . . . . 74.9 m-70 -81.44 125.99 31.11 Favored 'General case' 0 CA--C 1.542 0.644 0 C-N-CA 123.741 0.816 . . . . 0.0 109.861 168.76 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 78.3 mt -133.97 135.53 43.56 Favored 'General case' 0 N--CA 1.471 0.606 0 C-N-CA 124.818 1.247 . . . . 0.0 110.677 -174.297 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 7' ' ' CYS . . . . . . . . . . . . . 1.7 t -156.94 146.8 20.8 Favored 'General case' 0 N--CA 1.468 0.465 0 C-N-CA 123.757 0.823 . . . . 0.0 111.331 -177.346 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 8' ' ' GLY . . . . . . . . . . . . . . . 58.76 -128.18 47.03 Favored Glycine 0 CA--C 1.531 1.052 0 C-N-CA 124.059 0.837 . . . . 0.0 112.578 -179.903 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 9' ' ' SER . . . . . . . . . . . . . 20.6 m -54.62 -39.29 67.78 Favored 'General case' 0 N--CA 1.471 0.609 0 C-N-CA 124.384 1.074 . . . . 0.0 112.692 178.297 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 10' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -62.62 -36.12 81.74 Favored 'General case' 0 CA--C 1.543 0.678 0 O-C-N 121.228 -0.92 . . . . 0.0 112.518 177.182 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 16.5 tp -72.0 -44.59 63.22 Favored 'General case' 0 CA--C 1.536 0.432 0 C-N-CA 124.563 1.145 . . . . 0.0 110.87 177.724 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 92.8 t -59.66 -43.19 90.71 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.013 0 C-N-CA 124.084 0.953 . . . . 0.0 111.229 173.141 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 24.7 mt-10 -59.17 -47.21 86.15 Favored 'General case' 0 CA--C 1.533 0.319 0 C-N-CA 123.897 0.879 . . . . 0.0 111.968 173.26 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -61.36 -45.5 94.14 Favored 'General case' 0 CA--C 1.534 0.33 0 CA-C-N 119.466 1.03 . . . . 0.0 112.435 178.333 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 3.6 mm? -57.66 -37.52 73.53 Favored 'General case' 0 N--CA 1.469 0.523 0 CA-C-N 118.783 0.719 . . . . 0.0 111.73 175.341 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 16' ' ' TYR . . . . . . . . . . . . . 71.6 t80 -62.47 -45.51 92.7 Favored 'General case' 0 CA--C 1.536 0.424 0 CA-C-N 119.125 0.875 . . . . 0.0 111.656 172.372 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 97.6 mt -62.97 -49.88 72.96 Favored 'General case' 0 CA--C 1.533 0.302 0 CA-C-O 118.746 -0.645 . . . . 0.0 111.908 178.719 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 18' ' ' VAL . . . . . . . . . . . . . 0.1 OUTLIER -80.73 -37.39 16.43 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.089 0 N-CA-C 113.607 0.965 . . . . 0.0 113.607 -174.859 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 19' ' ' CYS . . . . . . . . . . . . . 47.7 t -105.79 -36.43 7.03 Favored 'General case' 0 N--CA 1.471 0.619 0 N-CA-C 113.507 0.929 . . . . 0.0 113.507 -171.405 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.081 0 C-N-CA 124.103 0.859 . . . . 0.0 112.787 -176.254 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 7.4 tp . . . . . 0 N--CA 1.486 1.362 0 N-CA-C 114.474 1.287 . . . . 0.0 114.474 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 70.7 t -57.3 -40.97 77.19 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.849 0 C-N-CA 124.235 1.014 . . . . 0.0 111.373 179.025 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 4.0 pt-20 -77.75 0.71 22.57 Favored 'General case' 0 N--CA 1.474 0.757 0 CA-C-N 119.189 0.904 . . . . 0.0 113.344 -179.824 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 15.7 tp60 -104.95 -52.64 2.81 Favored 'General case' 0 CA--C 1.537 0.477 0 C-N-CA 124.209 1.004 . . . . 0.0 110.998 167.711 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 1.5 t -98.88 -22.87 15.59 Favored 'General case' 0 N--CA 1.473 0.708 0 N-CA-C 115.58 1.696 . . . . 0.0 115.58 -166.682 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 14.6 t -73.92 -26.24 60.41 Favored 'General case' 0 N--CA 1.478 0.939 0 O-C-N 121.008 -1.058 . . . . 0.0 112.768 171.217 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 6.4 t -94.87 -34.11 12.56 Favored 'General case' 0 N--CA 1.473 0.686 0 C-N-CA 125.445 1.498 . . . . 0.0 113.181 -179.021 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 58.6 m -143.28 174.64 10.55 Favored 'General case' 0 CA--C 1.546 0.804 0 C-N-CA 125.231 1.412 . . . . 0.0 112.208 -173.618 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 22.8 mm -59.81 133.91 25.13 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.963 0 O-C-N 120.71 -1.244 . . . . 0.0 109.506 168.829 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 20.1 p -115.17 143.24 45.53 Favored 'General case' 0 N--CA 1.47 0.572 0 CA-C-O 121.697 0.76 . . . . 0.0 112.006 159.469 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 13.3 m -92.85 151.85 19.75 Favored 'General case' 0 N--CA 1.468 0.447 0 C-N-CA 124.133 0.973 . . . . 0.0 111.842 175.23 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . 0.404 ' H ' HD22 ' A' ' 13' ' ' LEU . 1.6 pt? -57.15 -42.33 80.83 Favored 'General case' 0 N--CA 1.465 0.277 0 O-C-N 121.407 -0.808 . . . . 0.0 111.815 -174.136 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 22.1 p90 -67.02 -14.25 62.72 Favored 'General case' 0 CA--C 1.537 0.458 0 N-CA-C 114.566 1.321 . . . . 0.0 114.566 -176.068 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 4.0 pt20 -114.39 -29.7 6.8 Favored 'General case' 0 N--CA 1.466 0.364 0 C-N-CA 123.747 0.819 . . . . 0.0 110.683 -179.558 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -68.32 -34.29 75.85 Favored 'General case' 0 CA--C 1.549 0.93 0 CA-C-N 119.336 0.971 . . . . 0.0 110.893 173.252 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 16.0 mt-10 -47.75 -38.96 16.55 Favored 'General case' 0 N--CA 1.478 0.926 0 C-N-CA 126.053 1.741 . . . . 0.0 112.586 171.203 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 8.4 m-80 -68.39 -8.53 41.12 Favored 'General case' 0 CA--C 1.545 0.777 0 C-N-CA 124.427 1.091 . . . . 0.0 113.763 -175.021 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 89.3 m-85 -97.72 -4.16 37.71 Favored 'General case' 0 CA--C 1.544 0.723 0 C-N-CA 125.594 1.558 . . . . 0.0 113.85 175.803 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 45.3 t -67.91 -33.18 74.21 Favored 'General case' 0 N--CA 1.474 0.738 0 O-C-N 121.27 -0.894 . . . . 0.0 113.09 178.522 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--O 1.253 1.261 0 C-N-CA 125.883 1.673 . . . . 0.0 113.24 178.002 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 1' ' ' PHE . . . . . . . . . . . . . 53.0 t80 . . . . . 0 N--CA 1.486 1.368 0 N-CA-C 110.757 -0.09 . . . . 0.0 110.757 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' B' B ' 2' ' ' VAL . . . . . . . . . . . . . 11.2 p -144.26 131.5 16.88 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.868 0 C-N-CA 124.871 1.268 . . . . 0.0 109.045 166.486 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 3' ' ' ASN . . . . . . . . . . . . . 70.1 m-20 -61.82 118.86 7.74 Favored 'General case' 0 CA--C 1.534 0.36 0 N-CA-C 109.499 -0.556 . . . . 0.0 109.499 173.595 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 4' ' ' GLN . . . . . . . . . . . . . 25.5 pt20 -155.45 178.4 10.28 Favored 'General case' 0 CA--C 1.533 0.296 0 CA-C-O 121.488 0.661 . . . . 0.0 111.211 -170.299 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 5' ' ' HIS . . . . . . . . . . . . . 73.3 m-70 -82.86 131.57 35.19 Favored 'General case' 0 CA--C 1.543 0.709 0 C-N-CA 124.176 0.99 . . . . 0.0 110.065 169.938 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 79.6 mt -140.76 137.61 33.53 Favored 'General case' 0 N--CA 1.471 0.582 0 C-N-CA 124.768 1.227 . . . . 0.0 110.889 -172.603 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 7' ' ' CYS . . . . . . . . . . . . . 2.1 t -155.93 146.72 22.09 Favored 'General case' 0 N--CA 1.469 0.523 0 O-C-N 121.619 -0.676 . . . . 0.0 111.831 179.589 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 8' ' ' GLY . . . . . . . . . . . . . . . 59.62 -127.16 43.95 Favored Glycine 0 N--CA 1.471 0.972 0 C-N-CA 123.986 0.803 . . . . 0.0 112.344 -179.983 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 9' ' ' SER . . . . . . . . . . . . . 20.3 m -53.87 -38.65 64.96 Favored 'General case' 0 N--CA 1.47 0.546 0 C-N-CA 124.595 1.158 . . . . 0.0 112.819 178.111 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 10' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -63.74 -35.3 80.13 Favored 'General case' 0 CA--C 1.543 0.701 0 O-C-N 121.257 -0.902 . . . . 0.0 112.543 177.288 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 14.1 tp -75.13 -41.76 57.73 Favored 'General case' 0 CA--C 1.537 0.46 0 C-N-CA 124.359 1.063 . . . . 0.0 111.029 178.268 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 92.2 t -60.1 -42.94 91.7 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.109 0 C-N-CA 124.044 0.938 . . . . 0.0 111.312 171.155 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 22.2 mt-10 -58.43 -48.37 80.91 Favored 'General case' 0 N--CA 1.465 0.29 0 C-N-CA 123.604 0.762 . . . . 0.0 111.66 171.923 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -58.83 -47.34 85.15 Favored 'General case' 0 CA--C 1.535 0.392 0 CA-C-N 119.582 1.083 . . . . 0.0 112.34 178.512 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 3.9 mm? -56.07 -36.73 68.4 Favored 'General case' 0 N--CA 1.472 0.657 0 C-N-CA 123.551 0.74 . . . . 0.0 112.068 175.85 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 16' ' ' TYR . . . . . . . . . . . . . 85.5 t80 -63.38 -43.11 98.54 Favored 'General case' 0 CA--C 1.539 0.528 0 O-C-N 121.371 -0.83 . . . . 0.0 112.275 171.052 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 83.7 mt -66.02 -50.93 62.5 Favored 'General case' 0 CA--C 1.541 0.603 0 CA-C-N 118.87 0.759 . . . . 0.0 111.961 179.742 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 18' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -70.09 -45.27 76.78 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.112 0 N-CA-C 112.576 0.584 . . . . 0.0 112.576 -178.774 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 19' ' ' CYS . . . . . . . . . . . . . 15.9 t -116.58 -33.4 4.89 Favored 'General case' 0 N--CA 1.472 0.635 0 N-CA-C 114.212 1.19 . . . . 0.0 114.212 -166.391 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.474 1.175 0 C-N-CA 123.934 0.778 . . . . 0.0 112.723 -176.282 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 8.4 tp . . . . . 0 N--CA 1.479 1.024 0 N-CA-C 114.551 1.315 . . . . 0.0 114.551 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 77.3 t -70.2 -45.85 74.22 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.073 0 CA-C-N 119.506 1.048 . . . . 0.0 110.448 -175.517 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -81.37 18.79 1.07 Allowed 'General case' 0 CA--C 1.548 0.886 0 N-CA-C 113.042 0.756 . . . . 0.0 113.042 172.315 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 8.1 tp-100 -107.87 -60.5 1.7 Allowed 'General case' 0 CA--C 1.54 0.595 0 C-N-CA 124.437 1.095 . . . . 0.0 109.532 159.175 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 54.3 m -86.37 -31.32 21.56 Favored 'General case' 0 N--CA 1.469 0.52 0 N-CA-C 115.714 1.746 . . . . 0.0 115.714 -169.802 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 36.9 t -82.36 -27.13 32.32 Favored 'General case' 0 N--CA 1.476 0.833 0 CA-C-N 119.775 1.17 . . . . 0.0 113.083 -179.694 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 10.6 t -84.54 -33.46 23.47 Favored 'General case' 0 N--CA 1.476 0.845 0 C-N-CA 124.653 1.181 . . . . 0.0 112.987 178.713 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 60.2 m -146.11 169.24 19.1 Favored 'General case' 0 CA--C 1.544 0.728 0 C-N-CA 125.083 1.353 . . . . 0.0 112.266 -172.985 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 23.5 mm -56.44 131.52 19.98 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.894 0 O-C-N 121.141 -0.975 . . . . 0.0 110.019 171.215 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 14.0 p -129.04 158.07 39.93 Favored 'General case' 0 N--CA 1.469 0.48 0 CA-C-O 121.626 0.727 . . . . 0.0 112.682 168.34 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 23.0 m -119.01 154.14 33.55 Favored 'General case' 0 N--CA 1.47 0.537 0 C-N-CA 124.777 1.231 . . . . 0.0 112.609 -173.744 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 1.9 pt? -59.25 -40.02 84.67 Favored 'General case' 0 N--CA 1.463 0.218 0 O-C-N 121.42 -0.8 . . . . 0.0 112.18 -173.499 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 19.0 p90 -68.54 -13.41 62.31 Favored 'General case' 0 CA--C 1.535 0.394 0 C-N-CA 125.049 1.339 . . . . 0.0 114.144 -174.035 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 3.8 pt20 -111.43 -38.62 4.9 Favored 'General case' 0 C--O 1.223 -0.336 0 C-N-CA 124.175 0.99 . . . . 0.0 109.428 176.859 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -65.21 -27.37 68.63 Favored 'General case' 0 CA--C 1.549 0.907 0 CA-C-N 120.276 1.398 . . . . 0.0 112.679 -178.021 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 30.9 mt-10 -48.43 -37.93 18.43 Favored 'General case' 0 N--CA 1.481 1.082 0 C-N-CA 124.457 1.103 . . . . 0.0 112.444 168.813 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 26.8 m-80 -65.61 -21.22 66.56 Favored 'General case' 0 CA--C 1.542 0.638 0 C-N-CA 124.341 1.056 . . . . 0.0 113.028 -170.237 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 61.0 m-85 -87.82 -9.74 52.97 Favored 'General case' 0 CA--C 1.541 0.632 0 C-N-CA 125.998 1.719 . . . . 0.0 113.296 -178.304 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 16.9 t -70.8 -26.13 63.18 Favored 'General case' 0 CA--C 1.544 0.746 0 C-N-CA 123.896 0.879 . . . . 0.0 113.082 176.906 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 C--O 1.252 1.229 0 C-N-CA 126.172 1.789 . . . . 0.0 111.866 177.026 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 1' ' ' PHE . . . . . . . . . . . . . 41.3 t80 . . . . . 0 N--CA 1.485 1.321 0 N-CA-C 110.244 -0.28 . . . . 0.0 110.244 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' B' B ' 2' ' ' VAL . . . . . . . . . . . . . 86.7 t -129.51 122.56 55.67 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.995 0 C-N-CA 124.738 1.215 . . . . 0.0 108.419 171.585 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 3' ' ' ASN . . . . . . . . . . . . . 68.8 m-20 -67.88 119.7 12.99 Favored 'General case' 0 CA--C 1.536 0.408 0 C-N-CA 123.444 0.698 . . . . 0.0 109.448 175.97 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 4' ' ' GLN . . . . . . . . . . . . . 12.0 pt20 -158.66 179.23 9.3 Favored 'General case' 0 CA--C 1.534 0.351 0 C-N-CA 123.222 0.609 . . . . 0.0 112.104 -165.09 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 5' ' ' HIS . . . . . . . . . . . . . 68.8 m-70 -81.64 128.82 34.35 Favored 'General case' 0 CA--C 1.546 0.816 0 C-N-CA 124.098 0.959 . . . . 0.0 110.383 167.635 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 92.4 mt -131.58 126.83 35.79 Favored 'General case' 0 N--CA 1.47 0.553 0 C-N-CA 125.235 1.414 . . . . 0.0 110.77 -176.857 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 7' ' ' CYS . . . . . . . . . . . . . 66.6 m -134.97 144.32 47.34 Favored 'General case' 0 N--CA 1.471 0.592 0 C-N-CA 125.242 1.417 . . . . 0.0 110.431 -179.725 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 8' ' ' GLY . . . . . . . . . . . . . . . 54.79 -122.99 27.5 Favored Glycine 0 N--CA 1.474 1.175 0 C-N-CA 124.057 0.837 . . . . 0.0 113.304 170.157 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 9' ' ' SER . . . . . . . . . . . . . 20.3 m -54.35 -39.95 67.6 Favored 'General case' 0 N--CA 1.47 0.537 0 C-N-CA 124.447 1.099 . . . . 0.0 112.802 178.269 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 10' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -63.47 -38.42 91.07 Favored 'General case' 0 CA--C 1.541 0.613 0 O-C-N 121.261 -0.899 . . . . 0.0 112.242 176.676 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 17.4 tp -70.36 -44.68 67.6 Favored 'General case' 0 CA--C 1.536 0.426 0 C-N-CA 124.282 1.033 . . . . 0.0 110.951 177.655 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 75.7 t -59.92 -44.0 93.45 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.968 0 C-N-CA 124.249 1.02 . . . . 0.0 111.289 173.854 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 21.6 mt-10 -58.99 -45.07 91.52 Favored 'General case' 0 N--CA 1.468 0.451 0 C-N-CA 123.999 0.92 . . . . 0.0 112.169 173.918 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -61.64 -49.25 77.31 Favored 'General case' 0 CA--C 1.533 0.319 0 CA-C-N 118.91 0.777 . . . . 0.0 111.563 176.655 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 3.8 mm? -55.35 -38.77 69.22 Favored 'General case' 0 N--CA 1.469 0.521 0 CA-C-N 118.792 0.724 . . . . 0.0 112.06 176.78 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 16' ' ' TYR . . . . . . . . . . . . . 68.6 t80 -60.53 -45.57 93.38 Favored 'General case' 0 CA--C 1.535 0.366 0 CA-C-N 118.995 0.816 . . . . 0.0 112.089 171.896 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 95.9 mt -65.78 -48.52 71.51 Favored 'General case' 0 CA--C 1.537 0.454 0 CA-C-N 118.955 0.798 . . . . 0.0 112.19 179.445 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 18' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -79.02 -32.87 15.56 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.374 0 N-CA-C 113.563 0.949 . . . . 0.0 113.563 -175.265 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 19' ' ' CYS . . . . . . . . . . . . . 15.3 t -116.56 -26.77 6.94 Favored 'General case' 0 CA--C 1.543 0.691 0 N-CA-C 115.342 1.608 . . . . 0.0 115.342 -171.86 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.474 1.169 0 C-N-CA 124.358 0.98 . . . . 0.0 111.212 176.428 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 8.5 tp . . . . . 0 N--CA 1.482 1.13 0 N-CA-C 114.188 1.181 . . . . 0.0 114.188 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 84.8 t -65.48 -46.1 90.88 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.159 0 C-N-CA 123.574 0.75 . . . . 0.0 110.664 -175.725 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 17.7 pt-20 -70.86 7.47 1.15 Allowed 'General case' 0 CA--C 1.545 0.752 0 N-CA-C 113.727 1.01 . . . . 0.0 113.727 176.711 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 23.7 mm-40 -114.83 -65.9 1.14 Allowed 'General case' 0 CA--C 1.538 0.484 0 C-N-CA 124.582 1.153 . . . . 0.0 110.208 166.108 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 63.0 m -71.74 -27.94 63.33 Favored 'General case' 0 N--CA 1.473 0.718 0 N-CA-C 115.236 1.569 . . . . 0.0 115.236 -171.642 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 47.2 t -82.26 -32.32 29.68 Favored 'General case' 0 N--CA 1.476 0.855 0 CA-C-N 119.371 0.987 . . . . 0.0 113.444 178.641 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 12.4 t -86.39 -28.51 23.55 Favored 'General case' 0 N--CA 1.477 0.91 0 C-N-CA 124.179 0.992 . . . . 0.0 112.756 179.475 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 90.4 p -151.43 168.23 25.49 Favored 'General case' 0 N--CA 1.468 0.445 0 C-N-CA 124.177 0.991 . . . . 0.0 112.837 -179.791 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 12.9 mt -75.24 121.4 26.79 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.277 0 O-C-N 121.308 -0.87 . . . . 0.0 111.115 -175.662 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 28.6 p -107.35 152.32 24.31 Favored 'General case' 0 CA--C 1.538 0.51 0 C-N-CA 124.984 1.313 . . . . 0.0 111.586 175.632 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 59.3 m -97.91 152.79 18.86 Favored 'General case' 0 N--CA 1.471 0.58 0 C-N-CA 123.955 0.902 . . . . 0.0 112.233 176.877 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 1.9 pt? -59.25 -39.87 84.19 Favored 'General case' 0 CA--C 1.53 0.191 0 O-C-N 121.457 -0.777 . . . . 0.0 112.373 -174.267 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 22.4 p90 -68.78 -17.43 64.03 Favored 'General case' 0 CA--C 1.535 0.384 0 C-N-CA 124.503 1.121 . . . . 0.0 113.662 -174.596 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 3.8 pt20 -108.44 -24.82 11.26 Favored 'General case' 0 C--O 1.224 -0.288 0 C-N-CA 124.056 0.942 . . . . 0.0 111.135 178.707 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -74.4 -28.73 61.22 Favored 'General case' 0 CA--C 1.549 0.908 0 CA-C-N 119.727 1.149 . . . . 0.0 111.986 175.503 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 29.3 mt-10 -54.04 -34.99 61.48 Favored 'General case' 0 N--CA 1.48 1.056 0 CA-C-N 119.086 0.857 . . . . 0.0 111.848 171.212 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 8.3 m-80 -66.36 -8.46 25.57 Favored 'General case' 0 CA--C 1.549 0.905 0 N-CA-C 113.749 1.018 . . . . 0.0 113.749 -176.267 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 71.5 m-85 -98.41 -8.72 26.38 Favored 'General case' 0 CA--C 1.544 0.735 0 C-N-CA 125.863 1.665 . . . . 0.0 113.642 173.718 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 38.5 t -70.08 -31.73 69.47 Favored 'General case' 0 N--CA 1.473 0.708 0 C-N-CA 123.992 0.917 . . . . 0.0 112.938 -179.287 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--O 1.254 1.304 0 C-N-CA 126.083 1.753 . . . . 0.0 113.321 178.038 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 1' ' ' PHE . . . . . . . . . . . . . 71.3 t80 . . . . . 0 N--CA 1.487 1.38 0 CA-C-O 119.832 -0.128 . . . . 0.0 110.754 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' B' B ' 2' ' ' VAL . . . . . . . . . . . . . 96.1 t -132.08 121.74 47.23 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.955 0 C-N-CA 124.905 1.282 . . . . 0.0 108.256 169.759 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 3' ' ' ASN . . . . . . . . . . . . . 8.4 m120 -65.03 115.62 5.6 Favored 'General case' 0 CA--C 1.541 0.633 0 C-N-CA 123.784 0.834 . . . . 0.0 109.805 172.711 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 4' ' ' GLN . . . . . . . . . . . . . 14.7 pt20 -161.08 -178.14 6.56 Favored 'General case' 0 CA--C 1.537 0.475 0 C-N-CA 125.528 1.531 . . . . 0.0 110.402 -171.601 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 5' ' ' HIS . . . . . . . . . . . . . 78.6 m-70 -86.75 128.17 35.01 Favored 'General case' 0 CA--C 1.542 0.635 0 C-N-CA 123.961 0.904 . . . . 0.0 110.447 171.421 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 96.1 mt -128.39 121.55 29.34 Favored 'General case' 0 N--CA 1.468 0.465 0 C-N-CA 124.868 1.267 . . . . 0.0 110.891 -172.903 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 7' ' ' CYS . . . . . . . . . . . . . 59.0 m -134.25 142.41 47.33 Favored 'General case' 0 N--CA 1.47 0.527 0 C-N-CA 125.198 1.399 . . . . 0.0 110.293 -178.204 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 8' ' ' GLY . . . . . . . . . . . . . . . 55.6 -123.4 30.19 Favored Glycine 0 N--CA 1.473 1.157 0 C-N-CA 123.972 0.796 . . . . 0.0 113.198 171.323 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 9' ' ' SER . . . . . . . . . . . . . 20.4 m -53.95 -40.44 66.81 Favored 'General case' 0 N--CA 1.47 0.554 0 C-N-CA 124.445 1.098 . . . . 0.0 112.772 178.242 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 10' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -63.14 -38.32 90.72 Favored 'General case' 0 CA--C 1.542 0.635 0 O-C-N 121.35 -0.843 . . . . 0.0 112.207 177.506 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 21.1 tp -71.62 -44.69 63.94 Favored 'General case' 0 CA--C 1.537 0.45 0 C-N-CA 124.554 1.142 . . . . 0.0 110.993 178.097 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 73.4 t -59.31 -43.28 89.67 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.074 0 C-N-CA 124.106 0.962 . . . . 0.0 111.195 173.164 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 24.4 mt-10 -58.78 -47.89 83.14 Favored 'General case' 0 CA--C 1.533 0.325 0 C-N-CA 123.856 0.863 . . . . 0.0 111.843 173.184 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -60.99 -47.54 85.96 Favored 'General case' 0 CA--C 1.532 0.264 0 CA-C-N 119.403 1.002 . . . . 0.0 111.846 177.99 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 3.7 mm? -55.38 -38.44 68.87 Favored 'General case' 0 N--CA 1.469 0.496 0 C-N-CA 123.276 0.63 . . . . 0.0 111.899 176.679 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 16' ' ' TYR . . . . . . . . . . . . . 81.7 t80 -62.73 -46.42 88.14 Favored 'General case' 0 CA--C 1.536 0.423 0 CA-C-N 119.0 0.818 . . . . 0.0 112.206 171.369 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 96.1 mt -63.07 -44.93 94.41 Favored 'General case' 0 CA--C 1.536 0.427 0 CA-C-N 118.683 0.674 . . . . 0.0 112.339 -179.612 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 18' ' ' VAL . . . . . . . . . . . . . 0.1 OUTLIER -76.85 -50.34 21.41 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.07 0 CA-C-N 118.738 0.699 . . . . 0.0 111.767 -179.038 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 19' ' ' CYS . . . . . . . . . . . . . 35.7 t -102.26 -35.79 8.73 Favored 'General case' 0 CA--C 1.539 0.549 0 N-CA-C 113.776 1.028 . . . . 0.0 113.776 -166.251 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.471 1.024 0 C-N-CA 124.14 0.876 . . . . 0.0 112.51 -174.782 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 9.3 tp . . . . . 0 N--CA 1.482 1.132 0 N-CA-C 113.249 0.833 . . . . 0.0 113.249 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 84.6 t -64.34 -41.48 92.5 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.915 0 C-N-CA 123.71 0.804 . . . . 0.0 110.408 179.419 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 43.0 mp0 -75.64 -2.55 29.87 Favored 'General case' 0 CA--C 1.544 0.749 0 C-N-CA 123.991 0.916 . . . . 0.0 113.226 178.667 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 30.7 mm100 -95.79 -56.66 2.6 Favored 'General case' 0 CA--C 1.536 0.435 0 CA-C-N 119.07 0.85 . . . . 0.0 110.645 162.258 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 35.9 m -92.21 -28.62 16.91 Favored 'General case' 0 N--CA 1.47 0.56 0 N-CA-C 114.934 1.457 . . . . 0.0 114.934 -162.693 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 11.7 t -74.62 -25.34 59.17 Favored 'General case' 0 N--CA 1.473 0.716 0 O-C-N 121.426 -0.796 . . . . 0.0 112.885 175.16 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 6.7 t -92.82 -32.11 14.76 Favored 'General case' 0 N--CA 1.473 0.705 0 C-N-CA 124.997 1.319 . . . . 0.0 112.966 178.125 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 3.9 t -152.73 -175.21 5.2 Favored 'General case' 0 CA--C 1.543 0.698 0 N-CA-C 114.101 1.149 . . . . 0.0 114.101 -175.082 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 34.4 mm -64.78 128.31 27.16 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.454 0 C-N-CA 125.095 1.358 . . . . 0.0 111.209 178.945 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 10.2 m -112.45 130.19 56.07 Favored 'General case' 0 N--CA 1.467 0.418 0 C-N-CA 124.568 1.147 . . . . 0.0 111.536 165.595 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 48.9 m -89.44 156.33 18.74 Favored 'General case' 0 CA--C 1.537 0.45 0 C-N-CA 124.428 1.091 . . . . 0.0 111.605 165.937 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . 0.415 HD22 ' H ' ' A' ' 13' ' ' LEU . 1.5 pt? -56.72 -43.57 80.73 Favored 'General case' 0 CA--C 1.532 0.278 0 C-N-CA 123.949 0.9 . . . . 0.0 112.029 -176.86 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 26.6 p90 -69.35 -13.56 62.44 Favored 'General case' 0 CA--C 1.535 0.399 0 C-N-CA 124.833 1.253 . . . . 0.0 114.2 -170.695 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 2.2 pt20 -113.14 -26.63 8.35 Favored 'General case' 0 C--O 1.223 -0.309 0 C-N-CA 124.233 1.013 . . . . 0.0 111.05 -178.546 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -78.5 -30.12 47.03 Favored 'General case' 0 CA--C 1.548 0.884 0 C-N-CA 123.899 0.88 . . . . 0.0 111.531 177.636 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 27.7 mt-10 -50.25 -36.45 31.22 Favored 'General case' 0 N--CA 1.483 1.189 0 C-N-CA 125.285 1.434 . . . . 0.0 111.949 170.368 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 4.3 m120 -57.01 -26.28 59.98 Favored 'General case' 0 CA--C 1.541 0.621 0 C-N-CA 125.335 1.454 . . . . 0.0 112.841 -175.114 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 93.6 m-85 -88.61 -6.55 57.45 Favored 'General case' 0 CA--C 1.541 0.629 0 C-N-CA 125.978 1.711 . . . . 0.0 113.741 -177.396 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 11.6 t -75.56 -26.12 57.69 Favored 'General case' 0 CA--C 1.545 0.765 0 C-N-CA 123.492 0.717 . . . . 0.0 112.693 173.741 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 24.2 t-20 . . . . . 0 C--O 1.254 1.297 0 C-N-CA 125.636 1.574 . . . . 0.0 113.063 178.06 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' B' B ' 1' ' ' PHE . . . . . . . . . . . . . 30.0 t80 . . . . . 0 N--CA 1.487 1.383 0 N-CA-C 110.759 -0.089 . . . . 0.0 110.759 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' B' B ' 2' ' ' VAL . . . . . . . . . . . . . 12.4 p -147.21 134.62 14.26 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.863 0 C-N-CA 125.021 1.328 . . . . 0.0 109.169 168.468 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 3' ' ' ASN . . . . . . . . . . . . . 5.8 p30 -64.78 124.9 23.17 Favored 'General case' 0 CA--C 1.534 0.354 0 CA-C-O 120.768 0.318 . . . . 0.0 110.501 172.642 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 4' ' ' GLN . . . . . . . . . . . . . 23.6 pt20 -160.17 172.28 17.71 Favored 'General case' 0 CA--C 1.53 0.187 0 CA-C-O 121.804 0.811 . . . . 0.0 112.052 -165.844 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 5' ' ' HIS . . . . . . . . . . . . . 76.5 m-70 -77.95 132.28 37.8 Favored 'General case' 0 CA--C 1.544 0.729 0 C-N-CA 124.304 1.041 . . . . 0.0 110.277 169.494 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 89.7 mt -140.33 132.32 27.78 Favored 'General case' 0 N--CA 1.47 0.572 0 C-N-CA 124.797 1.239 . . . . 0.0 110.868 -173.954 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 7' ' ' CYS . . . . . . . . . . . . . 3.0 t -155.07 145.92 22.47 Favored 'General case' 0 N--CA 1.468 0.462 0 O-C-N 121.686 -0.634 . . . . 0.0 111.81 178.2 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 8' ' ' GLY . . . . . . . . . . . . . . . 59.82 -126.65 42.41 Favored Glycine 0 CA--C 1.529 0.942 0 C-N-CA 123.866 0.746 . . . . 0.0 112.198 -179.088 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 9' ' ' SER . . . . . . . . . . . . . 20.1 m -53.48 -39.94 64.92 Favored 'General case' 0 N--CA 1.47 0.534 0 C-N-CA 124.609 1.164 . . . . 0.0 112.65 178.197 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 10' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -62.76 -38.06 89.08 Favored 'General case' 0 CA--C 1.541 0.61 0 O-C-N 121.189 -0.944 . . . . 0.0 112.503 177.915 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 15.5 tp -71.37 -44.12 65.59 Favored 'General case' 0 CA--C 1.536 0.411 0 C-N-CA 124.351 1.06 . . . . 0.0 110.776 178.43 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 83.0 t -59.89 -44.03 93.43 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.012 0 C-N-CA 123.914 0.885 . . . . 0.0 111.246 173.3 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 23.9 mt-10 -59.54 -45.71 90.98 Favored 'General case' 0 N--CA 1.466 0.332 0 C-N-CA 124.066 0.946 . . . . 0.0 112.126 173.996 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -61.37 -49.1 78.29 Favored 'General case' 0 CA--C 1.532 0.275 0 CA-C-N 119.057 0.844 . . . . 0.0 111.487 177.792 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 3.9 mm? -54.99 -37.96 67.23 Favored 'General case' 0 N--CA 1.472 0.647 0 CA-C-N 119.048 0.84 . . . . 0.0 112.049 176.856 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 16' ' ' TYR . . . . . . . . . . . . . 54.1 t80 -62.24 -43.52 98.63 Favored 'General case' 0 CA--C 1.539 0.523 0 O-C-N 121.256 -0.903 . . . . 0.0 112.408 172.004 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 95.4 mt -68.92 -46.08 69.18 Favored 'General case' 0 CA--C 1.537 0.474 0 O-C-N 121.534 -0.729 . . . . 0.0 112.556 179.976 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 18' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -78.08 -40.76 26.54 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.28 0 CA-C-N 118.998 0.817 . . . . 0.0 112.515 -178.004 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 19' ' ' CYS . . . . . . . . . . . . . 15.0 t -111.45 -39.65 4.6 Favored 'General case' 0 CA--C 1.538 0.514 0 N-CA-C 113.811 1.041 . . . . 0.0 113.811 -171.35 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.475 1.281 0 O-C-N 121.446 -0.784 . . . . 0.0 113.079 -177.854 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 7.9 tp . . . . . 0 N--CA 1.482 1.174 0 N-CA-C 113.97 1.1 . . . . 0.0 113.97 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 96.5 t -64.7 -43.93 96.57 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.188 0 O-C-N 121.417 -0.802 . . . . 0.0 111.086 -177.087 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 17.3 pt-20 -74.6 0.54 14.63 Favored 'General case' 0 CA--C 1.546 0.806 0 N-CA-C 113.649 0.981 . . . . 0.0 113.649 177.46 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 14.6 tp60 -99.75 -56.78 2.3 Favored 'General case' 0 CA--C 1.537 0.443 0 C-N-CA 123.972 0.909 . . . . 0.0 110.363 164.947 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 55.7 m -87.37 -30.2 20.95 Favored 'General case' 0 N--CA 1.468 0.438 0 N-CA-C 115.483 1.661 . . . . 0.0 115.483 -167.28 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 36.4 t -81.08 -25.31 37.13 Favored 'General case' 0 N--CA 1.476 0.846 0 O-C-N 120.938 -1.101 . . . . 0.0 113.534 -179.223 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 5.7 t -91.77 -19.21 22.83 Favored 'General case' 0 N--CA 1.474 0.73 0 C-N-CA 124.699 1.2 . . . . 0.0 113.852 -179.722 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 87.2 p -158.86 168.75 25.98 Favored 'General case' 0 CA--C 1.54 0.589 0 C-N-CA 124.167 0.987 . . . . 0.0 112.63 -171.426 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 26.8 mm -59.55 125.71 16.07 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.696 0 O-C-N 121.459 -0.776 . . . . 0.0 109.609 171.77 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 14.2 p -122.27 153.4 38.94 Favored 'General case' 0 CA--C 1.535 0.37 0 CA-C-O 121.625 0.726 . . . . 0.0 112.235 168.688 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 37.9 m -115.54 154.82 28.68 Favored 'General case' 0 N--CA 1.469 0.499 0 C-N-CA 124.156 0.983 . . . . 0.0 113.097 -172.15 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 1.6 pt? -57.76 -39.68 77.98 Favored 'General case' 0 N--CA 1.464 0.231 0 C-N-CA 123.747 0.819 . . . . 0.0 112.325 -172.481 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 21.8 p90 -70.21 -12.45 61.61 Favored 'General case' 0 CA--C 1.537 0.475 0 C-N-CA 125.283 1.433 . . . . 0.0 114.136 -174.176 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 3.9 pt20 -118.28 -26.22 6.36 Favored 'General case' 0 CA--C 1.533 0.316 0 C-N-CA 124.237 1.015 . . . . 0.0 111.096 -179.589 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -77.22 -29.85 54.35 Favored 'General case' 0 CA--C 1.547 0.864 0 CA-C-N 119.165 0.893 . . . . 0.0 111.887 178.736 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 19.4 mt-10 -54.91 -32.66 61.34 Favored 'General case' 0 N--CA 1.48 1.026 0 C-N-CA 124.035 0.934 . . . . 0.0 111.774 168.437 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 1.3 t-20 -59.67 -23.06 62.76 Favored 'General case' 0 CA--C 1.54 0.572 0 C-N-CA 124.005 0.922 . . . . 0.0 113.285 -177.318 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 82.1 m-85 -87.75 -16.15 35.03 Favored 'General case' 0 CA--C 1.542 0.645 0 C-N-CA 125.276 1.43 . . . . 0.0 113.291 176.398 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 11.2 t -79.33 -30.23 42.67 Favored 'General case' 0 CA--C 1.541 0.615 0 C-N-CA 124.238 1.015 . . . . 0.0 111.95 170.042 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 11.9 m-80 . . . . . 0 C--O 1.254 1.297 0 C-N-CA 126.006 1.722 . . . . 0.0 112.819 -178.946 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' B' B ' 1' ' ' PHE . . . . . . . . . . . . . 51.4 t80 . . . . . 0 N--CA 1.487 1.415 0 N-CA-C 111.112 0.041 . . . . 0.0 111.112 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' B' B ' 2' ' ' VAL . . . . . . . . . . . . . 10.0 p -146.55 134.64 15.5 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.813 0 C-N-CA 125.47 1.508 . . . . 0.0 108.713 165.698 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 3' ' ' ASN . . . . . . . . . . . . . 69.2 m-20 -63.7 117.34 6.72 Favored 'General case' 0 CA--C 1.538 0.492 0 C-N-CA 123.108 0.563 . . . . 0.0 109.627 178.103 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 4' ' ' GLN . . . . . . . . . . . . . 24.9 pt20 -157.84 178.89 9.74 Favored 'General case' 0 CA--C 1.534 0.333 0 CA-C-O 121.485 0.66 . . . . 0.0 112.646 -165.209 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 5' ' ' HIS . . . . . . . . . . . . . 73.7 m-70 -82.32 132.96 35.22 Favored 'General case' 0 CA--C 1.543 0.68 0 C-N-CA 124.605 1.162 . . . . 0.0 110.71 168.854 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 80.3 mt -140.36 126.36 19.59 Favored 'General case' 0 N--CA 1.469 0.523 0 C-N-CA 124.792 1.237 . . . . 0.0 111.505 -173.772 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 7' ' ' CYS . . . . . . . . . . . . . 61.1 m -135.43 142.62 45.63 Favored 'General case' 0 N--CA 1.471 0.601 0 C-N-CA 124.962 1.305 . . . . 0.0 110.361 178.875 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 8' ' ' GLY . . . . . . . . . . . . . . . 55.47 -121.59 23.29 Favored Glycine 0 N--CA 1.474 1.167 0 C-N-CA 124.049 0.833 . . . . 0.0 113.418 170.482 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 9' ' ' SER . . . . . . . . . . . . . 20.7 m -54.04 -40.55 67.2 Favored 'General case' 0 N--CA 1.47 0.557 0 C-N-CA 124.502 1.121 . . . . 0.0 112.711 177.741 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 10' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -63.39 -37.65 88.09 Favored 'General case' 0 N--CA 1.472 0.627 0 O-C-N 121.219 -0.926 . . . . 0.0 112.102 176.63 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 17.3 tp -70.97 -43.07 68.83 Favored 'General case' 0 CA--C 1.538 0.507 0 C-N-CA 124.383 1.073 . . . . 0.0 111.036 178.508 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 76.6 t -60.47 -43.76 94.9 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.05 0 C-N-CA 123.961 0.904 . . . . 0.0 111.339 171.772 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 23.5 mt-10 -59.3 -43.36 92.61 Favored 'General case' 0 N--CA 1.466 0.36 0 C-N-CA 124.012 0.925 . . . . 0.0 112.18 173.929 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -62.77 -49.85 73.35 Favored 'General case' 0 N--CA 1.453 -0.295 0 O-C-N 121.207 -0.933 . . . . 0.0 111.521 176.209 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 4.0 mm? -55.65 -37.55 68.4 Favored 'General case' 0 N--CA 1.471 0.591 0 CA-C-N 119.232 0.924 . . . . 0.0 112.097 177.8 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 16' ' ' TYR . . . . . . . . . . . . . 83.8 t80 -59.71 -50.41 73.95 Favored 'General case' 0 N--CA 1.468 0.451 0 CA-C-N 119.112 0.869 . . . . 0.0 112.093 169.058 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 97.5 mt -63.0 -42.23 99.79 Favored 'General case' 0 CA--C 1.536 0.417 0 N-CA-C 113.101 0.778 . . . . 0.0 113.101 -178.606 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 18' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -84.61 -36.95 12.17 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.296 0 CA-C-N 119.117 0.871 . . . . 0.0 113.343 -177.026 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 19' ' ' CYS . . . . . . . . . . . . . 13.3 t -113.89 -29.0 7.19 Favored 'General case' 0 CA--C 1.542 0.654 0 N-CA-C 114.783 1.401 . . . . 0.0 114.783 -167.844 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.474 1.184 0 C-N-CA 124.502 1.048 . . . . 0.0 112.207 -179.578 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 6.8 tp . . . . . 0 N--CA 1.48 1.045 0 N-CA-C 114.126 1.158 . . . . 0.0 114.126 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 60.1 t -61.93 -43.19 97.15 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.091 0 O-C-N 121.318 -0.864 . . . . 0.0 109.813 179.41 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 2.4 mp0 -69.39 -6.97 33.43 Favored 'General case' 0 CA--C 1.546 0.799 0 C-N-CA 124.858 1.263 . . . . 0.0 113.491 176.844 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 19.5 tp60 -106.28 -33.36 7.81 Favored 'General case' 0 CA--C 1.539 0.557 0 C-N-CA 124.44 1.096 . . . . 0.0 112.714 176.49 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -117.02 -20.19 9.44 Favored 'General case' 0 N--CA 1.479 0.983 0 N-CA-C 116.481 2.03 . . . . 0.0 116.481 -173.715 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 49.2 t -82.9 -34.86 26.54 Favored 'General case' 0 N--CA 1.478 0.973 0 O-C-N 121.093 -1.004 . . . . 0.0 113.589 175.632 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 6.2 t -78.37 -31.04 48.27 Favored 'General case' 0 N--CA 1.478 0.947 0 C-N-CA 125.045 1.338 . . . . 0.0 112.96 179.765 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 98.9 p -162.69 167.63 22.81 Favored 'General case' 0 CA--C 1.537 0.473 0 C-N-CA 127.158 2.183 . . . . 0.0 109.904 -174.989 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 21.3 mt -72.84 126.05 32.78 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.615 0 O-C-N 121.145 -0.972 . . . . 0.0 111.447 -170.775 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 9.1 p -102.35 142.76 33.04 Favored 'General case' 0 CA--C 1.539 0.523 0 C-N-CA 123.424 0.689 . . . . 0.0 111.276 165.41 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 11.6 p -82.54 160.33 22.62 Favored 'General case' 0 C--O 1.236 0.36 0 CA-C-O 122.131 0.967 . . . . 0.0 111.822 167.177 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 1.8 pt? -54.41 -39.73 67.57 Favored 'General case' 0 CA--C 1.531 0.224 0 C-N-CA 123.164 0.585 . . . . 0.0 111.893 174.649 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 12.4 p90 -72.1 -12.76 61.35 Favored 'General case' 0 C--O 1.233 0.221 0 N-CA-C 114.363 1.246 . . . . 0.0 114.363 -169.233 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 15.8 pt20 -110.09 -25.78 10.03 Favored 'General case' 0 CA--C 1.532 0.277 0 C-N-CA 123.914 0.886 . . . . 0.0 110.855 176.895 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -77.34 -27.42 52.75 Favored 'General case' 0 CA--C 1.546 0.807 0 CA-C-N 118.871 0.759 . . . . 0.0 111.674 176.856 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 29.8 mt-10 -50.99 -32.48 21.3 Favored 'General case' 0 N--CA 1.48 1.07 0 C-N-CA 124.889 1.275 . . . . 0.0 111.795 167.46 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 1.1 t-20 -64.44 -17.87 64.21 Favored 'General case' 0 CA--C 1.542 0.644 0 C-N-CA 124.809 1.243 . . . . 0.0 113.393 -176.675 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 82.3 m-85 -95.43 1.24 54.06 Favored 'General case' 0 CA--C 1.547 0.837 0 C-N-CA 126.485 1.914 . . . . 0.0 113.284 177.718 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 42.6 t -67.26 -33.02 74.45 Favored 'General case' 0 N--CA 1.474 0.726 0 C-N-CA 124.667 1.187 . . . . 0.0 113.288 176.913 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--O 1.252 1.203 0 C-N-CA 125.939 1.695 . . . . 0.0 113.013 177.128 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 1' ' ' PHE . . . . . . . . . . . . . 71.5 t80 . . . . . 0 N--CA 1.487 1.401 0 CA-C-O 119.832 -0.128 . . . . 0.0 110.849 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' B' B ' 2' ' ' VAL . . . . . . . . . . . . . 85.3 t -130.59 124.68 57.49 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.864 0 C-N-CA 125.179 1.392 . . . . 0.0 108.198 170.131 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 3' ' ' ASN . . . . . . . . . . . . . 3.6 m-80 -67.06 111.03 3.64 Favored 'General case' 0 CA--C 1.541 0.627 0 C-N-CA 123.118 0.567 . . . . 0.0 109.77 170.514 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 4' ' ' GLN . . . . . . . . . . . . . 25.5 pt20 -161.2 175.91 11.83 Favored 'General case' 0 CA--C 1.536 0.411 0 C-N-CA 126.385 1.874 . . . . 0.0 109.877 -174.433 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 5' ' ' HIS . . . . . . . . . . . . . 76.7 m-70 -80.53 127.97 33.06 Favored 'General case' 0 CA--C 1.54 0.579 0 C-N-CA 123.356 0.662 . . . . 0.0 110.116 173.006 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 96.5 mt -129.52 132.49 46.88 Favored 'General case' 0 N--CA 1.468 0.451 0 C-N-CA 124.342 1.057 . . . . 0.0 110.84 -174.537 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 7' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -154.41 147.07 24.2 Favored 'General case' 0 N--CA 1.467 0.421 0 C-N-CA 123.831 0.852 . . . . 0.0 110.976 -177.589 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 8' ' ' GLY . . . . . . . . . . . . . . . 57.67 -126.47 42.33 Favored Glycine 0 CA--C 1.53 0.971 0 C-N-CA 123.796 0.712 . . . . 0.0 112.755 179.28 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 9' ' ' SER . . . . . . . . . . . . . 8.1 p -50.42 -42.54 54.01 Favored 'General case' 0 N--CA 1.471 0.597 0 C-N-CA 125.196 1.398 . . . . 0.0 113.262 176.045 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 10' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -64.8 -37.41 87.54 Favored 'General case' 0 CA--C 1.541 0.6 0 O-C-N 121.258 -0.901 . . . . 0.0 112.635 178.999 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 15.4 tp -72.35 -43.37 64.17 Favored 'General case' 0 CA--C 1.536 0.412 0 C-N-CA 124.025 0.93 . . . . 0.0 110.925 176.995 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 79.5 t -59.8 -42.9 90.46 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.959 0 C-N-CA 123.981 0.913 . . . . 0.0 111.168 173.614 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 18.8 mt-10 -60.6 -44.66 96.01 Favored 'General case' 0 N--CA 1.468 0.471 0 C-N-CA 123.927 0.891 . . . . 0.0 112.461 174.054 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -61.86 -48.8 78.91 Favored 'General case' 0 CA--C 1.534 0.342 0 CA-C-N 118.892 0.769 . . . . 0.0 111.669 175.885 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 4.1 mm? -58.0 -37.04 73.53 Favored 'General case' 0 N--CA 1.47 0.543 0 CA-C-N 118.784 0.72 . . . . 0.0 111.753 175.969 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 16' ' ' TYR . . . . . . . . . . . . . 80.4 t80 -58.49 -41.74 85.99 Favored 'General case' 0 CA--C 1.537 0.442 0 CA-C-N 120.479 1.491 . . . . 0.0 112.164 172.325 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 93.4 mt -71.48 -48.1 51.29 Favored 'General case' 0 CA--C 1.542 0.64 0 CA-C-O 118.904 -0.569 . . . . 0.0 112.43 179.875 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 18' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -82.51 -29.52 8.97 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.55 0 N-CA-C 113.722 1.008 . . . . 0.0 113.722 -175.725 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 19' ' ' CYS . . . . . . . . . . . . . 53.6 t -114.74 -44.43 3.06 Favored 'General case' 0 CA--C 1.54 0.59 0 C-N-CA 124.313 1.045 . . . . 0.0 113.308 -173.703 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.476 1.303 0 C-N-CA 123.757 0.694 . . . . 0.0 113.951 -169.684 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 8.0 tp . . . . . 0 N--CA 1.481 1.078 0 N-CA-C 113.733 1.012 . . . . 0.0 113.733 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 84.0 t -63.76 -44.93 98.44 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.04 0 CA-C-N 119.131 0.878 . . . . 0.0 110.027 178.297 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 46.0 mp0 -71.87 -3.52 22.88 Favored 'General case' 0 CA--C 1.545 0.788 0 C-N-CA 124.719 1.208 . . . . 0.0 112.942 176.737 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 9.8 tp-100 -101.18 -55.72 2.48 Favored 'General case' 0 CA--C 1.538 0.482 0 C-N-CA 124.478 1.111 . . . . 0.0 110.921 172.29 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 2.6 t -99.63 -20.1 16.49 Favored 'General case' 0 N--CA 1.473 0.678 0 N-CA-C 115.468 1.655 . . . . 0.0 115.468 -167.932 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 34.2 t -81.11 -26.61 36.04 Favored 'General case' 0 N--CA 1.477 0.877 0 O-C-N 120.752 -1.217 . . . . 0.0 113.228 174.005 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 5.9 t -83.79 -32.97 25.07 Favored 'General case' 0 N--CA 1.475 0.808 0 C-N-CA 124.368 1.067 . . . . 0.0 112.918 178.12 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 94.1 p -154.55 170.95 20.26 Favored 'General case' 0 CA--C 1.545 0.767 0 C-N-CA 124.964 1.306 . . . . 0.0 112.48 -175.482 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 20.2 mm -57.19 133.17 21.81 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.959 0 O-C-N 121.102 -0.999 . . . . 0.0 110.967 179.862 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 2.6 p -126.7 161.75 27.4 Favored 'General case' 0 N--CA 1.472 0.669 0 N-CA-C 113.839 1.052 . . . . 0.0 113.839 165.669 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 51.5 m -117.57 155.28 30.08 Favored 'General case' 0 N--CA 1.47 0.559 0 C-N-CA 125.625 1.57 . . . . 0.0 112.505 -176.668 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . 0.417 ' H ' HD23 ' A' ' 13' ' ' LEU . 1.6 pt? -57.03 -42.68 80.87 Favored 'General case' 0 N--CA 1.463 0.215 0 C-N-CA 124.292 1.037 . . . . 0.0 112.164 -173.611 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 21.6 p90 -67.33 -12.21 59.6 Favored 'General case' 0 CA--C 1.536 0.429 0 C-N-CA 125.198 1.399 . . . . 0.0 114.718 -173.766 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 3.8 pt20 -118.69 -30.5 5.1 Favored 'General case' 0 CA--C 1.533 0.312 0 C-N-CA 124.362 1.065 . . . . 0.0 110.655 -178.335 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -69.46 -33.68 73.26 Favored 'General case' 0 CA--C 1.549 0.93 0 CA-C-N 119.048 0.84 . . . . 0.0 111.184 174.833 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 17.1 mt-10 -46.58 -39.31 10.84 Favored 'General case' 0 N--CA 1.48 1.042 0 C-N-CA 126.131 1.772 . . . . 0.0 112.107 169.202 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 1.3 t-20 -63.26 -18.33 63.44 Favored 'General case' 0 CA--C 1.54 0.58 0 C-N-CA 125.392 1.477 . . . . 0.0 113.955 -173.994 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 85.5 m-85 -91.46 -6.57 52.48 Favored 'General case' 0 CA--C 1.541 0.627 0 C-N-CA 125.772 1.629 . . . . 0.0 113.782 178.661 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 38.8 t -68.57 -32.63 72.68 Favored 'General case' 0 N--CA 1.474 0.767 0 N-CA-C 113.241 0.83 . . . . 0.0 113.241 -178.478 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--O 1.252 1.199 0 C-N-CA 125.644 1.577 . . . . 0.0 113.202 178.672 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 1' ' ' PHE . . . . . . . . . . . . . 53.2 t80 . . . . . 0 N--CA 1.486 1.348 0 CA-C-O 119.658 -0.211 . . . . 0.0 110.714 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' B' B ' 2' ' ' VAL . . . . . . . . . . . . . 92.8 t -131.11 123.66 54.13 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.018 0 C-N-CA 124.916 1.286 . . . . 0.0 108.81 172.148 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 3' ' ' ASN . . . . . . . . . . . . . 5.8 m120 -67.05 111.57 3.93 Favored 'General case' 0 CA--C 1.541 0.628 0 C-N-CA 124.928 1.291 . . . . 0.0 109.402 177.377 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 4' ' ' GLN . . . . . . . . . . . . . 16.2 pt20 -157.17 179.29 9.42 Favored 'General case' 0 CA--C 1.536 0.423 0 O-C-N 121.591 -0.693 . . . . 0.0 112.4 -167.681 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 5' ' ' HIS . . . . . . . . . . . . . 64.6 m-70 -83.87 132.46 34.79 Favored 'General case' 0 CA--C 1.543 0.694 0 C-N-CA 124.585 1.154 . . . . 0.0 110.154 167.742 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 91.8 mt -134.52 129.71 35.53 Favored 'General case' 0 N--CA 1.47 0.535 0 C-N-CA 124.503 1.121 . . . . 0.0 110.876 -176.144 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 7' ' ' CYS . . . . . . . . . . . . . 66.7 m -137.27 143.77 42.37 Favored 'General case' 0 N--CA 1.471 0.595 0 C-N-CA 125.092 1.357 . . . . 0.0 110.408 -178.925 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 8' ' ' GLY . . . . . . . . . . . . . . . 54.74 -122.69 26.17 Favored Glycine 0 N--CA 1.473 1.147 0 C-N-CA 124.148 0.88 . . . . 0.0 113.297 170.439 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 9' ' ' SER . . . . . . . . . . . . . 20.3 m -54.05 -39.71 66.48 Favored 'General case' 0 N--CA 1.469 0.51 0 C-N-CA 124.622 1.169 . . . . 0.0 112.84 178.318 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 10' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -64.69 -36.04 83.0 Favored 'General case' 0 CA--C 1.54 0.591 0 O-C-N 121.278 -0.889 . . . . 0.0 112.292 177.157 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 16.1 tp -74.24 -42.14 60.18 Favored 'General case' 0 CA--C 1.539 0.55 0 C-N-CA 124.664 1.186 . . . . 0.0 111.066 178.332 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 68.9 t -60.59 -43.32 94.38 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.08 0 C-N-CA 124.355 1.062 . . . . 0.0 111.36 171.331 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 20.7 mt-10 -57.65 -48.24 80.03 Favored 'General case' 0 N--CA 1.465 0.305 0 C-N-CA 123.482 0.713 . . . . 0.0 111.568 171.901 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -58.77 -48.22 81.99 Favored 'General case' 0 CA--C 1.534 0.335 0 CA-C-N 119.27 0.941 . . . . 0.0 112.189 177.807 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 3.8 mm? -55.38 -36.83 66.8 Favored 'General case' 0 N--CA 1.471 0.616 0 C-N-CA 123.535 0.734 . . . . 0.0 112.16 176.276 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 16' ' ' TYR . . . . . . . . . . . . . 81.7 t80 -63.27 -44.33 95.42 Favored 'General case' 0 CA--C 1.537 0.452 0 O-C-N 121.446 -0.784 . . . . 0.0 112.182 171.13 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 86.0 mt -65.06 -51.27 62.44 Favored 'General case' 0 N--CA 1.468 0.472 0 CA-C-N 119.203 0.91 . . . . 0.0 111.959 179.375 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 18' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -71.03 -42.15 76.68 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.019 0 N-CA-C 112.853 0.686 . . . . 0.0 112.853 -176.939 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 19' ' ' CYS . . . . . . . . . . . . . 13.9 t -116.98 -33.35 4.76 Favored 'General case' 0 N--CA 1.473 0.693 0 N-CA-C 114.43 1.27 . . . . 0.0 114.43 -167.915 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.472 1.094 0 C-N-CA 123.848 0.737 . . . . 0.0 112.172 -176.482 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 6.4 tp . . . . . 0 N--CA 1.484 1.235 0 N-CA-C 113.663 0.986 . . . . 0.0 113.663 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 87.3 t -63.14 -43.3 98.81 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.06 0 O-C-N 121.483 -0.76 . . . . 0.0 110.422 174.808 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 36.2 tt0 -73.58 -7.9 53.79 Favored 'General case' 0 CA--C 1.548 0.887 0 C-N-CA 124.015 0.926 . . . . 0.0 112.608 175.583 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 46.4 tp60 -93.9 -40.36 10.19 Favored 'General case' 0 CA--C 1.538 0.499 0 O-C-N 121.058 -1.027 . . . . 0.0 112.278 172.662 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -120.84 -17.68 7.84 Favored 'General case' 0 N--CA 1.479 1.012 0 N-CA-C 117.263 2.32 . . . . 0.0 117.263 -171.231 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 43.1 t -84.96 -38.02 19.8 Favored 'General case' 0 N--CA 1.481 1.083 0 O-C-N 120.789 -1.194 . . . . 0.0 113.48 176.284 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 6.1 t -74.12 -30.63 62.41 Favored 'General case' 0 N--CA 1.478 0.963 0 C-N-CA 124.751 1.221 . . . . 0.0 112.741 179.624 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 89.3 p -165.45 168.43 16.64 Favored 'General case' 0 CA--C 1.538 0.487 0 C-N-CA 127.393 2.277 . . . . 0.0 110.003 -175.119 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 17.2 mt -73.38 128.19 35.82 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.669 0 O-C-N 121.111 -0.993 . . . . 0.0 112.075 -170.303 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 14.6 p -99.47 170.17 8.8 Favored 'General case' 0 CA--C 1.54 0.579 0 C-N-CA 124.14 0.976 . . . . 0.0 112.935 170.07 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 66.6 m -116.12 153.82 31.08 Favored 'General case' 0 N--CA 1.468 0.443 0 C-N-CA 124.819 1.248 . . . . 0.0 111.746 171.555 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 1.6 pt? -54.66 -42.93 71.9 Favored 'General case' 0 N--CA 1.464 0.253 0 C-N-CA 124.141 0.977 . . . . 0.0 112.272 -175.722 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 29.8 p90 -67.34 -20.07 65.53 Favored 'General case' 0 CA--C 1.534 0.359 0 N-CA-C 113.582 0.956 . . . . 0.0 113.582 -173.261 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 3.4 pt20 -107.29 -23.89 12.08 Favored 'General case' 0 CA--C 1.532 0.271 0 C-N-CA 123.948 0.899 . . . . 0.0 111.065 179.815 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -75.95 -32.54 59.59 Favored 'General case' 0 CA--C 1.548 0.875 0 CA-C-N 119.308 0.958 . . . . 0.0 111.512 173.639 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 33.2 mt-10 -53.49 -36.34 61.58 Favored 'General case' 0 N--CA 1.481 1.087 0 C-N-CA 125.196 1.398 . . . . 0.0 111.628 171.18 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 7.6 m-80 -64.74 -11.9 41.32 Favored 'General case' 0 CA--C 1.547 0.842 0 C-N-CA 124.165 0.986 . . . . 0.0 113.58 -178.299 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 89.3 m-85 -92.5 -17.29 24.69 Favored 'General case' 0 CA--C 1.542 0.639 0 C-N-CA 124.936 1.294 . . . . 0.0 113.397 171.63 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 13.5 t -77.81 -31.63 51.83 Favored 'General case' 0 CA--C 1.542 0.653 0 C-N-CA 123.761 0.825 . . . . 0.0 111.842 167.81 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 11.6 m-80 . . . . . 0 C--O 1.253 1.257 0 C-N-CA 125.801 1.64 . . . . 0.0 112.722 179.416 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' B' B ' 1' ' ' PHE . . . . . . . . . . . . . 80.4 t80 . . . . . 0 N--CA 1.487 1.382 0 CA-C-O 119.6 -0.238 . . . . 0.0 110.599 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' B' B ' 2' ' ' VAL . . . . . . . . . . . . . 97.7 t -126.95 116.41 44.59 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.958 0 C-N-CA 124.748 1.219 . . . . 0.0 108.199 169.635 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 3' ' ' ASN . . . . . . . . . . . . . 9.1 m120 -66.25 114.24 5.19 Favored 'General case' 0 CA--C 1.539 0.556 0 C-N-CA 123.694 0.798 . . . . 0.0 109.908 173.328 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 4' ' ' GLN . . . . . . . . . . . . . 19.3 pt20 -160.9 -178.11 6.59 Favored 'General case' 0 CA--C 1.536 0.414 0 C-N-CA 125.82 1.648 . . . . 0.0 109.979 -173.277 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 5' ' ' HIS . . . . . . . . . . . . . 80.0 m-70 -85.89 125.09 33.07 Favored 'General case' 0 CA--C 1.541 0.602 0 C-N-CA 123.468 0.707 . . . . 0.0 110.06 172.235 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 95.7 mt -127.95 130.36 48.31 Favored 'General case' 0 N--CA 1.467 0.384 0 C-N-CA 124.795 1.238 . . . . 0.0 110.486 -175.05 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 7' ' ' CYS . . . . . . . . . . . . . 0.6 OUTLIER -149.94 147.39 27.83 Favored 'General case' 0 N--CA 1.468 0.475 0 C-N-CA 123.685 0.794 . . . . 0.0 111.453 -178.416 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 8' ' ' GLY . . . . . . . . . . . . . . . 55.55 -125.22 35.93 Favored Glycine 0 CA--C 1.53 0.983 0 C-N-CA 124.036 0.827 . . . . 0.0 112.519 178.287 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 9' ' ' SER . . . . . . . . . . . . . 20.2 m -53.5 -40.35 65.31 Favored 'General case' 0 N--CA 1.469 0.515 0 C-N-CA 124.498 1.119 . . . . 0.0 112.777 177.784 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 10' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -63.94 -36.93 85.57 Favored 'General case' 0 CA--C 1.543 0.684 0 O-C-N 121.23 -0.918 . . . . 0.0 112.462 178.5 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 17.5 tp -72.16 -44.85 62.43 Favored 'General case' 0 CA--C 1.536 0.421 0 C-N-CA 124.697 1.199 . . . . 0.0 110.652 177.812 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 72.4 t -59.6 -43.6 91.43 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.05 0 C-N-CA 124.003 0.921 . . . . 0.0 111.294 173.183 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 23.3 mt-10 -59.2 -44.93 92.23 Favored 'General case' 0 N--CA 1.467 0.382 0 C-N-CA 124.142 0.977 . . . . 0.0 112.242 174.071 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -61.8 -49.79 74.92 Favored 'General case' 0 N--CA 1.454 -0.267 0 CA-C-N 119.15 0.886 . . . . 0.0 111.15 176.975 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 3.8 mm? -52.67 -41.08 63.51 Favored 'General case' 0 N--CA 1.472 0.627 0 C-N-CA 123.681 0.793 . . . . 0.0 112.156 177.358 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 16' ' ' TYR . . . . . . . . . . . . . 81.8 t80 -60.47 -46.37 90.35 Favored 'General case' 0 CA--C 1.536 0.415 0 O-C-N 121.853 -0.529 . . . . 0.0 112.146 172.732 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 96.0 mt -66.41 -45.49 79.76 Favored 'General case' 0 CA--C 1.537 0.45 0 CA-C-N 118.829 0.74 . . . . 0.0 112.626 179.554 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 18' ' ' VAL . . . . . . . . . . . . . 0.1 OUTLIER -74.37 -42.23 50.11 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.236 0 CA-C-N 118.882 0.764 . . . . 0.0 111.183 -176.229 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 19' ' ' CYS . . . . . . . . . . . . . 21.2 t -110.23 -41.91 4.29 Favored 'General case' 0 CA--C 1.537 0.455 0 N-CA-C 114.279 1.214 . . . . 0.0 114.279 -167.268 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.474 1.175 0 C-N-CA 123.997 0.808 . . . . 0.0 112.284 -170.957 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 9.9 tp . . . . . 0 N--CA 1.484 1.237 0 N-CA-C 113.589 0.959 . . . . 0.0 113.589 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 77.4 t -63.55 -44.12 98.55 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.265 0 C-N-CA 124.196 0.998 . . . . 0.0 111.086 -176.281 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 17.3 pt-20 -74.45 5.08 5.02 Favored 'General case' 0 CA--C 1.545 0.784 0 N-CA-C 113.574 0.953 . . . . 0.0 113.574 176.843 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -101.48 -62.85 1.2 Allowed 'General case' 0 CA--C 1.54 0.582 0 CA-C-N 118.816 0.734 . . . . 0.0 109.355 157.704 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 38.5 m -79.32 -32.06 43.29 Favored 'General case' 0 N--CA 1.472 0.628 0 N-CA-C 115.235 1.568 . . . . 0.0 115.235 -163.581 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 12.2 t -73.63 -20.68 60.52 Favored 'General case' 0 N--CA 1.472 0.66 0 O-C-N 121.472 -0.767 . . . . 0.0 112.908 177.803 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 9.7 t -105.63 -31.23 9.02 Favored 'General case' 0 N--CA 1.473 0.686 0 C-N-CA 125.288 1.435 . . . . 0.0 113.121 -178.32 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 22.8 m -144.31 172.49 12.85 Favored 'General case' 0 CA--C 1.548 0.895 0 C-N-CA 125.544 1.538 . . . . 0.0 112.984 -175.835 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 21.3 mm -60.31 131.99 25.38 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.964 0 O-C-N 120.673 -1.267 . . . . 0.0 111.021 178.309 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 2.9 m -112.97 155.02 25.5 Favored 'General case' 0 N--CA 1.468 0.432 0 C-N-CA 125.438 1.495 . . . . 0.0 112.346 166.123 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 47.2 m -137.42 151.31 48.39 Favored 'General case' 0 C--O 1.236 0.343 0 C-N-CA 125.91 1.684 . . . . 0.0 110.277 -177.585 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 1.7 pt? -56.67 -38.71 72.6 Favored 'General case' 0 N--CA 1.464 0.23 0 C-N-CA 123.83 0.852 . . . . 0.0 112.339 -170.803 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 24.1 p90 -68.67 -12.6 61.59 Favored 'General case' 0 CA--C 1.534 0.364 0 C-N-CA 125.242 1.417 . . . . 0.0 114.389 -175.53 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 3.8 pt20 -119.08 -30.03 5.09 Favored 'General case' 0 C--O 1.222 -0.344 0 C-N-CA 123.37 0.668 . . . . 0.0 111.256 178.541 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -74.04 -30.65 62.52 Favored 'General case' 0 CA--C 1.548 0.868 0 CA-C-N 119.542 1.064 . . . . 0.0 111.4 -177.827 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 23.8 mt-10 -53.16 -29.77 33.4 Favored 'General case' 0 N--CA 1.479 0.982 0 C-N-CA 124.715 1.206 . . . . 0.0 112.796 169.895 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 78.6 m-20 -62.95 -22.21 66.63 Favored 'General case' 0 CA--C 1.539 0.532 0 C-N-CA 123.791 0.836 . . . . 0.0 112.616 -177.799 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 63.5 m-85 -92.08 -11.51 35.58 Favored 'General case' 0 CA--C 1.543 0.709 0 C-N-CA 125.886 1.674 . . . . 0.0 112.8 178.622 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 12.3 t -81.18 -29.11 34.7 Favored 'General case' 0 N--CA 1.473 0.702 0 C-N-CA 123.579 0.752 . . . . 0.0 111.828 165.915 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 12.6 m-80 . . . . . 0 C--O 1.254 1.336 0 C-N-CA 125.683 1.593 . . . . 0.0 112.844 179.453 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' B' B ' 1' ' ' PHE . . . . . . . . . . . . . 38.7 t80 . . . . . 0 N--CA 1.487 1.417 0 CA-C-O 119.887 -0.101 . . . . 0.0 110.738 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' B' B ' 2' ' ' VAL . . . . . . . . . . . . . 3.3 p -138.77 123.41 21.4 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.945 0 C-N-CA 125.183 1.393 . . . . 0.0 110.191 173.773 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 3' ' ' ASN . . . . . . . . . . . . . 72.9 m-20 -78.8 118.03 20.47 Favored 'General case' 0 CA--C 1.537 0.443 0 N-CA-C 109.164 -0.68 . . . . 0.0 109.164 173.88 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 4' ' ' GLN . . . . . . . . . . . . . 13.2 pt20 -165.93 -178.13 4.58 Favored 'General case' 0 CA--C 1.537 0.453 0 C-N-CA 124.202 1.001 . . . . 0.0 111.818 -171.609 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 5' ' ' HIS . . . . . . . . . . . . . 70.7 m-70 -77.66 137.98 38.83 Favored 'General case' 0 CA--C 1.544 0.728 0 C-N-CA 124.366 1.067 . . . . 0.0 109.882 167.484 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 80.1 mt -143.76 133.32 23.56 Favored 'General case' 0 N--CA 1.472 0.627 0 C-N-CA 124.716 1.206 . . . . 0.0 110.631 -172.916 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 7' ' ' CYS . . . . . . . . . . . . . 2.6 t -155.42 147.71 23.78 Favored 'General case' 0 N--CA 1.47 0.527 0 C-N-CA 123.56 0.744 . . . . 0.0 111.458 179.233 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 8' ' ' GLY . . . . . . . . . . . . . . . 59.99 -129.04 47.5 Favored Glycine 0 CA--C 1.53 1.03 0 C-N-CA 123.808 0.718 . . . . 0.0 112.26 -179.201 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 9' ' ' SER . . . . . . . . . . . . . 20.3 m -54.8 -36.55 65.06 Favored 'General case' 0 N--CA 1.47 0.539 0 C-N-CA 124.566 1.146 . . . . 0.0 112.998 179.131 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 10' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -64.27 -37.85 88.95 Favored 'General case' 0 N--CA 1.472 0.662 0 O-C-N 121.289 -0.882 . . . . 0.0 112.322 176.337 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 15.8 tp -73.68 -43.28 59.77 Favored 'General case' 0 CA--C 1.535 0.381 0 C-N-CA 124.387 1.075 . . . . 0.0 111.212 178.085 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 74.5 t -59.23 -42.74 87.93 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.022 0 C-N-CA 123.988 0.915 . . . . 0.0 110.983 173.04 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 17.7 mm-40 -60.8 -50.5 73.21 Favored 'General case' 0 N--CA 1.464 0.266 0 CA-C-O 118.273 -0.87 . . . . 0.0 111.57 171.569 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -54.7 -48.97 71.81 Favored 'General case' 0 CA--C 1.534 0.35 0 CA-C-N 120.317 1.417 . . . . 0.0 111.917 179.778 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 4.2 mm? -56.25 -37.24 69.49 Favored 'General case' 0 N--CA 1.471 0.609 0 C-N-CA 123.647 0.779 . . . . 0.0 112.175 174.898 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 16' ' ' TYR . . . . . . . . . . . . . 84.7 t80 -63.12 -45.25 92.86 Favored 'General case' 0 CA--C 1.539 0.543 0 CA-C-N 119.109 0.868 . . . . 0.0 112.413 169.886 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 91.1 mt -66.95 -45.71 76.95 Favored 'General case' 0 CA--C 1.535 0.402 0 O-C-N 121.55 -0.719 . . . . 0.0 112.853 -176.632 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 18' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -70.28 -48.46 60.82 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.073 0 C-N-CA 122.939 0.496 . . . . 0.0 111.847 176.018 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 19' ' ' CYS . . . . . . . . . . . . . 7.9 t -120.83 -39.92 2.68 Favored 'General case' 0 N--CA 1.469 0.512 0 N-CA-C 114.26 1.207 . . . . 0.0 114.26 -163.41 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.475 1.257 0 O-C-N 121.17 -0.956 . . . . 0.0 113.753 -168.343 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 9.0 tp . . . . . 0 N--CA 1.481 1.081 0 N-CA-C 114.45 1.278 . . . . 0.0 114.45 . . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 74.8 t -68.09 -47.71 77.43 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.089 0 CA-C-N 118.916 0.78 . . . . 0.0 110.501 -173.779 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 12.6 pm0 -70.25 9.13 0.63 Allowed 'General case' 0 CA--C 1.547 0.838 0 C-N-CA 124.638 1.175 . . . . 0.0 113.648 175.942 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 23.9 mm-40 -114.1 -64.98 1.23 Allowed 'General case' 0 CA--C 1.537 0.48 0 C-N-CA 124.805 1.242 . . . . 0.0 110.078 164.787 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 68.7 m -71.0 -32.84 69.76 Favored 'General case' 0 N--CA 1.474 0.751 0 N-CA-C 115.117 1.525 . . . . 0.0 115.117 -173.201 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 26.6 t -74.89 -28.46 60.65 Favored 'General case' 0 N--CA 1.477 0.886 0 O-C-N 121.127 -0.983 . . . . 0.0 113.344 179.637 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 6.9 t -99.5 -21.52 15.9 Favored 'General case' 0 N--CA 1.476 0.841 0 C-N-CA 125.088 1.355 . . . . 0.0 113.357 -177.738 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 94.5 p -156.02 169.43 24.48 Favored 'General case' 0 N--CA 1.468 0.468 0 C-N-CA 124.609 1.164 . . . . 0.0 112.605 -177.34 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 11.6 mt -76.02 122.59 30.4 Favored 'Isoleucine or valine' 0 C--O 1.234 0.258 0 O-C-N 121.388 -0.82 . . . . 0.0 111.254 -177.481 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 29.9 p -109.96 144.07 39.01 Favored 'General case' 0 CA--C 1.537 0.471 0 C-N-CA 125.219 1.408 . . . . 0.0 110.987 175.309 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 42.4 m -93.87 151.47 19.56 Favored 'General case' 0 N--CA 1.471 0.59 0 C-N-CA 123.597 0.759 . . . . 0.0 111.951 179.845 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 1.8 pt? -58.79 -39.58 81.51 Favored 'General case' 0 CA--C 1.531 0.231 0 O-C-N 121.305 -0.872 . . . . 0.0 111.967 -174.318 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 19.1 p90 -69.08 -12.56 61.8 Favored 'General case' 0 CA--C 1.536 0.416 0 C-N-CA 125.043 1.337 . . . . 0.0 114.264 -175.313 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 3.9 pt20 -114.84 -27.6 7.36 Favored 'General case' 0 CA--C 1.532 0.266 0 C-N-CA 124.064 0.946 . . . . 0.0 110.899 178.833 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -71.54 -29.59 64.93 Favored 'General case' 0 CA--C 1.547 0.848 0 CA-C-N 119.385 0.993 . . . . 0.0 111.795 176.917 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 33.7 mt-10 -49.7 -38.72 34.16 Favored 'General case' 0 N--CA 1.481 1.089 0 C-N-CA 124.607 1.163 . . . . 0.0 111.646 168.842 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 1.3 t-20 -62.65 -19.22 63.59 Favored 'General case' 0 CA--C 1.541 0.606 0 C-N-CA 125.155 1.382 . . . . 0.0 113.994 -172.927 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 73.0 m-85 -90.03 -9.2 49.45 Favored 'General case' 0 CA--C 1.543 0.708 0 C-N-CA 125.594 1.558 . . . . 0.0 113.577 177.948 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 36.3 t -69.2 -31.73 70.53 Favored 'General case' 0 N--CA 1.473 0.696 0 N-CA-C 113.368 0.877 . . . . 0.0 113.368 -176.2 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--O 1.252 1.21 0 C-N-CA 125.873 1.669 . . . . 0.0 113.135 178.736 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 1' ' ' PHE . . . . . . . . . . . . . 49.8 t80 . . . . . 0 N--CA 1.487 1.405 0 N-CA-C 110.657 -0.127 . . . . 0.0 110.657 . . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' B' B ' 2' ' ' VAL . . . . . . . . . . . . . 11.1 p -144.45 134.56 19.95 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.837 0 C-N-CA 124.88 1.272 . . . . 0.0 108.914 164.764 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 3' ' ' ASN . . . . . . . . . . . . . 9.5 m120 -63.32 111.71 2.39 Favored 'General case' 0 CA--C 1.54 0.576 0 C-N-CA 123.414 0.686 . . . . 0.0 109.554 175.548 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 4' ' ' GLN . . . . . . . . . . . . . 25.1 pt20 -155.4 179.98 8.65 Favored 'General case' 0 CA--C 1.535 0.381 0 C-N-CA 124.952 1.301 . . . . 0.0 110.961 -170.98 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 5' ' ' HIS . . . . . . . . . . . . . 76.7 m-70 -85.79 132.94 34.02 Favored 'General case' 0 CA--C 1.542 0.661 0 C-N-CA 124.119 0.968 . . . . 0.0 110.29 171.632 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 96.0 mt -133.03 129.57 38.27 Favored 'General case' 0 N--CA 1.469 0.496 0 C-N-CA 124.519 1.128 . . . . 0.0 110.635 -174.649 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 7' ' ' CYS . . . . . . . . . . . . . 2.8 t -154.32 146.22 23.5 Favored 'General case' 0 N--CA 1.468 0.442 0 C-N-CA 123.408 0.683 . . . . 0.0 111.606 -179.297 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 8' ' ' GLY . . . . . . . . . . . . . . . 58.62 -126.79 43.55 Favored Glycine 0 CA--C 1.529 0.966 0 C-N-CA 123.913 0.768 . . . . 0.0 112.159 -179.388 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 9' ' ' SER . . . . . . . . . . . . . 20.2 m -53.54 -40.04 65.17 Favored 'General case' 0 N--CA 1.469 0.507 0 C-N-CA 124.538 1.135 . . . . 0.0 112.675 178.005 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 10' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -62.79 -38.0 88.92 Favored 'General case' 0 N--CA 1.472 0.643 0 O-C-N 121.157 -0.964 . . . . 0.0 112.499 177.829 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 16.4 tp -71.93 -44.18 64.06 Favored 'General case' 0 CA--C 1.535 0.384 0 C-N-CA 124.282 1.033 . . . . 0.0 110.883 177.99 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 74.8 t -59.6 -43.68 91.6 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.028 0 C-N-CA 123.973 0.909 . . . . 0.0 111.148 173.567 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 24.5 mt-10 -59.58 -46.57 88.54 Favored 'General case' 0 N--CA 1.465 0.313 0 C-N-CA 124.151 0.981 . . . . 0.0 112.029 173.817 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -61.38 -48.75 79.85 Favored 'General case' 0 CA--C 1.531 0.249 0 CA-C-N 119.298 0.954 . . . . 0.0 111.684 177.47 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 3.8 mm? -55.77 -38.26 69.63 Favored 'General case' 0 N--CA 1.469 0.506 0 CA-C-N 118.906 0.775 . . . . 0.0 111.963 176.509 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 16' ' ' TYR . . . . . . . . . . . . . 88.1 t80 -61.18 -43.51 98.76 Favored 'General case' 0 CA--C 1.537 0.472 0 CA-C-N 119.486 1.039 . . . . 0.0 112.439 171.561 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 95.8 mt -69.42 -47.72 63.22 Favored 'General case' 0 CA--C 1.536 0.409 0 O-C-N 121.63 -0.669 . . . . 0.0 112.685 -178.739 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 18' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -78.79 -35.41 18.18 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.28 0 CA-C-N 118.722 0.692 . . . . 0.0 112.754 -177.279 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 19' ' ' CYS . . . . . . . . . . . . . 22.1 t -115.42 -45.58 2.91 Favored 'General case' 0 CA--C 1.538 0.506 0 N-CA-C 113.326 0.862 . . . . 0.0 113.326 -172.909 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.474 1.175 0 O-C-N 121.412 -0.805 . . . . 0.0 113.649 -170.951 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 8.2 tp . . . . . 0 N--CA 1.482 1.137 0 N-CA-C 114.039 1.126 . . . . 0.0 114.039 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 90.2 t -62.16 -45.75 98.03 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.194 0 O-C-N 121.371 -0.83 . . . . 0.0 110.696 -175.064 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 15.9 pt-20 -71.69 3.5 4.0 Favored 'General case' 0 CA--C 1.545 0.787 0 N-CA-C 113.886 1.069 . . . . 0.0 113.886 177.725 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 22.2 mm-40 -120.01 -25.15 5.86 Favored 'General case' 0 CA--C 1.541 0.614 0 C-N-CA 124.263 1.025 . . . . 0.0 113.531 174.914 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 53.1 m -107.26 -29.38 9.35 Favored 'General case' 0 N--CA 1.478 0.973 0 N-CA-C 115.49 1.663 . . . . 0.0 115.49 176.387 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 48.8 t -81.67 -37.81 26.87 Favored 'General case' 0 N--CA 1.479 0.983 0 N-CA-C 113.928 1.084 . . . . 0.0 113.928 -177.865 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 9.6 t -80.09 -29.35 39.06 Favored 'General case' 0 N--CA 1.48 1.031 0 C-N-CA 124.897 1.279 . . . . 0.0 113.071 -178.348 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 94.0 p -160.35 167.43 27.42 Favored 'General case' 0 CA--C 1.536 0.436 0 C-N-CA 126.171 1.788 . . . . 0.0 110.752 -175.652 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 14.0 mt -72.81 129.14 36.02 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.515 0 O-C-N 121.568 -0.707 . . . . 0.0 111.952 -170.666 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 30.8 p -108.86 168.31 9.45 Favored 'General case' 0 CA--C 1.54 0.588 0 C-N-CA 125.302 1.441 . . . . 0.0 112.115 173.246 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 59.0 m -122.4 149.06 44.33 Favored 'General case' 0 N--CA 1.467 0.406 0 C-N-CA 124.189 0.995 . . . . 0.0 111.581 -177.25 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 2.0 pt? -55.88 -41.32 74.25 Favored 'General case' 0 N--CA 1.464 0.23 0 C-N-CA 124.067 0.947 . . . . 0.0 111.833 -173.14 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 14.9 p90 -67.12 -13.14 61.66 Favored 'General case' 0 CA--C 1.535 0.393 0 C-N-CA 125.139 1.376 . . . . 0.0 114.399 -175.075 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 14.6 pt20 -117.59 -28.59 6.0 Favored 'General case' 0 CA--C 1.532 0.276 0 C-N-CA 123.72 0.808 . . . . 0.0 111.181 178.778 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -70.61 -30.78 67.54 Favored 'General case' 0 CA--C 1.548 0.881 0 CA-C-N 119.302 0.955 . . . . 0.0 111.779 176.478 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 26.2 mt-10 -48.51 -39.52 23.53 Favored 'General case' 0 N--CA 1.481 1.095 0 C-N-CA 124.785 1.234 . . . . 0.0 111.649 169.924 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 1.7 t-20 -59.31 -28.32 66.68 Favored 'General case' 0 CA--C 1.542 0.644 0 C-N-CA 124.741 1.216 . . . . 0.0 113.441 -172.68 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 76.0 m-85 -80.16 -9.58 59.72 Favored 'General case' 0 CA--C 1.543 0.683 0 C-N-CA 125.495 1.518 . . . . 0.0 113.352 -179.15 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 12.6 t -71.47 -25.59 62.35 Favored 'General case' 0 CA--C 1.542 0.662 0 C-N-CA 123.76 0.824 . . . . 0.0 113.18 176.043 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 C--O 1.254 1.3 0 C-N-CA 125.801 1.64 . . . . 0.0 111.914 178.678 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 1' ' ' PHE . . . . . . . . . . . . . 68.9 t80 . . . . . 0 N--CA 1.487 1.39 0 CA-C-O 119.807 -0.14 . . . . 0.0 110.723 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' B' B ' 2' ' ' VAL . . . . . . . . . . . . . 90.9 t -132.12 122.44 48.68 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.93 0 C-N-CA 124.976 1.31 . . . . 0.0 108.348 170.192 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 3' ' ' ASN . . . . . . . . . . . . . 10.3 m120 -64.62 115.83 5.6 Favored 'General case' 0 CA--C 1.539 0.534 0 C-N-CA 123.665 0.786 . . . . 0.0 109.983 172.206 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 4' ' ' GLN . . . . . . . . . . . . . 13.4 pt20 -160.06 -179.97 8.23 Favored 'General case' 0 CA--C 1.536 0.429 0 C-N-CA 125.277 1.431 . . . . 0.0 110.439 -171.119 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 5' ' ' HIS . . . . . . . . . . . . . 75.6 m-70 -84.29 124.97 31.81 Favored 'General case' 0 CA--C 1.542 0.641 0 C-N-CA 123.696 0.798 . . . . 0.0 109.944 171.256 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 96.5 mt -126.22 129.56 49.2 Favored 'General case' 0 N--CA 1.468 0.464 0 C-N-CA 124.606 1.162 . . . . 0.0 110.538 -175.217 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 7' ' ' CYS . . . . . . . . . . . . . 1.3 t -152.75 146.25 24.95 Favored 'General case' 0 N--CA 1.468 0.428 0 C-N-CA 123.595 0.758 . . . . 0.0 111.324 -177.576 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 8' ' ' GLY . . . . . . . . . . . . . . . 57.01 -125.94 40.48 Favored Glycine 0 CA--C 1.529 0.944 0 C-N-CA 123.944 0.783 . . . . 0.0 112.705 179.143 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 9' ' ' SER . . . . . . . . . . . . . 8.7 t -55.4 -39.3 70.02 Favored 'General case' 0 N--CA 1.472 0.659 0 C-N-CA 123.88 0.872 . . . . 0.0 112.53 178.761 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 10' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -62.52 -37.26 85.37 Favored 'General case' 0 N--CA 1.474 0.768 0 O-C-N 120.758 -1.214 . . . . 0.0 112.503 177.096 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 17.7 tp -72.44 -43.43 63.8 Favored 'General case' 0 CA--C 1.535 0.399 0 C-N-CA 124.341 1.056 . . . . 0.0 110.96 177.837 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 76.4 t -59.65 -43.25 90.82 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.979 0 C-N-CA 123.931 0.892 . . . . 0.0 111.18 172.947 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 24.0 mt-10 -58.99 -46.77 87.34 Favored 'General case' 0 N--CA 1.466 0.347 0 C-N-CA 123.827 0.851 . . . . 0.0 112.085 173.373 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -60.62 -49.44 77.53 Favored 'General case' 0 CA--C 1.532 0.255 0 CA-C-N 119.327 0.967 . . . . 0.0 111.635 177.349 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 3.9 mm? -54.33 -38.97 66.61 Favored 'General case' 0 N--CA 1.471 0.602 0 CA-C-N 118.764 0.711 . . . . 0.0 111.857 176.553 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 16' ' ' TYR . . . . . . . . . . . . . 74.8 t80 -61.88 -43.33 99.06 Favored 'General case' 0 CA--C 1.538 0.487 0 CA-C-N 119.101 0.864 . . . . 0.0 112.548 172.175 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 95.3 mt -69.81 -45.65 67.44 Favored 'General case' 0 CA--C 1.536 0.411 0 O-C-N 121.238 -0.914 . . . . 0.0 112.944 -178.896 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 18' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -78.62 -35.98 19.28 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.333 0 CA-C-N 118.717 0.69 . . . . 0.0 112.463 -178.023 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 19' ' ' CYS . . . . . . . . . . . . . 31.4 t -114.45 -49.9 2.81 Favored 'General case' 0 CA--C 1.536 0.412 0 N-CA-C 113.801 1.037 . . . . 0.0 113.801 -175.038 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.476 1.339 0 N-CA-C 115.11 0.804 . . . . 0.0 115.11 -163.442 . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 7.4 tp . . . . . 0 N--CA 1.483 1.187 0 N-CA-C 114.305 1.224 . . . . 0.0 114.305 . . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 92.2 t -66.73 -44.2 89.58 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.14 0 O-C-N 120.986 -1.071 . . . . 0.0 110.725 -179.67 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 17.6 pt-20 -74.23 -4.55 36.68 Favored 'General case' 0 CA--C 1.547 0.856 0 N-CA-C 113.508 0.929 . . . . 0.0 113.508 174.102 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 11.2 tp60 -92.24 -44.04 8.97 Favored 'General case' 0 CA--C 1.54 0.577 0 C-N-CA 124.15 0.98 . . . . 0.0 111.581 170.467 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 98.4 m -114.37 -23.68 9.26 Favored 'General case' 0 N--CA 1.477 0.906 0 N-CA-C 116.61 2.078 . . . . 0.0 116.61 -168.845 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 42.2 t -85.74 -40.74 15.77 Favored 'General case' 0 N--CA 1.48 1.029 0 CA-C-N 119.603 1.092 . . . . 0.0 113.886 -178.464 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 6.9 t -75.99 -29.85 58.34 Favored 'General case' 0 N--CA 1.479 0.979 0 C-N-CA 124.766 1.226 . . . . 0.0 112.965 -179.481 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 83.7 p -159.24 168.13 27.25 Favored 'General case' 0 CA--C 1.535 0.393 0 C-N-CA 126.005 1.722 . . . . 0.0 110.789 -179.068 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 15.6 mt -73.55 127.19 35.29 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.51 0 O-C-N 121.613 -0.68 . . . . 0.0 111.687 -171.606 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 30.1 p -103.61 154.4 19.55 Favored 'General case' 0 CA--C 1.537 0.454 0 C-N-CA 124.836 1.255 . . . . 0.0 111.902 171.339 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 69.1 m -94.1 153.25 18.23 Favored 'General case' 0 N--CA 1.47 0.548 0 CA-C-O 121.612 0.72 . . . . 0.0 112.161 170.988 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 1.7 pt? -58.67 -40.92 84.89 Favored 'General case' 0 N--CA 1.465 0.291 0 O-C-N 121.405 -0.809 . . . . 0.0 112.116 -177.296 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 22.8 p90 -68.17 -14.69 63.17 Favored 'General case' 0 CA--C 1.536 0.42 0 N-CA-C 114.235 1.198 . . . . 0.0 114.235 -173.974 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 3.5 pt20 -109.86 -29.43 8.29 Favored 'General case' 0 C--O 1.223 -0.335 0 C-N-CA 124.034 0.933 . . . . 0.0 110.676 177.6 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -70.27 -28.74 65.46 Favored 'General case' 0 CA--C 1.548 0.895 0 CA-C-N 119.802 1.183 . . . . 0.0 111.891 175.547 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 28.8 mt-10 -49.41 -36.48 22.26 Favored 'General case' 0 N--CA 1.48 1.026 0 C-N-CA 124.655 1.182 . . . . 0.0 112.066 170.411 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 5.6 m120 -60.06 -25.88 65.71 Favored 'General case' 0 CA--C 1.542 0.661 0 C-N-CA 124.981 1.313 . . . . 0.0 112.811 -173.433 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 84.1 m-85 -86.81 -6.42 58.82 Favored 'General case' 0 CA--C 1.542 0.649 0 C-N-CA 125.983 1.713 . . . . 0.0 113.55 -176.597 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 17.2 t -70.25 -25.84 63.56 Favored 'General case' 0 CA--C 1.545 0.778 0 C-N-CA 123.719 0.808 . . . . 0.0 113.021 173.647 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 C--O 1.252 1.227 0 C-N-CA 126.1 1.76 . . . . 0.0 111.823 177.107 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 1' ' ' PHE . . . . . . . . . . . . . 47.9 t80 . . . . . 0 N--CA 1.487 1.415 0 CA-C-O 119.562 -0.256 . . . . 0.0 110.649 . . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' B' B ' 2' ' ' VAL . . . . . . . . . . . . . 89.3 t -132.15 118.41 36.58 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.986 0 C-N-CA 124.794 1.238 . . . . 0.0 109.128 173.654 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 3' ' ' ASN . . . . . . . . . . . . . 72.4 m-20 -64.28 123.78 20.02 Favored 'General case' 0 CA--C 1.538 0.511 0 CA-C-O 121.158 0.504 . . . . 0.0 110.201 167.491 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 4' ' ' GLN . . . . . . . . . . . . . 11.5 pt20 -161.98 -176.43 5.19 Favored 'General case' 0 CA--C 1.536 0.423 0 C-N-CA 125.56 1.544 . . . . 0.0 109.815 -171.951 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 5' ' ' HIS . . . . . . . . . . . . . 82.4 m-70 -84.89 122.64 29.47 Favored 'General case' 0 CA--C 1.541 0.633 0 C-N-CA 123.552 0.741 . . . . 0.0 110.168 171.515 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 97.2 mt -127.57 128.81 46.24 Favored 'General case' 0 N--CA 1.468 0.468 0 C-N-CA 124.699 1.2 . . . . 0.0 110.861 -172.923 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 7' ' ' CYS . . . . . . . . . . . . . 0.4 OUTLIER -151.19 149.13 29.08 Favored 'General case' 0 N--CA 1.468 0.453 0 C-N-CA 124.117 0.967 . . . . 0.0 111.236 -178.291 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 8' ' ' GLY . . . . . . . . . . . . . . . 58.16 -127.56 45.41 Favored Glycine 0 N--CA 1.472 1.073 0 C-N-CA 123.879 0.752 . . . . 0.0 112.693 178.694 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 9' ' ' SER . . . . . . . . . . . . . 9.0 t -53.7 -42.83 68.44 Favored 'General case' 0 N--CA 1.473 0.715 0 C-N-CA 123.544 0.738 . . . . 0.0 111.941 176.767 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 10' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -59.9 -35.95 75.94 Favored 'General case' 0 N--CA 1.473 0.679 0 O-C-N 121.157 -0.964 . . . . 0.0 112.655 179.355 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 18.1 tp -73.95 -45.0 53.04 Favored 'General case' 0 CA--C 1.536 0.421 0 C-N-CA 124.177 0.991 . . . . 0.0 111.203 178.41 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 92.9 t -60.78 -41.54 88.89 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.114 0 C-N-CA 123.857 0.863 . . . . 0.0 111.198 173.601 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 21.3 mt-10 -59.45 -47.97 83.45 Favored 'General case' 0 N--CA 1.464 0.244 0 C-N-CA 125.013 1.325 . . . . 0.0 111.787 173.235 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -60.66 -47.82 84.53 Favored 'General case' 0 CA--C 1.531 0.24 0 CA-C-N 119.383 0.992 . . . . 0.0 111.695 176.799 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 3.8 mm? -54.52 -39.28 67.46 Favored 'General case' 0 N--CA 1.469 0.489 0 CA-C-N 118.729 0.695 . . . . 0.0 111.779 176.161 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 16' ' ' TYR . . . . . . . . . . . . . 75.8 t80 -62.39 -44.12 97.21 Favored 'General case' 0 CA--C 1.539 0.552 0 CA-C-N 119.049 0.841 . . . . 0.0 112.444 171.779 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 95.9 mt -68.69 -37.52 79.62 Favored 'General case' 0 CA--C 1.538 0.497 0 N-CA-C 113.365 0.876 . . . . 0.0 113.365 -178.844 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 18' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -83.32 -40.0 15.76 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.338 0 CA-C-N 118.972 0.805 . . . . 0.0 112.436 178.95 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 19' ' ' CYS . . . . . . . . . . . . . 19.5 t -106.76 -47.31 3.76 Favored 'General case' 0 CA--C 1.54 0.589 0 N-CA-C 114.031 1.123 . . . . 0.0 114.031 -172.381 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.474 1.202 0 C-N-CA 124.43 1.014 . . . . 0.0 113.482 -166.567 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 7.6 tp . . . . . 0 N--CA 1.48 1.073 0 N-CA-C 114.466 1.284 . . . . 0.0 114.466 . . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 74.3 t -64.86 -49.67 78.84 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.155 0 CA-C-N 119.869 1.213 . . . . 0.0 110.441 -175.133 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 12.4 pm0 -70.05 2.18 3.86 Favored 'General case' 0 CA--C 1.546 0.802 0 C-N-CA 124.552 1.141 . . . . 0.0 113.771 175.995 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 12.4 tp60 -101.51 -61.84 1.33 Allowed 'General case' 0 CA--C 1.538 0.494 0 C-N-CA 124.029 0.932 . . . . 0.0 110.606 163.183 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 1.8 t -89.38 -22.04 22.78 Favored 'General case' 0 CA--C 1.542 0.651 0 N-CA-C 114.995 1.48 . . . . 0.0 114.995 -164.854 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 26.4 t -75.04 -26.71 59.65 Favored 'General case' 0 N--CA 1.476 0.862 0 O-C-N 121.149 -0.969 . . . . 0.0 113.328 172.942 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 7.5 t -96.12 -33.74 11.96 Favored 'General case' 0 N--CA 1.476 0.863 0 C-N-CA 124.953 1.301 . . . . 0.0 113.045 -178.451 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 91.8 p -151.04 170.74 18.64 Favored 'General case' 0 N--CA 1.47 0.531 0 C-N-CA 125.095 1.358 . . . . 0.0 111.46 -179.255 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 15.9 mt -72.84 127.0 34.49 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.68 0 O-C-N 120.399 -1.438 . . . . 0.0 111.807 -171.097 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 15.4 p -105.54 148.99 26.65 Favored 'General case' 0 CA--C 1.538 0.483 0 C-N-CA 123.839 0.855 . . . . 0.0 112.039 166.218 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 50.8 m -103.43 155.96 18.11 Favored 'General case' 0 N--CA 1.471 0.583 0 C-N-CA 124.486 1.114 . . . . 0.0 112.144 175.583 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . 0.416 ' H ' HD21 ' A' ' 13' ' ' LEU . 1.5 pt? -58.7 -40.03 82.45 Favored 'General case' 0 CA--C 1.531 0.239 0 O-C-N 121.224 -0.923 . . . . 0.0 112.352 -172.827 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 21.6 p90 -68.38 -13.92 62.63 Favored 'General case' 0 CA--C 1.536 0.418 0 C-N-CA 125.133 1.373 . . . . 0.0 114.188 -174.13 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 3.9 pt20 -116.53 -24.74 7.69 Favored 'General case' 0 CA--C 1.535 0.389 0 C-N-CA 124.638 1.175 . . . . 0.0 111.313 179.67 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -75.09 -28.75 60.42 Favored 'General case' 0 CA--C 1.545 0.753 0 CA-C-N 119.344 0.975 . . . . 0.0 112.151 176.931 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 35.7 mt-10 -53.27 -34.97 59.44 Favored 'General case' 0 N--CA 1.481 1.092 0 C-N-CA 123.843 0.857 . . . . 0.0 111.678 170.939 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 1.7 t-20 -57.03 -27.99 62.11 Favored 'General case' 0 CA--C 1.544 0.713 0 C-N-CA 124.533 1.133 . . . . 0.0 113.233 -177.501 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 87.8 m-85 -82.82 -11.68 58.05 Favored 'General case' 0 CA--C 1.542 0.662 0 C-N-CA 125.655 1.582 . . . . 0.0 113.665 179.186 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 11.4 t -74.01 -24.6 59.6 Favored 'General case' 0 CA--C 1.544 0.749 0 C-N-CA 123.87 0.868 . . . . 0.0 112.912 177.042 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 C--O 1.253 1.285 0 C-N-CA 126.19 1.796 . . . . 0.0 111.989 177.538 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 1' ' ' PHE . . . . . . . . . . . . . 48.1 t80 . . . . . 0 N--CA 1.487 1.411 0 CA-C-O 119.387 -0.34 . . . . 0.0 110.439 . . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' B' B ' 2' ' ' VAL . . . . . . . . . . . . . 3.5 m -129.83 118.84 45.89 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.032 0 C-N-CA 124.802 1.241 . . . . 0.0 110.664 173.847 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 3' ' ' ASN . . . . . . . . . . . . . 85.2 m-20 -79.83 111.3 16.02 Favored 'General case' 0 CA--C 1.536 0.429 0 N-CA-C 109.048 -0.723 . . . . 0.0 109.048 171.874 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 4' ' ' GLN . . . . . . . . . . . . . 9.3 pt20 -161.74 -177.98 6.22 Favored 'General case' 0 CA--C 1.534 0.332 0 C-N-CA 125.354 1.461 . . . . 0.0 110.847 -175.173 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 5' ' ' HIS . . . . . . . . . . . . . 65.7 m-70 -72.76 135.37 45.29 Favored 'General case' 0 CA--C 1.541 0.606 0 C-N-CA 124.042 0.937 . . . . 0.0 109.569 168.487 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 92.3 mt -140.73 135.2 31.31 Favored 'General case' 0 N--CA 1.468 0.43 0 C-N-CA 124.794 1.238 . . . . 0.0 109.828 -175.981 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 7' ' ' CYS . . . . . . . . . . . . . 2.0 t -155.75 146.16 21.82 Favored 'General case' 0 N--CA 1.468 0.473 0 C-N-CA 123.233 0.613 . . . . 0.0 111.657 -177.619 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 8' ' ' GLY . . . . . . . . . . . . . . . 58.32 -127.28 44.76 Favored Glycine 0 CA--C 1.529 0.936 0 C-N-CA 123.815 0.721 . . . . 0.0 112.053 -178.656 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 9' ' ' SER . . . . . . . . . . . . . 20.1 m -53.18 -40.05 64.09 Favored 'General case' 0 N--CA 1.47 0.533 0 C-N-CA 124.621 1.168 . . . . 0.0 112.704 178.307 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 10' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -63.08 -36.93 85.22 Favored 'General case' 0 CA--C 1.542 0.656 0 O-C-N 121.203 -0.936 . . . . 0.0 112.6 178.442 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 15.1 tp -74.16 -43.33 57.79 Favored 'General case' 0 CA--C 1.536 0.415 0 C-N-CA 124.395 1.078 . . . . 0.0 110.923 177.856 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 71.2 t -59.53 -43.51 90.98 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.082 0 C-N-CA 123.971 0.908 . . . . 0.0 111.163 173.195 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 25.3 mt-10 -59.15 -46.93 87.09 Favored 'General case' 0 N--CA 1.466 0.363 0 C-N-CA 124.208 1.003 . . . . 0.0 111.947 173.37 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -60.68 -48.22 82.77 Favored 'General case' 0 CA--C 1.534 0.354 0 CA-C-N 119.169 0.895 . . . . 0.0 111.992 177.344 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 3.9 mm? -56.58 -38.13 71.54 Favored 'General case' 0 N--CA 1.469 0.518 0 CA-C-N 118.692 0.678 . . . . 0.0 111.893 176.241 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 16' ' ' TYR . . . . . . . . . . . . . 83.8 t80 -61.33 -46.76 88.91 Favored 'General case' 0 CA--C 1.536 0.41 0 CA-C-N 119.179 0.899 . . . . 0.0 112.08 171.034 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 96.8 mt -62.34 -49.18 76.62 Favored 'General case' 0 CA--C 1.537 0.447 0 CA-C-N 118.675 0.671 . . . . 0.0 112.273 -179.605 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 18' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -77.68 -41.24 28.55 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.185 0 CA-C-N 118.521 0.601 . . . . 0.0 112.525 -176.097 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 19' ' ' CYS . . . . . . . . . . . . . 18.0 t -110.77 -39.2 4.92 Favored 'General case' 0 CA--C 1.541 0.609 0 N-CA-C 114.101 1.149 . . . . 0.0 114.101 -169.723 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.476 1.304 0 C-N-CA 123.89 0.757 . . . . 0.0 114.03 -170.014 . . . . . . . . 0 0 . 1 . 021 nuclear orig core ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 6.8 tp . . . . . 0 N--CA 1.485 1.324 0 N-CA-C 114.121 1.156 . . . . 0.0 114.121 . . . . . . . . . 0 0 . 1 . 021 nuclear orig core ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 93.5 t -58.71 -36.22 59.37 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.977 0 C-N-CA 123.96 0.904 . . . . 0.0 111.07 176.287 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 37.9 mt-10 -77.93 0.58 23.65 Favored 'General case' 0 CA--C 1.543 0.706 0 C-N-CA 124.455 1.102 . . . . 0.0 112.947 179.255 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 18.3 tp60 -111.02 -50.11 2.97 Favored 'General case' 0 CA--C 1.536 0.426 0 C-N-CA 124.497 1.119 . . . . 0.0 111.147 169.475 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 1.6 t -100.18 -21.88 15.37 Favored 'General case' 0 N--CA 1.471 0.595 0 N-CA-C 115.307 1.595 . . . . 0.0 115.307 -167.549 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 18.6 t -79.65 -29.86 41.09 Favored 'General case' 0 N--CA 1.477 0.908 0 O-C-N 120.954 -1.091 . . . . 0.0 112.735 169.891 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 5.8 t -82.41 -33.19 28.75 Favored 'General case' 0 N--CA 1.475 0.79 0 C-N-CA 124.745 1.218 . . . . 0.0 112.823 176.912 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 4.9 t -153.17 -171.71 4.01 Favored 'General case' 0 CA--C 1.543 0.709 0 C-N-CA 124.364 1.066 . . . . 0.0 112.651 -174.94 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 31.4 mm -63.39 138.63 22.63 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.572 0 O-C-N 120.87 -1.144 . . . . 0.0 110.528 173.464 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 14.5 p -126.83 150.69 49.06 Favored 'General case' 0 N--CA 1.469 0.515 0 CA-C-O 121.984 0.897 . . . . 0.0 112.796 155.976 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 20.1 m -107.74 152.97 23.64 Favored 'General case' 0 N--CA 1.469 0.504 0 C-N-CA 125.222 1.409 . . . . 0.0 111.576 176.718 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 1.8 pt? -57.78 -40.88 80.89 Favored 'General case' 0 N--CA 1.463 0.224 0 O-C-N 121.433 -0.792 . . . . 0.0 111.875 -172.331 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 22.3 p90 -67.42 -13.31 61.91 Favored 'General case' 0 CA--C 1.537 0.459 0 C-N-CA 125.112 1.365 . . . . 0.0 114.569 -174.992 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 3.9 pt20 -117.43 -24.82 7.21 Favored 'General case' 0 CA--C 1.535 0.385 0 C-N-CA 124.357 1.063 . . . . 0.0 111.06 179.734 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -76.05 -28.66 57.73 Favored 'General case' 0 CA--C 1.549 0.931 0 CA-C-N 118.946 0.793 . . . . 0.0 111.459 173.935 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 31.6 mt-10 -50.7 -32.26 18.92 Favored 'General case' 0 N--CA 1.481 1.11 0 C-N-CA 125.044 1.338 . . . . 0.0 112.013 167.072 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 1.2 t-20 -62.82 -23.97 67.53 Favored 'General case' 0 CA--C 1.542 0.657 0 C-N-CA 124.176 0.99 . . . . 0.0 112.967 -176.748 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 79.2 m-85 -84.29 -1.14 54.81 Favored 'General case' 0 CA--C 1.547 0.856 0 C-N-CA 125.907 1.683 . . . . 0.0 113.013 177.614 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 11.7 t -72.2 -23.24 61.23 Favored 'General case' 0 CA--C 1.546 0.81 0 C-N-CA 125.095 1.358 . . . . 0.0 112.923 168.54 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 35.2 m120 . . . . . 0 C--O 1.253 1.259 0 C-N-CA 125.669 1.588 . . . . 0.0 113.535 178.395 . . . . . . . . 0 0 . 1 . 021 nuclear orig core ' B' B ' 1' ' ' PHE . . . . . . . . . . . . . 41.4 t80 . . . . . 0 N--CA 1.487 1.386 0 CA-C-O 119.734 -0.174 . . . . 0.0 110.639 . . . . . . . . . 0 0 . 1 . 021 nuclear orig core ' B' B ' 2' ' ' VAL . . . . . . . . . . . . . 84.3 t -130.31 123.38 55.53 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.997 0 C-N-CA 124.843 1.257 . . . . 0.0 108.456 171.127 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' B' B ' 3' ' ' ASN . . . . . . . . . . . . . 60.3 m-20 -68.14 118.21 10.98 Favored 'General case' 0 CA--C 1.536 0.408 0 C-N-CA 123.639 0.775 . . . . 0.0 109.506 177.038 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' B' B ' 4' ' ' GLN . . . . . . . . . . . . . 11.7 pt20 -159.17 179.5 8.96 Favored 'General case' 0 CA--C 1.535 0.39 0 CA-C-O 121.243 0.544 . . . . 0.0 112.104 -165.848 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' B' B ' 5' ' ' HIS . . . . . . . . . . . . . 68.4 m-70 -81.52 128.58 34.05 Favored 'General case' 0 CA--C 1.547 0.835 0 C-N-CA 124.459 1.104 . . . . 0.0 110.109 168.574 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 89.9 mt -135.21 137.93 43.12 Favored 'General case' 0 N--CA 1.471 0.615 0 C-N-CA 125.063 1.345 . . . . 0.0 110.701 -176.841 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' B' B ' 7' ' ' CYS . . . . . . . . . . . . . 2.5 t -155.68 148.05 23.76 Favored 'General case' 0 N--CA 1.469 0.51 0 O-C-N 121.558 -0.714 . . . . 0.0 111.834 179.142 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' B' B ' 8' ' ' GLY . . . . . . . . . . . . . . . 60.22 -129.59 47.84 Favored Glycine 0 CA--C 1.529 0.909 0 C-N-CA 123.859 0.742 . . . . 0.0 112.133 -179.181 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' B' B ' 9' ' ' SER . . . . . . . . . . . . . 20.3 m -53.81 -38.14 64.26 Favored 'General case' 0 N--CA 1.47 0.563 0 C-N-CA 124.575 1.15 . . . . 0.0 112.792 179.082 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' B' B ' 10' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -63.24 -38.97 93.24 Favored 'General case' 0 CA--C 1.542 0.638 0 O-C-N 121.24 -0.913 . . . . 0.0 112.568 177.342 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 14.8 tp -72.18 -43.11 65.03 Favored 'General case' 0 CA--C 1.535 0.369 0 C-N-CA 124.276 1.03 . . . . 0.0 110.823 177.332 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 73.4 t -60.43 -42.76 92.26 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.988 0 C-N-CA 123.798 0.839 . . . . 0.0 111.292 174.219 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 16.8 mt-10 -60.46 -43.25 97.07 Favored 'General case' 0 N--CA 1.469 0.501 0 C-N-CA 123.984 0.914 . . . . 0.0 112.455 173.938 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -62.5 -50.85 69.77 Favored 'General case' 0 CA--C 1.536 0.413 0 CA-C-N 118.702 0.683 . . . . 0.0 111.14 174.863 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 4.1 mm? -57.23 -34.79 68.93 Favored 'General case' 0 N--CA 1.47 0.558 0 CA-C-N 119.088 0.858 . . . . 0.0 112.182 176.902 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' B' B ' 16' ' ' TYR . . . . . . . . . . . . . 57.8 t80 -59.46 -40.36 86.62 Favored 'General case' 0 CA--C 1.54 0.567 0 CA-C-N 120.901 1.682 . . . . 0.0 112.532 171.432 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 87.0 mt -77.52 -37.43 50.98 Favored 'General case' 0 CA--C 1.539 0.54 0 N-CA-C 113.471 0.915 . . . . 0.0 113.471 -178.523 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' B' B ' 18' ' ' VAL . . . . . . . . . . . . . 0.1 OUTLIER -94.13 -27.76 4.34 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.557 0 N-CA-C 114.783 1.401 . . . . 0.0 114.783 -178.84 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' B' B ' 19' ' ' CYS . . . . . . . . . . . . . 52.5 t -114.94 -41.5 3.34 Favored 'General case' 0 N--CA 1.475 0.802 0 C-N-CA 124.442 1.097 . . . . 0.0 112.826 -177.575 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.474 1.2 0 C-N-CA 123.703 0.668 . . . . 0.0 112.739 -174.452 . . . . . . . . 0 0 . 1 . 022 nuclear orig core ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 6.3 tp . . . . . 0 N--CA 1.484 1.231 0 N-CA-C 113.98 1.104 . . . . 0.0 113.98 . . . . . . . . . 0 0 . 1 . 022 nuclear orig core ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 95.9 t -62.4 -33.5 59.51 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.972 0 C-N-CA 123.665 0.786 . . . . 0.0 111.198 176.961 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 44.0 mt-10 -77.12 -9.2 58.59 Favored 'General case' 0 CA--C 1.543 0.707 0 C-N-CA 124.029 0.932 . . . . 0.0 112.734 177.595 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 8.2 tp-100 -95.59 -47.71 6.11 Favored 'General case' 0 CA--C 1.538 0.481 0 C-N-CA 124.695 1.198 . . . . 0.0 110.527 172.815 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 63.0 m -103.11 -29.51 11.29 Favored 'General case' 0 N--CA 1.47 0.545 0 N-CA-C 116.158 1.91 . . . . 0.0 116.158 -166.947 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 16.6 t -79.42 -26.84 41.78 Favored 'General case' 0 N--CA 1.478 0.972 0 CA-C-N 119.282 0.946 . . . . 0.0 113.153 178.113 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 5.9 t -75.6 -34.77 60.63 Favored 'General case' 0 N--CA 1.476 0.827 0 C-N-CA 125.01 1.324 . . . . 0.0 113.103 -179.623 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 9' ' ' SER . . . . . 0.413 ' HA ' ' CE1' ' B' ' 5' ' ' HIS . 5.0 t -165.26 -172.38 2.49 Favored 'General case' 0 CA--C 1.543 0.684 0 C-N-CA 124.785 1.234 . . . . 0.0 112.072 -170.69 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 33.6 mm -58.29 128.98 19.74 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.623 0 C-N-CA 124.3 1.04 . . . . 0.0 110.531 172.674 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 15.6 p -125.64 150.03 47.93 Favored 'General case' 0 N--CA 1.469 0.494 0 C-N-CA 123.347 0.659 . . . . 0.0 112.096 165.036 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 50.9 m -106.54 153.33 22.48 Favored 'General case' 0 N--CA 1.471 0.587 0 C-N-CA 125.025 1.33 . . . . 0.0 112.449 -179.219 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 1.9 pt? -58.12 -40.19 80.6 Favored 'General case' 0 CA--C 1.53 0.2 0 C-N-CA 124.023 0.929 . . . . 0.0 112.106 -175.696 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 18.0 p90 -68.51 -13.33 62.25 Favored 'General case' 0 CA--C 1.536 0.433 0 C-N-CA 124.8 1.24 . . . . 0.0 114.329 -175.35 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 3.4 pt20 -114.62 -22.57 9.69 Favored 'General case' 0 C--O 1.223 -0.295 0 C-N-CA 124.043 0.937 . . . . 0.0 111.555 177.867 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -80.83 -25.77 37.54 Favored 'General case' 0 CA--C 1.548 0.87 0 CA-C-N 119.279 0.945 . . . . 0.0 111.805 175.96 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 20.1 mt-10 -54.05 -27.7 34.01 Favored 'General case' 0 N--CA 1.48 1.031 0 C-N-CA 124.144 0.977 . . . . 0.0 112.352 166.903 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 83.3 m-20 -64.12 -17.01 63.04 Favored 'General case' 0 CA--C 1.541 0.601 0 C-N-CA 123.912 0.885 . . . . 0.0 113.132 -176.202 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 77.7 m-85 -96.68 1.03 50.62 Favored 'General case' 0 CA--C 1.549 0.926 0 C-N-CA 126.87 2.068 . . . . 0.0 112.993 179.05 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 47.7 t -71.2 -30.11 65.99 Favored 'General case' 0 N--CA 1.474 0.725 0 C-N-CA 125.521 1.528 . . . . 0.0 113.473 176.577 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--O 1.253 1.267 0 C-N-CA 125.958 1.703 . . . . 0.0 113.239 179.154 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' B' B ' 1' ' ' PHE . . . . . . . . . . . . . 21.8 t80 . . . . . 0 N--CA 1.487 1.409 0 CA-C-O 119.625 -0.226 . . . . 0.0 110.504 . . . . . . . . . 0 0 . 1 . 022 nuclear orig core ' B' B ' 2' ' ' VAL . . . . . . . . . . . . . 17.8 m -134.79 139.23 47.93 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.054 0 C-N-CA 124.55 1.14 . . . . 0.0 109.988 166.189 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' B' B ' 3' ' ' ASN . . . . . . . . . . . . . 5.2 p30 -61.62 129.83 42.99 Favored 'General case' 0 CA--C 1.535 0.375 0 CA-C-O 120.707 0.289 . . . . 0.0 110.236 166.021 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' B' B ' 4' ' ' GLN . . . . . . . . . . . . . 20.4 pt20 -163.11 174.97 11.53 Favored 'General case' 0 CA--C 1.532 0.27 0 CA-C-O 121.531 0.682 . . . . 0.0 111.144 -169.464 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' B' B ' 5' ' ' HIS . . . . . 0.413 ' CE1' ' HA ' ' A' ' 9' ' ' SER . 78.3 m-70 -77.56 127.41 32.45 Favored 'General case' 0 CA--C 1.543 0.69 0 C-N-CA 124.063 0.945 . . . . 0.0 110.046 169.07 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 89.8 mt -135.19 129.3 33.53 Favored 'General case' 0 N--CA 1.471 0.597 0 C-N-CA 124.181 0.992 . . . . 0.0 111.037 -176.766 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' B' B ' 7' ' ' CYS . . . . . . . . . . . . . 2.1 t -155.23 146.38 22.7 Favored 'General case' 0 N--CA 1.469 0.481 0 C-N-CA 123.472 0.709 . . . . 0.0 111.313 178.811 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' B' B ' 8' ' ' GLY . . . . . . . . . . . . . . . 60.52 -128.08 44.77 Favored Glycine 0 CA--C 1.53 0.998 0 C-N-CA 123.783 0.706 . . . . 0.0 112.423 -178.753 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' B' B ' 9' ' ' SER . . . . . . . . . . . . . 8.6 t -55.5 -38.83 69.69 Favored 'General case' 0 N--CA 1.472 0.663 0 C-N-CA 123.9 0.88 . . . . 0.0 112.55 179.548 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' B' B ' 10' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -61.6 -39.77 92.42 Favored 'General case' 0 N--CA 1.473 0.702 0 O-C-N 120.959 -1.088 . . . . 0.0 112.461 176.411 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 17.8 tp -69.52 -44.73 70.42 Favored 'General case' 0 CA--C 1.533 0.316 0 C-N-CA 124.03 0.932 . . . . 0.0 110.777 177.684 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 82.2 t -59.78 -42.72 89.79 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.002 0 C-N-CA 123.662 0.785 . . . . 0.0 111.213 174.738 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 19.3 mt-10 -60.46 -45.94 91.89 Favored 'General case' 0 N--CA 1.468 0.428 0 C-N-CA 123.689 0.796 . . . . 0.0 112.379 173.747 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -62.62 -47.52 83.39 Favored 'General case' 0 CA--C 1.533 0.294 0 CA-C-N 119.184 0.902 . . . . 0.0 111.527 177.153 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -58.97 -35.17 72.73 Favored 'General case' 0 N--CA 1.466 0.357 0 CA-C-O 118.43 -0.795 . . . . 0.0 111.627 176.668 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' B' B ' 16' ' ' TYR . . . . . . . . . . . . . 87.4 t80 -60.44 -41.65 94.48 Favored 'General case' 0 CA--C 1.538 0.488 0 CA-C-N 121.047 1.749 . . . . 0.0 112.394 170.887 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 94.6 mt -70.44 -47.08 62.41 Favored 'General case' 0 CA--C 1.54 0.583 0 CA-C-O 118.882 -0.58 . . . . 0.0 112.426 -179.7 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' B' B ' 18' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -84.94 -35.59 10.21 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.509 0 N-CA-C 113.905 1.076 . . . . 0.0 113.905 -176.85 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' B' B ' 19' ' ' CYS . . . . . . . . . . . . . 52.2 t -108.08 -42.5 4.64 Favored 'General case' 0 N--CA 1.471 0.595 0 C-N-CA 124.491 1.116 . . . . 0.0 112.625 -175.182 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.47 0.953 0 C-N-CA 123.894 0.759 . . . . 0.0 112.705 -175.339 . . . . . . . . 0 0 . 1 . 023 nuclear orig core ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 7.0 tp . . . . . 0 N--CA 1.484 1.264 0 N-CA-C 113.718 1.007 . . . . 0.0 113.718 . . . . . . . . . 0 0 . 1 . 023 nuclear orig core ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 88.3 t -61.59 -33.17 56.05 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.882 0 C-N-CA 124.164 0.985 . . . . 0.0 111.261 179.03 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 43.8 mt-10 -76.79 -7.31 55.17 Favored 'General case' 0 CA--C 1.542 0.664 0 C-N-CA 124.078 0.951 . . . . 0.0 112.916 179.304 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 10.6 tp60 -105.51 -44.77 4.61 Favored 'General case' 0 CA--C 1.538 0.504 0 C-N-CA 124.307 1.043 . . . . 0.0 111.385 172.372 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 60.0 m -93.16 -34.08 13.76 Favored 'General case' 0 N--CA 1.472 0.653 0 N-CA-C 115.632 1.716 . . . . 0.0 115.632 -172.694 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 10.9 t -78.63 -24.47 45.26 Favored 'General case' 0 N--CA 1.477 0.882 0 N-CA-C 113.349 0.87 . . . . 0.0 113.349 -179.706 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 5.5 t -81.39 -33.88 31.99 Favored 'General case' 0 N--CA 1.475 0.817 0 C-N-CA 124.916 1.286 . . . . 0.0 113.29 179.673 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 9' ' ' SER . . . . . 0.403 ' HA ' ' CE1' ' B' ' 5' ' ' HIS . 5.5 t -163.62 -173.13 3.16 Favored 'General case' 0 CA--C 1.543 0.696 0 C-N-CA 124.513 1.125 . . . . 0.0 112.243 -169.823 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 34.3 mm -60.15 126.41 17.9 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.647 0 O-C-N 121.326 -0.858 . . . . 0.0 109.662 171.481 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 23.2 p -116.81 152.35 34.59 Favored 'General case' 0 N--CA 1.467 0.397 0 CA-C-O 121.521 0.677 . . . . 0.0 112.082 166.793 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 15.5 m -106.75 148.23 28.69 Favored 'General case' 0 N--CA 1.467 0.403 0 C-N-CA 123.773 0.829 . . . . 0.0 112.336 -174.286 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 1.9 pt? -56.51 -40.47 75.05 Favored 'General case' 0 N--CA 1.466 0.37 0 O-C-N 121.537 -0.727 . . . . 0.0 111.838 -175.732 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 15.5 p90 -67.42 -13.61 62.18 Favored 'General case' 0 CA--C 1.535 0.401 0 N-CA-C 114.709 1.374 . . . . 0.0 114.709 -175.662 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 3.0 pt20 -112.5 -32.22 6.54 Favored 'General case' 0 N--CA 1.464 0.256 0 C-N-CA 123.42 0.688 . . . . 0.0 110.501 177.05 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -71.27 -31.6 67.69 Favored 'General case' 0 CA--C 1.547 0.857 0 CA-C-N 118.987 0.812 . . . . 0.0 111.456 -177.849 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 29.2 mt-10 -50.74 -40.4 54.54 Favored 'General case' 0 N--CA 1.478 0.966 0 C-N-CA 124.961 1.304 . . . . 0.0 111.48 168.95 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 1.7 t-20 -59.71 -28.86 67.69 Favored 'General case' 0 CA--C 1.541 0.618 0 C-N-CA 124.551 1.14 . . . . 0.0 113.429 -171.098 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 88.3 m-85 -79.19 -9.7 59.63 Favored 'General case' 0 CA--C 1.544 0.716 0 C-N-CA 125.211 1.404 . . . . 0.0 113.627 179.425 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 12.9 t -70.21 -24.83 63.18 Favored 'General case' 0 CA--C 1.545 0.775 0 C-N-CA 123.872 0.869 . . . . 0.0 113.087 176.63 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 C--O 1.253 1.278 0 C-N-CA 126.17 1.788 . . . . 0.0 111.927 177.266 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' B' B ' 1' ' ' PHE . . . . . . . . . . . . . 51.0 t80 . . . . . 0 N--CA 1.485 1.312 0 CA-C-O 120.617 0.246 . . . . 0.0 110.792 . . . . . . . . . 0 0 . 1 . 023 nuclear orig core ' B' B ' 2' ' ' VAL . . . . . . . . . . . . . 9.7 p -149.17 131.98 6.79 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.768 0 C-N-CA 125.28 1.432 . . . . 0.0 108.673 166.229 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' B' B ' 3' ' ' ASN . . . . . . . . . . . . . 72.1 m-20 -60.76 121.24 11.78 Favored 'General case' 0 CA--C 1.533 0.314 0 N-CA-C 109.66 -0.496 . . . . 0.0 109.66 173.814 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' B' B ' 4' ' ' GLN . . . . . . . . . . . . . 18.3 pt20 -156.24 177.21 11.7 Favored 'General case' 0 CA--C 1.532 0.275 0 CA-C-O 121.675 0.75 . . . . 0.0 111.527 -168.528 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' B' B ' 5' ' ' HIS . . . . . 0.403 ' CE1' ' HA ' ' A' ' 9' ' ' SER . 78.0 m-70 -79.04 125.92 30.03 Favored 'General case' 0 CA--C 1.544 0.738 0 C-N-CA 124.289 1.036 . . . . 0.0 109.981 170.667 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 88.5 mt -136.7 133.41 36.1 Favored 'General case' 0 N--CA 1.472 0.666 0 C-N-CA 124.233 1.013 . . . . 0.0 111.214 -175.481 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' B' B ' 7' ' ' CYS . . . . . . . . . . . . . 2.3 t -157.9 145.83 18.68 Favored 'General case' 0 CA--C 1.535 0.389 0 C-N-CA 123.766 0.826 . . . . 0.0 111.133 179.718 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' B' B ' 8' ' ' GLY . . . . . . . . . . . . . . . 61.38 -125.9 38.62 Favored Glycine 0 N--CA 1.47 0.923 0 C-N-CA 123.779 0.704 . . . . 0.0 112.958 179.813 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' B' B ' 9' ' ' SER . . . . . . . . . . . . . 5.8 p -50.36 -44.31 54.56 Favored 'General case' 0 N--CA 1.471 0.593 0 C-N-CA 125.144 1.378 . . . . 0.0 112.794 175.569 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' B' B ' 10' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -63.74 -35.55 80.94 Favored 'General case' 0 N--CA 1.47 0.551 0 O-C-N 121.366 -0.834 . . . . 0.0 112.606 179.083 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 14.7 tp -71.65 -45.02 63.27 Favored 'General case' 0 CA--C 1.536 0.419 0 C-N-CA 123.989 0.916 . . . . 0.0 110.875 177.976 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 81.5 t -59.97 -43.71 93.0 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.012 0 C-N-CA 123.859 0.864 . . . . 0.0 111.113 173.717 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 24.2 mt-10 -59.64 -45.96 90.43 Favored 'General case' 0 N--CA 1.465 0.306 0 C-N-CA 123.995 0.918 . . . . 0.0 112.225 174.194 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -61.86 -49.6 75.6 Favored 'General case' 0 N--CA 1.454 -0.243 0 CA-C-N 119.149 0.886 . . . . 0.0 111.516 177.97 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 3.8 mm? -54.61 -38.56 66.94 Favored 'General case' 0 N--CA 1.47 0.572 0 CA-C-N 119.008 0.822 . . . . 0.0 111.839 177.229 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' B' B ' 16' ' ' TYR . . . . . . . . . . . . . 71.9 t80 -61.24 -45.63 93.73 Favored 'General case' 0 CA--C 1.537 0.443 0 CA-C-N 118.931 0.787 . . . . 0.0 112.299 171.71 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 95.6 mt -67.43 -47.39 70.34 Favored 'General case' 0 CA--C 1.539 0.521 0 CA-C-N 119.096 0.862 . . . . 0.0 112.847 -179.653 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' B' B ' 18' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -78.79 -33.25 16.31 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.345 0 CA-C-N 118.735 0.698 . . . . 0.0 112.706 -175.726 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' B' B ' 19' ' ' CYS . . . . . . . . . . . . . 28.9 t -115.47 -45.89 2.9 Favored 'General case' 0 CA--C 1.541 0.6 0 N-CA-C 114.25 1.204 . . . . 0.0 114.25 -174.146 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.477 1.409 0 C-N-CA 123.596 0.617 . . . . 0.0 114.389 -164.724 . . . . . . . . 0 0 . 1 . 024 nuclear orig core ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 7.5 tp . . . . . 0 N--CA 1.484 1.229 0 N-CA-C 113.406 0.891 . . . . 0.0 113.406 . . . . . . . . . 0 0 . 1 . 024 nuclear orig core ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 76.9 t -61.01 -43.81 96.91 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.175 0 C-N-CA 123.902 0.881 . . . . 0.0 111.094 -173.254 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 23.7 pt-20 -70.93 -5.99 35.04 Favored 'General case' 0 CA--C 1.547 0.864 0 N-CA-C 114.264 1.209 . . . . 0.0 114.264 176.595 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 36.3 tp60 -92.93 -52.69 4.48 Favored 'General case' 0 CA--C 1.54 0.558 0 CA-C-N 120.08 1.309 . . . . 0.0 110.892 165.075 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 65.4 m -90.51 -32.41 16.35 Favored 'General case' 0 N--CA 1.474 0.73 0 N-CA-C 116.144 1.905 . . . . 0.0 116.144 -167.683 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 18.3 t -75.7 -24.82 56.26 Favored 'General case' 0 N--CA 1.477 0.885 0 O-C-N 121.163 -0.961 . . . . 0.0 113.446 -178.088 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 6.5 t -95.19 -31.99 13.25 Favored 'General case' 0 N--CA 1.475 0.796 0 C-N-CA 125.388 1.475 . . . . 0.0 113.467 -177.006 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 59.2 m -146.99 171.43 15.26 Favored 'General case' 0 CA--C 1.543 0.708 0 C-N-CA 125.078 1.351 . . . . 0.0 112.189 -171.835 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 27.5 mm -56.97 125.43 12.91 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.819 0 O-C-N 121.215 -0.928 . . . . 0.0 109.177 167.899 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 18.1 p -117.02 150.42 38.64 Favored 'General case' 0 CA--C 1.534 0.342 0 CA-C-O 121.574 0.702 . . . . 0.0 111.822 168.147 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 13.5 m -107.09 152.48 23.97 Favored 'General case' 0 N--CA 1.469 0.514 0 C-N-CA 123.788 0.835 . . . . 0.0 112.68 -172.31 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 1.6 pt? -57.28 -40.01 76.87 Favored 'General case' 0 N--CA 1.467 0.383 0 O-C-N 121.533 -0.729 . . . . 0.0 111.885 -174.305 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 21.1 p90 -69.71 -10.28 57.69 Favored 'General case' 0 CA--C 1.537 0.48 0 C-N-CA 125.054 1.342 . . . . 0.0 114.589 -176.3 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 3.6 pt20 -118.9 -30.94 4.92 Favored 'General case' 0 C--O 1.222 -0.393 0 C-N-CA 123.786 0.834 . . . . 0.0 111.003 -179.784 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -70.68 -33.14 70.6 Favored 'General case' 0 CA--C 1.549 0.92 0 CA-C-N 119.324 0.965 . . . . 0.0 111.145 176.181 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 14.6 mt-10 -47.99 -35.99 11.91 Favored 'General case' 0 N--CA 1.479 0.996 0 C-N-CA 126.147 1.779 . . . . 0.0 112.811 170.141 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 81.0 m-20 -61.63 -18.44 59.46 Favored 'General case' 0 CA--C 1.539 0.547 0 C-N-CA 124.809 1.244 . . . . 0.0 113.519 -173.934 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 88.5 m-85 -99.49 1.93 44.45 Favored 'General case' 0 CA--C 1.546 0.809 0 C-N-CA 126.37 1.868 . . . . 0.0 113.679 -176.188 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 49.0 t -67.1 -33.67 75.98 Favored 'General case' 0 N--CA 1.474 0.729 0 N-CA-C 113.168 0.803 . . . . 0.0 113.168 176.113 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--O 1.253 1.268 0 C-N-CA 125.763 1.625 . . . . 0.0 113.037 176.754 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' B' B ' 1' ' ' PHE . . . . . . . . . . . . . 56.3 t80 . . . . . 0 N--CA 1.486 1.358 0 N-CA-C 110.77 -0.085 . . . . 0.0 110.77 . . . . . . . . . 0 0 . 1 . 024 nuclear orig core ' B' B ' 2' ' ' VAL . . . . . . . . . . . . . 11.5 p -143.98 131.96 18.14 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.805 0 C-N-CA 125.001 1.321 . . . . 0.0 109.112 166.938 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' B' B ' 3' ' ' ASN . . . . . . . . . . . . . 72.0 m-20 -61.07 121.77 13.3 Favored 'General case' 0 CA--C 1.533 0.324 0 N-CA-C 109.597 -0.52 . . . . 0.0 109.597 173.531 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' B' B ' 4' ' ' GLN . . . . . . . . . . . . . 21.0 pt20 -157.27 177.93 10.91 Favored 'General case' 0 CA--C 1.532 0.276 0 CA-C-O 121.638 0.732 . . . . 0.0 111.528 -169.177 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' B' B ' 5' ' ' HIS . . . . . . . . . . . . . 75.9 m-70 -81.63 129.53 34.73 Favored 'General case' 0 CA--C 1.544 0.72 0 C-N-CA 124.105 0.962 . . . . 0.0 110.087 169.865 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 74.8 mt -139.52 133.12 30.4 Favored 'General case' 0 N--CA 1.471 0.582 0 C-N-CA 124.532 1.133 . . . . 0.0 111.19 -172.76 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' B' B ' 7' ' ' CYS . . . . . . . . . . . . . 1.6 t -156.09 147.48 22.61 Favored 'General case' 0 N--CA 1.468 0.473 0 C-N-CA 123.589 0.756 . . . . 0.0 111.385 179.22 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' B' B ' 8' ' ' GLY . . . . . . . . . . . . . . . 59.9 -128.88 47.32 Favored Glycine 0 N--CA 1.471 1.027 0 C-N-CA 123.919 0.771 . . . . 0.0 112.548 -179.19 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' B' B ' 9' ' ' SER . . . . . . . . . . . . . 20.4 m -55.5 -36.04 66.23 Favored 'General case' 0 N--CA 1.471 0.619 0 C-N-CA 124.558 1.143 . . . . 0.0 113.014 178.946 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' B' B ' 10' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -64.11 -36.92 85.62 Favored 'General case' 0 CA--C 1.541 0.631 0 O-C-N 121.26 -0.9 . . . . 0.0 112.322 175.593 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 15.8 tp -73.17 -42.13 63.1 Favored 'General case' 0 CA--C 1.536 0.418 0 C-N-CA 124.434 1.094 . . . . 0.0 111.256 178.135 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 91.4 t -59.44 -43.11 89.74 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.044 0 C-N-CA 124.021 0.928 . . . . 0.0 111.138 171.636 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 15.7 mm-40 -60.63 -49.6 76.89 Favored 'General case' 0 C--O 1.223 -0.318 0 CA-C-O 118.536 -0.745 . . . . 0.0 111.582 171.69 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -54.54 -49.22 70.79 Favored 'General case' 0 CA--C 1.531 0.238 0 CA-C-N 120.189 1.359 . . . . 0.0 111.905 179.698 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 4.0 mm? -54.65 -38.65 67.15 Favored 'General case' 0 N--CA 1.471 0.608 0 CA-C-N 119.031 0.832 . . . . 0.0 112.201 174.802 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' B' B ' 16' ' ' TYR . . . . . . . . . . . . . 76.2 t80 -64.34 -41.93 96.53 Favored 'General case' 0 CA--C 1.543 0.68 0 O-C-N 121.306 -0.871 . . . . 0.0 112.586 171.218 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 90.9 mt -68.99 -46.48 67.95 Favored 'General case' 0 CA--C 1.537 0.48 0 O-C-N 121.278 -0.889 . . . . 0.0 112.8 -178.965 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' B' B ' 18' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -71.2 -48.96 51.69 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.117 0 CA-C-N 118.451 0.569 . . . . 0.0 111.699 177.273 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' B' B ' 19' ' ' CYS . . . . . . . . . . . . . 17.2 t -109.71 -42.64 4.22 Favored 'General case' 0 N--CA 1.47 0.542 0 N-CA-C 113.738 1.014 . . . . 0.0 113.738 -167.957 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.477 1.371 0 CA-C-N 118.778 0.717 . . . . 0.0 113.821 -170.2 . . . . . . . . 0 0 . 1 . 025 nuclear orig core ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 8.6 tp . . . . . 0 N--CA 1.483 1.209 0 N-CA-C 114.479 1.288 . . . . 0.0 114.479 . . . . . . . . . 0 0 . 1 . 025 nuclear orig core ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 89.5 t -63.31 -40.9 90.78 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.004 0 CA-C-N 119.179 0.9 . . . . 0.0 109.892 -179.839 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 2.6 mp0 -71.69 1.86 6.15 Favored 'General case' 0 CA--C 1.547 0.832 0 C-N-CA 125.351 1.46 . . . . 0.0 113.686 175.587 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 16.6 tp60 -113.05 -51.85 2.81 Favored 'General case' 0 CA--C 1.538 0.511 0 C-N-CA 124.664 1.185 . . . . 0.0 111.49 169.528 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 1.6 t -100.26 -21.91 15.31 Favored 'General case' 0 N--CA 1.472 0.647 0 N-CA-C 115.221 1.563 . . . . 0.0 115.221 -168.188 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 21.5 t -78.19 -29.62 48.54 Favored 'General case' 0 N--CA 1.477 0.878 0 O-C-N 120.854 -1.153 . . . . 0.0 112.687 169.48 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 6.5 t -85.53 -32.12 22.35 Favored 'General case' 0 N--CA 1.476 0.829 0 C-N-CA 124.926 1.29 . . . . 0.0 113.022 177.628 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 5.5 t -150.61 -175.07 4.96 Favored 'General case' 0 CA--C 1.543 0.707 0 C-N-CA 124.154 0.981 . . . . 0.0 112.712 -175.93 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 29.6 mm -66.31 137.0 25.72 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.59 0 O-C-N 120.804 -1.185 . . . . 0.0 110.054 172.764 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 15.4 p -122.79 154.87 37.63 Favored 'General case' 0 N--CA 1.471 0.58 0 CA-C-O 121.875 0.845 . . . . 0.0 112.839 161.513 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 19.2 m -107.36 151.23 25.78 Favored 'General case' 0 N--CA 1.469 0.483 0 C-N-CA 125.054 1.342 . . . . 0.0 111.636 179.258 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 1.8 pt? -59.22 -39.0 81.33 Favored 'General case' 0 N--CA 1.465 0.31 0 O-C-N 121.28 -0.887 . . . . 0.0 112.138 -174.037 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 18.3 p90 -69.51 -13.21 62.22 Favored 'General case' 0 CA--C 1.535 0.382 0 C-N-CA 125.067 1.347 . . . . 0.0 114.093 -174.418 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 4.0 pt20 -113.21 -30.83 6.82 Favored 'General case' 0 C--O 1.222 -0.37 0 C-N-CA 124.144 0.978 . . . . 0.0 110.515 177.009 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -71.17 -26.84 63.15 Favored 'General case' 0 CA--C 1.546 0.826 0 CA-C-N 120.134 1.334 . . . . 0.0 112.173 -179.57 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 31.8 mt-10 -50.23 -36.21 30.06 Favored 'General case' 0 N--CA 1.479 1.021 0 C-N-CA 124.157 0.983 . . . . 0.0 111.984 169.494 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 62.2 m-20 -61.46 -24.54 66.63 Favored 'General case' 0 CA--C 1.54 0.59 0 C-N-CA 124.721 1.208 . . . . 0.0 112.908 -172.119 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 86.2 m-85 -88.46 -6.98 57.3 Favored 'General case' 0 CA--C 1.542 0.637 0 C-N-CA 126.304 1.841 . . . . 0.0 113.482 -176.737 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 19.0 t -68.42 -28.99 67.57 Favored 'General case' 0 CA--C 1.544 0.733 0 C-N-CA 123.715 0.806 . . . . 0.0 113.001 176.466 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--O 1.255 1.349 0 C-N-CA 127.308 2.243 . . . . 0.0 112.423 177.131 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' B' B ' 1' ' ' PHE . . . . . . . . . . . . . 69.3 t80 . . . . . 0 N--CA 1.487 1.379 0 N-CA-C 110.717 -0.105 . . . . 0.0 110.717 . . . . . . . . . 0 0 . 1 . 025 nuclear orig core ' B' B ' 2' ' ' VAL . . . . . . . . . . . . . 84.0 t -132.95 124.67 50.68 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.977 0 C-N-CA 125.129 1.371 . . . . 0.0 108.472 170.346 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' B' B ' 3' ' ' ASN . . . . . . . . . . . . . 9.0 m120 -62.3 111.81 2.15 Favored 'General case' 0 CA--C 1.537 0.449 0 C-N-CA 124.234 1.013 . . . . 0.0 109.974 173.901 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' B' B ' 4' ' ' GLN . . . . . . . . . . . . . 11.9 pt20 -156.98 175.94 13.43 Favored 'General case' 0 CA--C 1.535 0.368 0 C-N-CA 123.577 0.751 . . . . 0.0 111.268 -170.863 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' B' B ' 5' ' ' HIS . . . . . . . . . . . . . 67.2 m-70 -81.49 127.72 33.12 Favored 'General case' 0 CA--C 1.546 0.791 0 C-N-CA 124.446 1.098 . . . . 0.0 109.915 168.91 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 93.6 mt -132.12 136.31 47.04 Favored 'General case' 0 N--CA 1.47 0.55 0 C-N-CA 125.231 1.412 . . . . 0.0 110.639 -175.599 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' B' B ' 7' ' ' CYS . . . . . . . . . . . . . 2.0 t -154.83 147.34 24.12 Favored 'General case' 0 N--CA 1.469 0.498 0 O-C-N 121.601 -0.687 . . . . 0.0 111.792 -179.672 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' B' B ' 8' ' ' GLY . . . . . . . . . . . . . . . 59.38 -128.42 47.1 Favored Glycine 0 CA--C 1.53 0.981 0 C-N-CA 123.917 0.77 . . . . 0.0 112.259 -179.582 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' B' B ' 9' ' ' SER . . . . . . . . . . . . . 20.3 m -53.57 -39.36 64.73 Favored 'General case' 0 N--CA 1.47 0.557 0 C-N-CA 124.568 1.147 . . . . 0.0 112.682 178.589 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' B' B ' 10' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -62.83 -37.42 86.71 Favored 'General case' 0 CA--C 1.543 0.699 0 O-C-N 121.247 -0.908 . . . . 0.0 112.562 177.899 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 15.3 tp -73.58 -43.15 60.48 Favored 'General case' 0 CA--C 1.535 0.394 0 C-N-CA 124.411 1.085 . . . . 0.0 110.967 177.842 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 75.1 t -59.79 -43.6 92.11 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.987 0 C-N-CA 124.03 0.932 . . . . 0.0 111.267 173.291 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 23.4 mt-10 -59.05 -45.54 90.51 Favored 'General case' 0 N--CA 1.466 0.333 0 C-N-CA 124.19 0.996 . . . . 0.0 112.188 173.633 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -61.12 -49.16 78.41 Favored 'General case' 0 CA--C 1.534 0.33 0 CA-C-N 119.0 0.818 . . . . 0.0 111.532 176.971 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 3.9 mm? -55.49 -39.6 70.63 Favored 'General case' 0 N--CA 1.47 0.567 0 CA-C-N 118.7 0.682 . . . . 0.0 112.028 176.667 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' B' B ' 16' ' ' TYR . . . . . . . . . . . . . 84.1 t80 -60.25 -45.11 94.4 Favored 'General case' 0 N--CA 1.466 0.372 0 CA-C-N 119.073 0.851 . . . . 0.0 112.216 172.374 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 96.3 mt -65.09 -50.45 66.06 Favored 'General case' 0 CA--C 1.539 0.551 0 CA-C-N 118.725 0.693 . . . . 0.0 111.925 179.321 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' B' B ' 18' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -76.64 -37.94 29.98 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.287 0 CA-C-N 118.701 0.682 . . . . 0.0 112.455 -174.308 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' B' B ' 19' ' ' CYS . . . . . . . . . . . . . 28.6 t -104.34 -39.19 6.55 Favored 'General case' 0 CA--C 1.538 0.508 0 N-CA-C 113.64 0.978 . . . . 0.0 113.64 -172.361 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.472 1.082 0 C-N-CA 124.317 0.96 . . . . 0.0 113.136 -173.735 . . . . . . . . 0 0 . 1 . 026 nuclear orig core ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 7.7 tp . . . . . 0 N--CA 1.485 1.322 0 N-CA-C 114.156 1.169 . . . . 0.0 114.156 . . . . . . . . . 0 0 . 1 . 026 nuclear orig core ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 60.5 t -61.66 -35.1 65.24 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.989 0 C-N-CA 123.759 0.824 . . . . 0.0 110.985 176.688 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 41.9 mt-10 -77.05 -8.41 57.4 Favored 'General case' 0 CA--C 1.545 0.752 0 C-N-CA 124.345 1.058 . . . . 0.0 112.486 176.226 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 13.0 tp60 -99.35 -40.17 8.04 Favored 'General case' 0 CA--C 1.539 0.526 0 C-N-CA 124.527 1.131 . . . . 0.0 111.93 176.066 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -119.49 -17.35 8.75 Favored 'General case' 0 N--CA 1.481 1.075 0 N-CA-C 117.327 2.343 . . . . 0.0 117.327 -172.679 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 35.0 t -89.44 -32.03 17.43 Favored 'General case' 0 N--CA 1.478 0.973 0 N-CA-C 113.72 1.008 . . . . 0.0 113.72 177.441 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 6.5 t -69.0 -40.35 78.8 Favored 'General case' 0 N--CA 1.481 1.081 0 C-N-CA 124.186 0.994 . . . . 0.0 111.951 175.331 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 9' ' ' SER . . . . . 0.439 ' HA ' ' CE1' ' B' ' 5' ' ' HIS . 5.7 t -166.44 -174.6 2.91 Favored 'General case' 0 CA--C 1.534 0.354 0 C-N-CA 127.768 2.427 . . . . 0.0 109.789 173.44 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 16.9 mt -71.84 136.79 24.98 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.461 0 C-N-CA 124.381 1.072 . . . . 0.0 112.971 -163.137 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 13.9 p -115.46 163.28 15.97 Favored 'General case' 0 CA--C 1.539 0.535 0 C-N-CA 124.562 1.145 . . . . 0.0 113.036 169.11 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 63.9 m -108.19 157.47 18.29 Favored 'General case' 0 N--CA 1.47 0.561 0 C-N-CA 125.04 1.336 . . . . 0.0 112.676 173.742 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . 0.404 ' H ' HD23 ' A' ' 13' ' ' LEU . 1.5 pt? -58.56 -38.74 78.5 Favored 'General case' 0 N--CA 1.463 0.221 0 C-N-CA 123.83 0.852 . . . . 0.0 112.657 -173.084 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 25.0 p90 -70.5 -11.84 61.18 Favored 'General case' 0 CA--C 1.536 0.437 0 C-N-CA 125.308 1.443 . . . . 0.0 114.314 -174.207 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 3.9 pt20 -120.63 -24.46 5.76 Favored 'General case' 0 CA--C 1.534 0.359 0 C-N-CA 124.322 1.049 . . . . 0.0 111.727 -177.116 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -73.73 -34.18 64.66 Favored 'General case' 0 CA--C 1.542 0.646 0 C-N-CA 124.252 1.021 . . . . 0.0 111.094 174.15 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -73.15 -16.74 61.44 Favored 'General case' 0 N--CA 1.469 0.5 0 N-CA-C 113.704 1.001 . . . . 0.0 113.704 -177.897 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -57.76 -26.35 61.74 Favored 'General case' 0 CA--C 1.544 0.746 0 C-N-CA 123.993 0.917 . . . . 0.0 112.07 168.602 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 88.7 m-85 -87.59 0.31 55.81 Favored 'General case' 0 CA--C 1.545 0.756 0 C-N-CA 125.229 1.411 . . . . 0.0 113.785 179.104 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 51.2 t -58.03 -43.25 86.67 Favored 'General case' 0 N--CA 1.47 0.556 0 C-N-CA 123.767 0.827 . . . . 0.0 113.005 -178.174 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 17.4 m120 . . . . . 0 C--O 1.253 1.28 0 C-N-CA 124.954 1.301 . . . . 0.0 112.421 -173.991 . . . . . . . . 0 0 . 1 . 026 nuclear orig core ' B' B ' 1' ' ' PHE . . . . . . . . . . . . . 74.3 t80 . . . . . 0 N--CA 1.487 1.382 0 CA-C-O 119.818 -0.134 . . . . 0.0 110.702 . . . . . . . . . 0 0 . 1 . 026 nuclear orig core ' B' B ' 2' ' ' VAL . . . . . . . . . . . . . 91.8 t -132.57 123.74 50.04 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.043 0 C-N-CA 124.957 1.303 . . . . 0.0 108.332 170.313 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' B' B ' 3' ' ' ASN . . . . . . . . . . . . . 5.1 m120 -67.73 111.44 4.26 Favored 'General case' 0 CA--C 1.543 0.676 0 C-N-CA 124.55 1.14 . . . . 0.0 109.316 175.911 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' B' B ' 4' ' ' GLN . . . . . . . . . . . . . 15.1 pt20 -157.27 179.79 8.93 Favored 'General case' 0 CA--C 1.537 0.451 0 C-N-CA 124.677 1.191 . . . . 0.0 111.751 -170.392 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' B' B ' 5' ' ' HIS . . . . . 0.439 ' CE1' ' HA ' ' A' ' 9' ' ' SER . 88.6 m-70 -80.63 127.36 32.38 Favored 'General case' 0 CA--C 1.541 0.631 0 C-N-CA 124.397 1.079 . . . . 0.0 110.673 171.885 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 94.6 mt -134.55 136.84 43.32 Favored 'General case' 0 N--CA 1.47 0.574 0 C-N-CA 124.273 1.029 . . . . 0.0 110.738 -176.307 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' B' B ' 7' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -155.35 147.39 23.53 Favored 'General case' 0 N--CA 1.468 0.45 0 C-N-CA 123.734 0.814 . . . . 0.0 111.492 -178.381 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' B' B ' 8' ' ' GLY . . . . . . . . . . . . . . . 57.39 -124.61 36.51 Favored Glycine 0 CA--C 1.529 0.947 0 C-N-CA 124.069 0.842 . . . . 0.0 113.042 177.639 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' B' B ' 9' ' ' SER . . . . . . . . . . . . . 8.9 t -55.85 -40.03 72.3 Favored 'General case' 0 CA--C 1.541 0.621 0 C-N-CA 123.775 0.83 . . . . 0.0 112.391 178.29 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' B' B ' 10' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -63.08 -33.15 74.83 Favored 'General case' 0 N--CA 1.473 0.709 0 O-C-N 120.798 -1.188 . . . . 0.0 112.805 177.074 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 14.3 tp -74.22 -43.56 56.63 Favored 'General case' 0 CA--C 1.538 0.493 0 C-N-CA 124.865 1.266 . . . . 0.0 110.847 178.047 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 86.9 t -61.2 -42.66 94.25 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.162 0 C-N-CA 124.111 0.965 . . . . 0.0 111.265 172.034 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 25.2 mt-10 -57.88 -47.43 82.78 Favored 'General case' 0 N--CA 1.465 0.277 0 C-N-CA 123.67 0.788 . . . . 0.0 111.654 172.628 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -59.74 -45.5 92.02 Favored 'General case' 0 CA--C 1.535 0.401 0 CA-C-N 119.39 0.995 . . . . 0.0 112.341 178.179 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 3.4 mm? -56.87 -38.07 72.23 Favored 'General case' 0 N--CA 1.468 0.47 0 CA-C-N 118.569 0.622 . . . . 0.0 112.169 174.63 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' B' B ' 16' ' ' TYR . . . . . . . . . . . . . 68.0 t80 -63.95 -43.49 95.65 Favored 'General case' 0 CA--C 1.538 0.5 0 CA-C-N 118.946 0.794 . . . . 0.0 111.901 172.991 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 97.4 mt -65.3 -43.55 90.73 Favored 'General case' 0 CA--C 1.533 0.31 0 CA-C-O 118.544 -0.741 . . . . 0.0 112.58 -179.782 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' B' B ' 18' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -78.21 -51.32 17.83 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.059 0 CA-C-N 118.967 0.803 . . . . 0.0 111.755 178.46 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' B' B ' 19' ' ' CYS . . . . . . . . . . . . . 34.2 t -98.25 -39.53 8.8 Favored 'General case' 0 CA--C 1.541 0.606 0 N-CA-C 113.487 0.921 . . . . 0.0 113.487 -166.898 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.474 1.231 0 C-N-CA 124.334 0.968 . . . . 0.0 114.235 -171.845 . . . . . . . . 0 0 . 1 . 027 nuclear orig core ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 7.1 tp . . . . . 0 N--CA 1.485 1.294 0 N-CA-C 113.967 1.099 . . . . 0.0 113.967 . . . . . . . . . 0 0 . 1 . 027 nuclear orig core ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 88.3 t -62.46 -35.41 69.72 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.994 0 C-N-CA 123.793 0.837 . . . . 0.0 111.214 176.531 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 41.3 mt-10 -78.41 -8.34 58.37 Favored 'General case' 0 CA--C 1.544 0.743 0 C-N-CA 124.297 1.039 . . . . 0.0 112.521 177.092 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 10.4 tp60 -97.34 -43.11 7.45 Favored 'General case' 0 CA--C 1.538 0.504 0 C-N-CA 124.4 1.08 . . . . 0.0 111.505 173.203 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 97.5 m -112.58 -24.64 9.56 Favored 'General case' 0 N--CA 1.475 0.813 0 N-CA-C 116.462 2.023 . . . . 0.0 116.462 -168.736 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 42.2 t -86.48 -36.32 19.11 Favored 'General case' 0 N--CA 1.48 1.044 0 CA-C-N 119.989 1.268 . . . . 0.0 113.588 -179.836 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 5.3 t -75.15 -27.33 59.68 Favored 'General case' 0 N--CA 1.478 0.961 0 C-N-CA 124.564 1.146 . . . . 0.0 113.336 179.765 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 98.6 p -166.58 168.69 14.37 Favored 'General case' 0 N--CA 1.468 0.429 0 C-N-CA 126.784 2.033 . . . . 0.0 110.638 -174.137 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 14.2 mt -73.79 126.04 33.88 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.513 0 O-C-N 121.44 -0.787 . . . . 0.0 111.391 -172.45 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 29.2 p -104.65 154.03 20.47 Favored 'General case' 0 CA--C 1.535 0.375 0 C-N-CA 124.825 1.25 . . . . 0.0 112.05 172.78 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 70.4 m -93.06 153.46 18.68 Favored 'General case' 0 N--CA 1.469 0.521 0 C-N-CA 123.567 0.747 . . . . 0.0 111.913 171.769 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . 0.405 ' H ' HD21 ' A' ' 13' ' ' LEU . 1.4 pt? -57.95 -42.81 85.73 Favored 'General case' 0 N--CA 1.463 0.224 0 C-N-CA 123.864 0.866 . . . . 0.0 112.106 -176.28 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 21.4 p90 -68.31 -15.32 63.52 Favored 'General case' 0 CA--C 1.536 0.441 0 C-N-CA 124.735 1.214 . . . . 0.0 114.204 -172.962 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 3.9 pt20 -109.72 -24.48 10.88 Favored 'General case' 0 N--CA 1.464 0.255 0 C-N-CA 124.051 0.94 . . . . 0.0 110.716 -179.613 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -76.44 -31.06 57.63 Favored 'General case' 0 CA--C 1.548 0.887 0 CA-C-N 118.992 0.815 . . . . 0.0 111.531 174.197 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 31.8 mt-10 -51.35 -37.58 48.65 Favored 'General case' 0 N--CA 1.481 1.124 0 C-N-CA 124.642 1.177 . . . . 0.0 111.833 171.429 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 6.6 m-80 -63.85 -15.24 58.43 Favored 'General case' 0 CA--C 1.547 0.861 0 C-N-CA 124.246 1.018 . . . . 0.0 113.582 -175.395 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 81.7 m-85 -88.53 -8.89 54.05 Favored 'General case' 0 CA--C 1.542 0.653 0 C-N-CA 125.037 1.335 . . . . 0.0 113.46 175.697 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 10.7 t -75.67 -25.41 56.75 Favored 'General case' 0 CA--C 1.545 0.779 0 C-N-CA 123.871 0.869 . . . . 0.0 112.856 174.758 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 35.5 m120 . . . . . 0 C--O 1.254 1.309 0 C-N-CA 125.817 1.647 . . . . 0.0 113.016 178.81 . . . . . . . . 0 0 . 1 . 027 nuclear orig core ' B' B ' 1' ' ' PHE . . . . . . . . . . . . . 50.1 t80 . . . . . 0 N--CA 1.487 1.408 0 CA-C-O 119.619 -0.229 . . . . 0.0 110.699 . . . . . . . . . 0 0 . 1 . 027 nuclear orig core ' B' B ' 2' ' ' VAL . . . . . . . . . . . . . 92.1 t -128.8 118.97 48.53 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.991 0 C-N-CA 124.892 1.277 . . . . 0.0 108.911 173.422 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' B' B ' 3' ' ' ASN . . . . . . . . . . . . . 68.5 m-20 -68.52 121.14 15.74 Favored 'General case' 0 CA--C 1.537 0.449 0 CA-C-O 121.213 0.53 . . . . 0.0 110.373 164.614 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' B' B ' 4' ' ' GLN . . . . . . . . . . . . . 10.3 pt20 -161.33 -175.85 5.06 Favored 'General case' 0 C--N 1.329 -0.287 0 C-N-CA 125.805 1.642 . . . . 0.0 109.793 -178.815 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' B' B ' 5' ' ' HIS . . . . . . . . . . . . . 79.7 m-70 -77.49 133.03 38.67 Favored 'General case' 0 CA--C 1.541 0.612 0 C-N-CA 123.689 0.795 . . . . 0.0 109.661 169.154 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 93.2 mt -137.8 120.63 16.42 Favored 'General case' 0 N--CA 1.466 0.34 0 C-N-CA 124.871 1.268 . . . . 0.0 110.29 -173.836 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' B' B ' 7' ' ' CYS . . . . . . . . . . . . . 57.8 m -136.24 140.98 43.89 Favored 'General case' 0 CA--C 1.537 0.473 0 C-N-CA 124.937 1.295 . . . . 0.0 110.109 -177.811 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' B' B ' 8' ' ' GLY . . . . . . . . . . . . . . . 57.4 -122.55 29.58 Favored Glycine 0 N--CA 1.472 1.064 0 C-N-CA 123.852 0.739 . . . . 0.0 113.137 172.972 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' B' B ' 9' ' ' SER . . . . . . . . . . . . . 8.8 t -55.81 -39.4 71.29 Favored 'General case' 0 CA--C 1.542 0.65 0 C-N-CA 123.906 0.882 . . . . 0.0 112.485 179.166 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' B' B ' 10' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -63.15 -37.26 86.51 Favored 'General case' 0 N--CA 1.473 0.688 0 O-C-N 120.778 -1.201 . . . . 0.0 112.326 176.214 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 19.7 tp -72.3 -42.53 65.39 Favored 'General case' 0 CA--C 1.536 0.42 0 C-N-CA 124.403 1.081 . . . . 0.0 111.144 178.153 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 69.2 t -59.78 -43.39 91.62 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.961 0 C-N-CA 124.016 0.926 . . . . 0.0 111.142 171.827 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 21.3 mt-10 -58.75 -45.23 90.2 Favored 'General case' 0 N--CA 1.467 0.402 0 C-N-CA 123.75 0.82 . . . . 0.0 112.343 173.534 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -61.02 -49.41 77.53 Favored 'General case' 0 N--CA 1.453 -0.295 0 CA-C-N 119.242 0.928 . . . . 0.0 111.492 176.588 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 3.9 mm? -55.13 -38.22 67.91 Favored 'General case' 0 N--CA 1.47 0.575 0 CA-C-N 119.009 0.822 . . . . 0.0 112.235 176.999 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' B' B ' 16' ' ' TYR . . . . . . . . . . . . . 52.5 t80 -61.72 -42.3 98.77 Favored 'General case' 0 CA--C 1.537 0.469 0 CA-C-N 119.208 0.913 . . . . 0.0 112.462 172.542 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 95.3 mt -70.33 -47.99 58.53 Favored 'General case' 0 CA--C 1.537 0.449 0 O-C-N 121.742 -0.599 . . . . 0.0 112.229 179.428 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' B' B ' 18' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -78.43 -38.07 22.27 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.221 0 CA-C-N 118.867 0.758 . . . . 0.0 112.587 -175.725 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' B' B ' 19' ' ' CYS . . . . . . . . . . . . . 25.9 t -106.18 -46.68 4.01 Favored 'General case' 0 CA--C 1.536 0.431 0 N-CA-C 112.532 0.568 . . . . 0.0 112.532 -174.465 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.47 0.923 0 C-N-CA 123.874 0.749 . . . . 0.0 112.549 -171.802 . . . . . . . . 0 0 . 1 . 028 nuclear orig core ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 8.6 tp . . . . . 0 N--CA 1.481 1.123 0 N-CA-C 113.143 0.794 . . . . 0.0 113.143 . . . . . . . . . 0 0 . 1 . 028 nuclear orig core ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 98.3 t -64.44 -34.95 72.83 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.906 0 C-N-CA 124.002 0.921 . . . . 0.0 110.9 179.288 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 38.2 mt-10 -77.41 -5.26 49.11 Favored 'General case' 0 CA--C 1.542 0.665 0 C-N-CA 124.1 0.96 . . . . 0.0 112.808 178.631 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 9.7 mt-30 -102.1 -53.29 2.96 Favored 'General case' 0 CA--C 1.536 0.41 0 CA-C-N 118.932 0.787 . . . . 0.0 111.215 166.641 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 92.3 m -87.5 -33.68 18.9 Favored 'General case' 0 N--CA 1.469 0.51 0 N-CA-C 115.468 1.655 . . . . 0.0 115.468 -168.367 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 14.1 t -78.4 -25.82 46.26 Favored 'General case' 0 N--CA 1.477 0.896 0 O-C-N 121.241 -0.912 . . . . 0.0 113.322 -179.865 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 5.4 t -89.58 -28.52 19.51 Favored 'General case' 0 N--CA 1.474 0.751 0 C-N-CA 125.024 1.33 . . . . 0.0 113.411 -179.192 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 16.9 m -158.01 174.47 15.18 Favored 'General case' 0 N--CA 1.474 0.774 0 C-N-CA 125.163 1.385 . . . . 0.0 112.535 -169.642 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 24.7 mm -59.55 124.97 14.85 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.864 0 O-C-N 121.158 -0.964 . . . . 0.0 109.094 168.533 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 21.8 p -114.08 147.57 38.53 Favored 'General case' 0 N--CA 1.47 0.56 0 C-N-CA 123.338 0.655 . . . . 0.0 111.946 170.276 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 38.0 m -97.69 152.09 19.46 Favored 'General case' 0 N--CA 1.471 0.586 0 C-N-CA 124.05 0.94 . . . . 0.0 112.556 -178.656 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . 0.422 ' H ' HD21 ' A' ' 13' ' ' LEU . 1.4 pt? -56.31 -43.83 79.34 Favored 'General case' 0 N--CA 1.464 0.26 0 C-N-CA 123.758 0.823 . . . . 0.0 111.817 -175.075 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 21.7 p90 -65.44 -16.66 63.86 Favored 'General case' 0 CA--C 1.538 0.509 0 N-CA-C 114.611 1.337 . . . . 0.0 114.611 -175.013 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 3.9 pt20 -111.42 -29.78 7.65 Favored 'General case' 0 N--CA 1.467 0.413 0 C-N-CA 123.99 0.916 . . . . 0.0 110.41 -177.747 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -69.86 -37.11 76.0 Favored 'General case' 0 CA--C 1.55 0.977 0 C-N-CA 124.001 0.92 . . . . 0.0 110.795 171.765 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 13.2 mt-10 -50.79 -37.89 45.06 Favored 'General case' 0 N--CA 1.479 1.002 0 C-N-CA 126.861 2.065 . . . . 0.0 112.353 173.859 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 3.9 m-80 -62.35 -19.7 63.63 Favored 'General case' 0 CA--C 1.544 0.733 0 C-N-CA 123.88 0.872 . . . . 0.0 112.968 -175.41 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 95.9 m-85 -89.31 -3.16 58.6 Favored 'General case' 0 CA--C 1.542 0.648 0 C-N-CA 125.039 1.336 . . . . 0.0 113.974 177.94 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 28.9 t -69.23 -27.07 65.14 Favored 'General case' 0 CA--C 1.546 0.793 0 O-C-N 121.471 -0.768 . . . . 0.0 112.781 171.067 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 C--O 1.254 1.31 0 C-N-CA 126.025 1.73 . . . . 0.0 112.045 177.016 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' B' B ' 1' ' ' PHE . . . . . . . . . . . . . 69.0 t80 . . . . . 0 N--CA 1.487 1.389 0 CA-C-O 119.644 -0.217 . . . . 0.0 110.8 . . . . . . . . . 0 0 . 1 . 028 nuclear orig core ' B' B ' 2' ' ' VAL . . . . . . . . . . . . . 91.6 t -130.44 119.59 46.47 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.02 0 C-N-CA 125.062 1.345 . . . . 0.0 108.838 173.617 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' B' B ' 3' ' ' ASN . . . . . . . . . . . . . 69.5 m-20 -60.65 122.06 13.77 Favored 'General case' 0 CA--C 1.535 0.367 0 C-N-CA 123.228 0.611 . . . . 0.0 110.18 170.079 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' B' B ' 4' ' ' GLN . . . . . . . . . . . . . 9.8 pt20 -159.38 179.04 9.3 Favored 'General case' 0 CA--C 1.534 0.348 0 C-N-CA 123.356 0.662 . . . . 0.0 111.296 -171.853 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' B' B ' 5' ' ' HIS . . . . . . . . . . . . . 77.0 m-70 -81.22 128.28 33.61 Favored 'General case' 0 CA--C 1.544 0.725 0 C-N-CA 124.157 0.983 . . . . 0.0 110.105 170.162 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 58.7 mt -139.73 134.64 32.17 Favored 'General case' 0 N--CA 1.471 0.625 0 C-N-CA 124.718 1.207 . . . . 0.0 110.78 -172.902 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' B' B ' 7' ' ' CYS . . . . . . . . . . . . . 1.8 t -157.73 145.68 18.82 Favored 'General case' 0 N--CA 1.469 0.479 0 C-N-CA 123.529 0.732 . . . . 0.0 111.59 -179.521 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' B' B ' 8' ' ' GLY . . . . . . . . . . . . . . . 60.07 -126.47 41.67 Favored Glycine 0 CA--C 1.53 1.009 0 C-N-CA 123.987 0.803 . . . . 0.0 112.327 -179.06 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' B' B ' 9' ' ' SER . . . . . . . . . . . . . 17.5 m -54.05 -39.55 66.32 Favored 'General case' 0 N--CA 1.471 0.591 0 C-N-CA 124.472 1.109 . . . . 0.0 112.652 177.984 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' B' B ' 10' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -63.12 -34.42 77.57 Favored 'General case' 0 N--CA 1.471 0.617 0 O-C-N 121.205 -0.934 . . . . 0.0 112.589 176.927 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 14.5 tp -74.18 -41.82 60.86 Favored 'General case' 0 CA--C 1.538 0.497 0 C-N-CA 124.272 1.029 . . . . 0.0 111.074 178.234 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 91.3 t -60.66 -41.63 88.87 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.139 0 C-N-CA 124.363 1.065 . . . . 0.0 111.375 171.18 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 25.4 mt-10 -59.33 -50.94 72.05 Favored 'General case' 0 CA--C 1.53 0.21 0 C-N-CA 123.507 0.723 . . . . 0.0 111.354 171.145 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -58.75 -46.14 88.11 Favored 'General case' 0 CA--C 1.532 0.287 0 CA-C-N 120.004 1.274 . . . . 0.0 112.691 179.713 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 3.8 mm? -56.55 -34.23 66.89 Favored 'General case' 0 N--CA 1.473 0.681 0 CA-C-N 118.919 0.781 . . . . 0.0 112.009 176.235 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' B' B ' 16' ' ' TYR . . . . . . . . . . . . . 87.8 t80 -66.24 -45.49 80.47 Favored 'General case' 0 CA--C 1.536 0.442 0 O-C-N 121.541 -0.724 . . . . 0.0 112.226 169.292 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 84.2 mt -63.48 -45.88 88.73 Favored 'General case' 0 N--CA 1.469 0.477 0 CA-C-N 119.122 0.874 . . . . 0.0 112.657 -179.143 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' B' B ' 18' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -71.39 -46.02 66.44 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.019 0 CA-C-O 119.004 -0.522 . . . . 0.0 112.189 177.535 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' B' B ' 19' ' ' CYS . . . . . . . . . . . . . 9.2 t -123.33 -30.89 3.62 Favored 'General case' 0 N--CA 1.474 0.733 0 N-CA-C 115.824 1.787 . . . . 0.0 115.824 -164.729 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.475 1.281 0 CA-C-N 119.162 0.892 . . . . 0.0 113.601 -173.205 . . . . . . . . 0 0 . 1 . 029 nuclear orig core ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 9.0 tp . . . . . 0 N--CA 1.479 0.993 0 N-CA-C 113.589 0.959 . . . . 0.0 113.589 . . . . . . . . . 0 0 . 1 . 029 nuclear orig core ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 93.7 t -72.06 -41.45 67.82 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.056 0 C-N-CA 123.628 0.771 . . . . 0.0 109.977 -177.951 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 1.1 pm0 -78.2 12.3 1.94 Allowed 'General case' 0 CA--C 1.547 0.861 0 C-N-CA 125.05 1.34 . . . . 0.0 113.557 173.755 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 20.9 mm-40 -109.62 -61.42 1.64 Allowed 'General case' 0 CA--C 1.537 0.47 0 O-C-N 120.646 -1.284 . . . . 0.0 110.94 152.313 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 98.5 m -75.92 -36.73 59.3 Favored 'General case' 0 CA--C 1.537 0.449 0 N-CA-C 115.469 1.655 . . . . 0.0 115.469 -167.951 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 14.1 t -77.25 -29.4 53.97 Favored 'General case' 0 N--CA 1.474 0.767 0 O-C-N 121.088 -1.008 . . . . 0.0 113.025 -179.715 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 12.5 t -88.12 -32.77 18.51 Favored 'General case' 0 N--CA 1.474 0.735 0 C-N-CA 124.845 1.258 . . . . 0.0 112.932 179.958 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 3.5 t -149.91 -175.64 5.12 Favored 'General case' 0 CA--C 1.542 0.638 0 N-CA-C 113.512 0.93 . . . . 0.0 113.512 -177.083 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 36.4 mm -60.52 129.79 23.55 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.417 0 C-N-CA 123.833 0.853 . . . . 0.0 109.662 169.867 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 17.6 p -124.49 148.86 47.43 Favored 'General case' 0 CA--C 1.537 0.452 0 CA-C-O 121.643 0.735 . . . . 0.0 112.137 167.626 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 50.9 m -108.05 157.12 18.53 Favored 'General case' 0 N--CA 1.469 0.502 0 C-N-CA 124.821 1.248 . . . . 0.0 112.542 -179.89 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . 0.424 HD22 ' H ' ' A' ' 13' ' ' LEU . 1.3 pt? -54.58 -44.85 73.35 Favored 'General case' 0 N--CA 1.463 0.215 0 C-N-CA 124.437 1.095 . . . . 0.0 111.863 -174.986 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 27.3 p90 -64.8 -16.93 63.73 Favored 'General case' 0 CA--C 1.538 0.499 0 N-CA-C 114.48 1.289 . . . . 0.0 114.48 -173.135 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 3.5 pt20 -115.28 -26.53 7.58 Favored 'General case' 0 CA--C 1.533 0.3 0 C-N-CA 124.352 1.061 . . . . 0.0 110.803 -176.291 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -72.92 -36.48 67.26 Favored 'General case' 0 CA--C 1.552 1.02 0 C-N-CA 124.167 0.987 . . . . 0.0 110.895 171.429 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 13.3 mt-10 -50.71 -38.48 47.38 Favored 'General case' 0 N--CA 1.481 1.121 0 C-N-CA 126.949 2.099 . . . . 0.0 112.035 174.735 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 3.2 m-80 -60.22 -21.03 61.29 Favored 'General case' 0 CA--C 1.543 0.676 0 C-N-CA 124.643 1.177 . . . . 0.0 113.152 -176.093 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 96.4 m-85 -90.99 -5.62 55.13 Favored 'General case' 0 CA--C 1.54 0.589 0 C-N-CA 125.092 1.357 . . . . 0.0 114.268 179.995 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 17.1 t -71.65 -26.01 62.37 Favored 'General case' 0 CA--C 1.546 0.813 0 O-C-N 121.478 -0.763 . . . . 0.0 112.779 172.071 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 C--O 1.253 1.278 0 C-N-CA 126.203 1.801 . . . . 0.0 112.083 177.311 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' B' B ' 1' ' ' PHE . . . . . . . . . . . . . 39.6 t80 . . . . . 0 N--CA 1.487 1.393 0 CA-C-O 119.445 -0.312 . . . . 0.0 110.573 . . . . . . . . . 0 0 . 1 . 029 nuclear orig core ' B' B ' 2' ' ' VAL . . . . . . . . . . . . . 59.8 t -120.93 126.07 74.78 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.09 0 C-N-CA 124.97 1.308 . . . . 0.0 108.928 176.09 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' B' B ' 3' ' ' ASN . . . . . . . . . . . . . 71.4 m-20 -80.79 114.08 19.43 Favored 'General case' 0 CA--C 1.538 0.486 0 N-CA-C 109.351 -0.611 . . . . 0.0 109.351 172.897 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' B' B ' 4' ' ' GLN . . . . . . . . . . . . . 7.8 pt20 -157.78 -179.45 8.16 Favored 'General case' 0 CA--C 1.537 0.446 0 C-N-CA 123.915 0.886 . . . . 0.0 111.327 -171.129 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' B' B ' 5' ' ' HIS . . . . . . . . . . . . . 67.2 m-70 -76.41 137.1 39.54 Favored 'General case' 0 CA--C 1.544 0.733 0 C-N-CA 124.434 1.094 . . . . 0.0 110.124 166.208 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 72.3 mt -146.13 132.72 19.83 Favored 'General case' 0 N--CA 1.473 0.677 0 C-N-CA 125.586 1.554 . . . . 0.0 110.246 -175.837 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' B' B ' 7' ' ' CYS . . . . . . . . . . . . . 3.3 t -156.08 146.14 21.39 Favored 'General case' 0 N--CA 1.469 0.509 0 C-N-CA 123.402 0.681 . . . . 0.0 111.74 -178.385 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' B' B ' 8' ' ' GLY . . . . . . . . . . . . . . . 60.66 -126.36 40.82 Favored Glycine 0 CA--C 1.529 0.953 0 C-N-CA 123.874 0.749 . . . . 0.0 112.485 179.77 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' B' B ' 9' ' ' SER . . . . . . . . . . . . . 8.8 t -56.01 -38.68 70.82 Favored 'General case' 0 N--CA 1.473 0.683 0 C-N-CA 123.67 0.788 . . . . 0.0 112.421 178.105 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' B' B ' 10' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -62.78 -34.86 78.13 Favored 'General case' 0 N--CA 1.474 0.758 0 O-C-N 120.842 -1.162 . . . . 0.0 112.776 175.329 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 15.0 tp -73.23 -42.93 62.02 Favored 'General case' 0 CA--C 1.536 0.43 0 C-N-CA 124.096 0.958 . . . . 0.0 111.083 177.405 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 92.9 t -60.03 -42.38 89.51 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.053 0 C-N-CA 124.18 0.992 . . . . 0.0 111.117 172.185 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 21.3 mt-10 -58.5 -48.74 79.81 Favored 'General case' 0 CA--C 1.531 0.221 0 C-N-CA 123.479 0.711 . . . . 0.0 111.694 171.918 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -59.1 -47.01 86.82 Favored 'General case' 0 CA--C 1.532 0.275 0 CA-C-N 119.881 1.219 . . . . 0.0 112.616 178.114 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 3.9 mm? -56.73 -35.73 68.9 Favored 'General case' 0 N--CA 1.472 0.658 0 CA-C-N 118.87 0.759 . . . . 0.0 112.105 176.15 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' B' B ' 16' ' ' TYR . . . . . . . . . . . . . 84.3 t80 -63.06 -45.74 90.79 Favored 'General case' 0 CA--C 1.535 0.396 0 CA-C-N 118.842 0.747 . . . . 0.0 112.028 169.975 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 86.7 mt -62.71 -52.66 62.39 Favored 'General case' 0 CA--C 1.537 0.472 0 CA-C-N 119.244 0.929 . . . . 0.0 111.882 179.436 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' B' B ' 18' ' ' VAL . . . . . . . . . . . . . 0.1 OUTLIER -69.44 -43.85 80.48 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.968 0 N-CA-C 112.657 0.614 . . . . 0.0 112.657 -177.178 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' B' B ' 19' ' ' CYS . . . . . . . . . . . . . 7.9 t -115.35 -20.08 10.45 Favored 'General case' 0 N--CA 1.474 0.726 0 N-CA-C 115.209 1.559 . . . . 0.0 115.209 -165.688 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.475 1.272 0 C-N-CA 124.485 1.04 . . . . 0.0 113.133 179.109 . . . . . . . . 0 0 . 1 . 030 nuclear orig core ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 4.9 tp . . . . . 0 N--CA 1.486 1.331 0 CA-C-O 120.357 0.122 . . . . 0.0 111.035 . . . . . . . . . 0 0 . 1 . 030 nuclear orig core ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 96.4 t -64.14 -41.9 93.89 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.043 0 C-N-CA 124.836 1.254 . . . . 0.0 110.669 -177.462 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 1.3 pm0 -72.36 9.06 1.12 Allowed 'General case' 0 CA--C 1.545 0.76 0 C-N-CA 125.018 1.327 . . . . 0.0 113.557 175.813 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 24.6 mm-40 -121.86 -54.21 1.94 Allowed 'General case' 0 CA--C 1.537 0.455 0 C-N-CA 124.814 1.245 . . . . 0.0 110.709 169.25 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 2.2 t -90.58 -23.64 20.79 Favored 'General case' 0 N--CA 1.473 0.712 0 N-CA-C 115.255 1.576 . . . . 0.0 115.255 -172.267 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 13.6 t -75.05 -27.45 60.0 Favored 'General case' 0 N--CA 1.479 0.987 0 O-C-N 120.572 -1.33 . . . . 0.0 112.719 170.18 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 11.2 t -94.06 -32.26 13.87 Favored 'General case' 0 N--CA 1.475 0.814 0 C-N-CA 125.155 1.382 . . . . 0.0 112.995 179.84 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 4.5 t -144.38 -173.4 4.02 Favored 'General case' 0 CA--C 1.543 0.694 0 C-N-CA 124.418 1.087 . . . . 0.0 113.15 -179.377 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 31.0 mm -66.65 136.12 27.28 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.542 0 O-C-N 120.736 -1.228 . . . . 0.0 110.578 174.791 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 16.2 p -123.56 159.1 29.91 Favored 'General case' 0 N--CA 1.471 0.598 0 CA-C-O 121.913 0.864 . . . . 0.0 112.399 157.181 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 32.3 m -130.29 150.82 51.36 Favored 'General case' 0 N--CA 1.466 0.333 0 C-N-CA 125.556 1.542 . . . . 0.0 110.214 -173.221 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 1.6 pt? -54.94 -40.03 69.52 Favored 'General case' 0 N--CA 1.463 0.191 0 C-N-CA 123.727 0.811 . . . . 0.0 112.287 -170.234 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 29.3 p90 -68.55 -13.78 62.56 Favored 'General case' 0 CA--C 1.534 0.332 0 C-N-CA 124.855 1.262 . . . . 0.0 114.262 -174.351 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 9.4 pt20 -122.04 -26.43 4.76 Favored 'General case' 0 C--O 1.222 -0.38 0 C-N-CA 123.887 0.875 . . . . 0.0 111.48 179.931 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -76.27 -27.54 56.71 Favored 'General case' 0 CA--C 1.545 0.764 0 CA-C-N 119.977 1.262 . . . . 0.0 112.003 179.033 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 17.1 mt-10 -51.04 -33.78 26.81 Favored 'General case' 0 N--CA 1.48 1.046 0 C-N-CA 123.853 0.861 . . . . 0.0 111.881 169.627 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 50.8 m-20 -60.87 -24.34 65.85 Favored 'General case' 0 CA--C 1.543 0.71 0 C-N-CA 124.887 1.275 . . . . 0.0 112.882 -175.05 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 63.0 m-85 -87.92 -7.56 56.98 Favored 'General case' 0 CA--C 1.543 0.679 0 C-N-CA 126.213 1.805 . . . . 0.0 113.42 -177.418 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 35.7 t -68.42 -29.82 68.58 Favored 'General case' 0 CA--C 1.544 0.736 0 N-CA-C 113.34 0.867 . . . . 0.0 113.34 179.583 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 C--O 1.253 1.289 0 C-N-CA 125.949 1.7 . . . . 0.0 111.21 -177.493 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' B' B ' 1' ' ' PHE . . . . . . . . . . . . . 36.1 t80 . . . . . 0 N--CA 1.487 1.416 0 CA-C-O 119.606 -0.235 . . . . 0.0 110.669 . . . . . . . . . 0 0 . 1 . 030 nuclear orig core ' B' B ' 2' ' ' VAL . . . . . . . . . . . . . 65.5 t -126.99 127.96 70.22 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.046 0 C-N-CA 124.947 1.299 . . . . 0.0 108.946 175.469 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' B' B ' 3' ' ' ASN . . . . . . . . . . . . . 69.8 m-20 -81.37 115.98 20.98 Favored 'General case' 0 CA--C 1.539 0.547 0 N-CA-C 109.39 -0.596 . . . . 0.0 109.39 173.058 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' B' B ' 4' ' ' GLN . . . . . . . . . . . . . 8.5 pt20 -160.86 -178.87 7.12 Favored 'General case' 0 CA--C 1.537 0.463 0 C-N-CA 123.75 0.82 . . . . 0.0 111.442 -170.216 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' B' B ' 5' ' ' HIS . . . . . . . . . . . . . 60.3 m-70 -77.44 138.08 39.05 Favored 'General case' 0 CA--C 1.545 0.788 0 C-N-CA 124.599 1.16 . . . . 0.0 109.761 165.929 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 79.9 mt -145.12 139.57 27.4 Favored 'General case' 0 N--CA 1.473 0.684 0 C-N-CA 125.304 1.442 . . . . 0.0 110.547 -176.883 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' B' B ' 7' ' ' CYS . . . . . . . . . . . . . 2.8 t -155.51 147.41 23.33 Favored 'General case' 0 N--CA 1.468 0.444 0 O-C-N 121.656 -0.653 . . . . 0.0 111.925 -179.01 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' B' B ' 8' ' ' GLY . . . . . . . . . . . . . . . 60.18 -129.13 47.3 Favored Glycine 0 N--CA 1.47 0.941 0 C-N-CA 123.956 0.789 . . . . 0.0 112.373 179.94 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' B' B ' 9' ' ' SER . . . . . . . . . . . . . 16.3 m -53.61 -39.71 65.13 Favored 'General case' 0 N--CA 1.469 0.514 0 C-N-CA 124.5 1.12 . . . . 0.0 112.66 178.33 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' B' B ' 10' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -62.68 -36.96 84.58 Favored 'General case' 0 CA--C 1.543 0.701 0 O-C-N 121.255 -0.903 . . . . 0.0 112.625 178.004 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 16.1 tp -73.49 -43.8 59.34 Favored 'General case' 0 CA--C 1.536 0.429 0 C-N-CA 124.644 1.178 . . . . 0.0 110.97 177.889 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 77.8 t -60.23 -43.1 92.59 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.015 0 C-N-CA 123.874 0.87 . . . . 0.0 111.134 173.594 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 22.5 mt-10 -59.19 -44.74 92.2 Favored 'General case' 0 N--CA 1.467 0.395 0 C-N-CA 124.43 1.092 . . . . 0.0 112.15 174.006 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -61.33 -51.06 70.43 Favored 'General case' 0 N--CA 1.453 -0.3 0 CA-C-O 118.384 -0.817 . . . . 0.0 111.243 176.479 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 4.0 mm? -54.26 -39.37 66.8 Favored 'General case' 0 N--CA 1.472 0.634 0 CA-C-N 119.18 0.9 . . . . 0.0 112.171 177.832 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' B' B ' 16' ' ' TYR . . . . . . . . . . . . . 63.5 t80 -60.45 -45.74 92.57 Favored 'General case' 0 N--CA 1.467 0.387 0 CA-C-N 118.816 0.735 . . . . 0.0 112.152 172.666 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 96.1 mt -65.66 -51.85 56.27 Favored 'General case' 0 CA--C 1.536 0.432 0 CA-C-N 118.675 0.67 . . . . 0.0 111.74 177.984 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' B' B ' 18' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -75.55 -30.27 21.78 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.162 0 CA-C-O 118.232 -0.89 . . . . 0.0 113.163 -172.254 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' B' B ' 19' ' ' CYS . . . . . . . . . . . . . 21.3 t -113.33 -36.31 5.04 Favored 'General case' 0 CA--C 1.538 0.499 0 N-CA-C 114.33 1.234 . . . . 0.0 114.33 -174.409 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.981 0 C-N-CA 124.045 0.831 . . . . 0.0 112.896 -176.454 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.478 1.457 0 N-CA-C 111.872 -0.491 . . . . 0.0 111.872 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 8.4 tp -64.74 -36.79 78.48 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.087 0 C-N-CA 124.285 1.034 . . . . 0.0 113.576 -173.784 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 93.5 t -64.03 -41.92 94.04 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.929 0 O-C-N 121.457 -0.777 . . . . 0.0 110.187 177.668 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 42.4 mp0 -73.04 -6.46 45.72 Favored 'General case' 0 CA--C 1.547 0.828 0 C-N-CA 124.003 0.921 . . . . 0.0 113.06 176.076 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 40.3 tp60 -98.78 -40.93 7.9 Favored 'General case' 0 CA--C 1.54 0.577 0 C-N-CA 124.44 1.096 . . . . 0.0 111.807 174.017 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 89.4 m -107.52 -30.49 8.6 Favored 'General case' 0 N--CA 1.475 0.799 0 N-CA-C 115.933 1.827 . . . . 0.0 115.933 -171.872 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 23.7 t -78.82 -33.83 45.77 Favored 'General case' 0 N--CA 1.479 0.999 0 O-C-N 120.954 -1.091 . . . . 0.0 113.661 -177.089 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 6.4 t -82.71 -30.25 29.25 Favored 'General case' 0 N--CA 1.477 0.911 0 C-N-CA 125.285 1.434 . . . . 0.0 113.246 -177.828 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 93.1 p -164.24 170.45 16.24 Favored 'General case' 0 CA--C 1.536 0.436 0 C-N-CA 126.69 1.996 . . . . 0.0 110.536 -172.544 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 9.8 mt -71.23 130.69 35.02 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.455 0 O-C-N 121.412 -0.805 . . . . 0.0 112.367 -170.291 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 18.8 p -115.69 166.36 12.02 Favored 'General case' 0 CA--C 1.541 0.609 0 C-N-CA 125.098 1.359 . . . . 0.0 111.619 171.228 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 50.7 m -131.43 155.35 47.49 Favored 'General case' 0 N--CA 1.467 0.391 0 C-N-CA 124.912 1.285 . . . . 0.0 111.261 -173.571 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . 0.414 ' H ' HD21 ' A' ' 13' ' ' LEU . 1.4 pt? -53.93 -42.86 69.26 Favored 'General case' 0 N--CA 1.464 0.248 0 C-N-CA 124.261 1.024 . . . . 0.0 111.929 -172.899 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 27.6 p90 -67.08 -13.87 62.35 Favored 'General case' 0 CA--C 1.536 0.43 0 N-CA-C 114.569 1.322 . . . . 0.0 114.569 -173.874 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 5.1 pt20 -118.36 -31.83 4.83 Favored 'General case' 0 C--O 1.223 -0.315 0 C-N-CA 123.956 0.902 . . . . 0.0 110.848 -178.641 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -70.06 -32.41 70.5 Favored 'General case' 0 CA--C 1.549 0.939 0 CA-C-N 119.21 0.913 . . . . 0.0 111.175 176.854 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 13.8 mt-10 -46.37 -36.98 6.94 Favored 'General case' 0 N--CA 1.479 0.977 0 C-N-CA 126.237 1.815 . . . . 0.0 112.548 169.782 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 80.9 m-20 -62.4 -24.52 67.44 Favored 'General case' 0 CA--C 1.541 0.628 0 C-N-CA 124.795 1.238 . . . . 0.0 112.89 -173.893 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 85.4 m-85 -88.18 -1.15 57.84 Favored 'General case' 0 CA--C 1.544 0.722 0 C-N-CA 126.164 1.786 . . . . 0.0 113.777 -176.134 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 6.6 t -76.06 -3.93 38.6 Favored 'General case' 0 CA--C 1.551 1.004 0 C-N-CA 124.148 0.979 . . . . 0.0 113.596 173.506 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 5.6 p-10 . . . . . 0 C--O 1.253 1.274 0 C-N-CA 126.48 1.912 . . . . 0.0 114.457 179.467 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' B' B ' 1' ' ' PHE . . . . . . . . . . . . . 38.7 t80 . . . . . 0 N--CA 1.487 1.399 0 CA-C-O 119.577 -0.249 . . . . 0.0 110.715 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' B' B ' 2' ' ' VAL . . . . . . . . . . . . . 61.5 t -128.46 127.94 67.61 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.05 0 C-N-CA 124.963 1.305 . . . . 0.0 108.962 174.983 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 3' ' ' ASN . . . . . . . . . . . . . 72.9 m-20 -81.53 112.69 18.99 Favored 'General case' 0 CA--C 1.537 0.453 0 C-N-CA 123.178 0.591 . . . . 0.0 109.52 172.573 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 4' ' ' GLN . . . . . . . . . . . . . 6.0 pt20 -158.46 -179.1 7.78 Favored 'General case' 0 CA--C 1.537 0.463 0 C-N-CA 125.251 1.42 . . . . 0.0 110.829 -172.703 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 5' ' ' HIS . . . . . . . . . . . . . 70.3 m-70 -75.18 136.12 41.04 Favored 'General case' 0 CA--C 1.542 0.672 0 C-N-CA 124.257 1.023 . . . . 0.0 109.835 167.574 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 86.9 mt -143.65 133.93 24.53 Favored 'General case' 0 N--CA 1.47 0.537 0 C-N-CA 124.942 1.297 . . . . 0.0 110.295 -175.812 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 7' ' ' CYS . . . . . . . . . . . . . 1.8 t -157.0 146.42 20.42 Favored 'General case' 0 N--CA 1.468 0.462 0 C-N-CA 123.665 0.786 . . . . 0.0 111.403 -175.715 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 8' ' ' GLY . . . . . . . . . . . . . . . 58.71 -127.28 44.85 Favored Glycine 0 CA--C 1.531 1.046 0 C-N-CA 123.902 0.763 . . . . 0.0 112.717 179.394 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 9' ' ' SER . . . . . . . . . . . . . 8.8 t -56.33 -38.1 70.87 Favored 'General case' 0 N--CA 1.473 0.687 0 C-N-CA 123.746 0.819 . . . . 0.0 112.607 178.698 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 10' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -62.75 -35.13 78.8 Favored 'General case' 0 CA--C 1.544 0.741 0 O-C-N 120.73 -1.231 . . . . 0.0 112.623 175.673 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 15.8 tp -74.12 -42.19 60.42 Favored 'General case' 0 CA--C 1.536 0.441 0 C-N-CA 124.398 1.079 . . . . 0.0 111.072 177.484 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 91.2 t -59.81 -41.79 86.82 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.106 0 C-N-CA 124.12 0.968 . . . . 0.0 111.189 171.532 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 19.7 mt-10 -58.77 -49.67 76.78 Favored 'General case' 0 N--CA 1.465 0.304 0 C-N-CA 123.425 0.69 . . . . 0.0 111.595 171.794 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -58.58 -47.0 85.75 Favored 'General case' 0 CA--C 1.534 0.364 0 CA-C-N 119.85 1.205 . . . . 0.0 112.529 177.724 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 3.9 mm? -57.2 -35.09 69.21 Favored 'General case' 0 N--CA 1.47 0.543 0 C-N-CA 123.549 0.74 . . . . 0.0 112.095 176.181 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 16' ' ' TYR . . . . . . . . . . . . . 90.0 t80 -62.48 -45.1 94.56 Favored 'General case' 0 CA--C 1.536 0.421 0 O-C-N 121.294 -0.878 . . . . 0.0 112.018 169.94 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 77.5 mt -65.97 -47.04 75.92 Favored 'General case' 0 N--CA 1.466 0.368 0 CA-C-N 118.868 0.758 . . . . 0.0 112.584 -178.079 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 18' ' ' VAL . . . . . . . . . . . . . 0.1 OUTLIER -72.99 -40.65 59.44 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.944 0 N-CA-C 112.928 0.714 . . . . 0.0 112.928 -179.989 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 19' ' ' CYS . . . . . . . . . . . . . 18.9 t -127.11 -36.79 2.13 Favored 'General case' 0 N--CA 1.473 0.676 0 N-CA-C 114.713 1.375 . . . . 0.0 114.713 -167.134 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . -75.37 -38.66 38.13 Favored Glycine 0 N--CA 1.476 1.346 0 O-C-N 121.529 -0.732 . . . . 0.0 113.218 -169.607 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 38.8 tt0 -63.07 -42.19 99.61 Favored 'General case' 0 CA--C 1.539 0.552 0 C-N-CA 124.842 1.257 . . . . 0.0 110.885 172.938 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 22' ' ' ARG . . . . . . . . . . . . . 72.4 mtp85 -65.65 -10.78 39.17 Favored 'General case' 0 CA--C 1.543 0.705 0 C-N-CA 124.454 1.102 . . . . 0.0 113.438 174.888 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . -74.79 -31.29 58.45 Favored Glycine 0 CA--C 1.529 0.939 0 C-N-CA 125.415 1.483 . . . . 0.0 113.637 175.856 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 24' ' ' HIS . . . . . . . . . . . . . 29.5 p80 -114.54 -21.12 10.45 Favored 'General case' 0 CA--C 1.548 0.869 0 N-CA-C 114.864 1.431 . . . . 0.0 114.864 177.229 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 25' ' ' PHE . . . . . . . . . . . . . 81.4 t80 -64.96 151.17 46.54 Favored 'General case' 0 CA--C 1.543 0.694 0 C-N-CA 124.021 0.928 . . . . 0.0 111.646 171.97 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 26' ' ' TYR . . . . . . . . . . . . . 52.8 t80 -66.37 148.75 51.41 Favored 'General case' 0 CA--C 1.543 0.679 0 N-CA-C 113.862 1.06 . . . . 0.0 113.862 -176.194 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 27' ' ' THR . . . . . . . . . . . . . 20.8 p -127.11 102.7 23.98 Favored Pre-proline 0 N--CA 1.473 0.698 0 C-N-CA 125.889 1.676 . . . . 0.0 109.466 176.329 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 28' ' ' PRO . . . . . . . . . . . . . 78.3 Cg_exo -59.37 162.57 14.28 Favored 'Trans proline' 0 C--N 1.351 0.676 0 C-N-CA 124.086 3.191 . . . . 0.0 114.34 177.452 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 43.0 tttm -68.29 139.62 55.94 Favored 'General case' 0 CA--C 1.55 0.954 0 C-N-CA 124.206 1.002 . . . . 0.0 112.49 179.348 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 30' ' ' THR . . . . . . . . . . . . . 6.0 t . . . . . 0 C--O 1.254 1.34 0 C-N-CA 125.25 1.42 . . . . 0.0 113.241 171.826 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.483 1.796 0 N-CA-C 112.286 -0.326 . . . . 0.0 112.286 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 6.8 tp -58.28 -35.42 53.42 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.239 0 C-N-CA 125.497 1.519 . . . . 0.0 113.909 -172.151 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 91.5 t -64.01 -33.66 63.66 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.008 0 C-N-CA 123.823 0.849 . . . . 0.0 111.113 176.928 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 29.6 tt0 -82.46 -3.34 55.58 Favored 'General case' 0 CA--C 1.549 0.911 0 C-N-CA 124.893 1.277 . . . . 0.0 112.579 175.875 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 8.6 tp-100 -96.57 -48.66 5.44 Favored 'General case' 0 CA--C 1.538 0.505 0 O-C-N 120.975 -1.078 . . . . 0.0 110.656 167.827 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 65.0 m -108.72 -26.79 10.15 Favored 'General case' 0 N--CA 1.47 0.557 0 N-CA-C 116.511 2.041 . . . . 0.0 116.511 -166.128 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 47.8 t -86.99 -35.24 18.93 Favored 'General case' 0 N--CA 1.478 0.97 0 CA-C-N 120.546 1.521 . . . . 0.0 113.255 179.885 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 5.2 t -79.37 -21.15 46.15 Favored 'General case' 0 N--CA 1.475 0.82 0 C-N-CA 125.017 1.327 . . . . 0.0 113.32 178.95 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 26.9 p -157.45 163.15 38.81 Favored 'General case' 0 CA--C 1.542 0.655 0 C-N-CA 125.302 1.441 . . . . 0.0 112.141 -171.658 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 20.6 mm -60.43 129.21 22.71 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.892 0 O-C-N 121.477 -0.764 . . . . 0.0 109.471 172.08 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 16.8 p -120.35 157.94 28.17 Favored 'General case' 0 N--CA 1.47 0.554 0 CA-C-O 121.852 0.834 . . . . 0.0 113.07 172.453 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 30.6 m -104.92 152.32 22.8 Favored 'General case' 0 CA--C 1.535 0.397 0 C-N-CA 124.973 1.309 . . . . 0.0 112.129 177.873 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 1.8 pt? -57.04 -41.84 79.38 Favored 'General case' 0 CA--C 1.531 0.215 0 C-N-CA 124.097 0.959 . . . . 0.0 112.256 -176.632 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 19.6 p90 -69.02 -15.85 63.57 Favored 'General case' 0 CA--C 1.535 0.394 0 C-N-CA 124.749 1.22 . . . . 0.0 114.048 -172.982 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 3.2 pt20 -109.53 -26.2 10.07 Favored 'General case' 0 C--O 1.224 -0.283 0 C-N-CA 123.85 0.86 . . . . 0.0 110.649 179.686 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -75.47 -30.67 60.0 Favored 'General case' 0 CA--C 1.548 0.884 0 CA-C-N 119.113 0.87 . . . . 0.0 111.541 176.141 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 23.6 mt-10 -53.18 -36.12 60.57 Favored 'General case' 0 N--CA 1.479 1.023 0 C-N-CA 124.41 1.084 . . . . 0.0 112.147 170.906 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 7.5 m-80 -64.21 -14.07 52.98 Favored 'General case' 0 CA--C 1.547 0.853 0 N-CA-C 113.395 0.887 . . . . 0.0 113.395 -176.026 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 88.7 m-85 -91.27 -5.28 54.97 Favored 'General case' 0 CA--C 1.544 0.746 0 C-N-CA 125.296 1.438 . . . . 0.0 113.386 174.689 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 15.4 t -72.96 -27.79 62.04 Favored 'General case' 0 CA--C 1.544 0.725 0 C-N-CA 124.328 1.051 . . . . 0.0 112.653 172.273 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 35.4 m120 . . . . . 0 C--O 1.253 1.279 0 C-N-CA 125.923 1.689 . . . . 0.0 113.021 179.318 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' B' B ' 1' ' ' PHE . . . . . . . . . . . . . 74.5 t80 . . . . . 0 N--CA 1.487 1.404 0 N-CA-C 110.712 -0.107 . . . . 0.0 110.712 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' B' B ' 2' ' ' VAL . . . . . . . . . . . . . 90.4 t -132.06 121.84 47.52 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.949 0 C-N-CA 124.967 1.307 . . . . 0.0 108.301 169.982 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 3' ' ' ASN . . . . . . . . . . . . . 8.6 m120 -61.84 113.97 3.07 Favored 'General case' 0 CA--C 1.537 0.459 0 C-N-CA 123.967 0.907 . . . . 0.0 110.026 172.486 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 4' ' ' GLN . . . . . . . . . . . . . 12.5 pt20 -156.91 178.74 10.01 Favored 'General case' 0 CA--C 1.532 0.287 0 C-N-CA 123.782 0.833 . . . . 0.0 111.185 -172.492 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 5' ' ' HIS . . . . . . . . . . . . . 73.7 m-70 -82.99 124.93 30.86 Favored 'General case' 0 CA--C 1.544 0.715 0 C-N-CA 123.954 0.902 . . . . 0.0 110.184 167.48 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 97.0 mt -125.16 124.37 41.64 Favored 'General case' 0 N--CA 1.466 0.364 0 C-N-CA 125.453 1.501 . . . . 0.0 110.185 -177.285 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 7' ' ' CYS . . . . . . . . . . . . . 65.2 m -139.28 150.47 45.49 Favored 'General case' 0 N--CA 1.469 0.508 0 C-N-CA 125.467 1.507 . . . . 0.0 110.307 -175.958 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 8' ' ' GLY . . . . . . . . . . . . . . . 57.93 -130.85 51.61 Favored Glycine 0 N--CA 1.471 0.981 0 C-N-CA 123.682 0.658 . . . . 0.0 112.402 174.478 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 9' ' ' SER . . . . . . . . . . . . . 22.5 m -54.05 -42.85 69.69 Favored 'General case' 0 N--CA 1.47 0.569 0 C-N-CA 124.148 0.979 . . . . 0.0 112.608 177.294 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 10' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -57.05 -35.91 69.89 Favored 'General case' 0 N--CA 1.475 0.793 0 C-N-CA 123.936 0.895 . . . . 0.0 112.627 -177.866 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 19.5 tp -71.6 -31.19 66.65 Favored 'General case' 0 CA--C 1.538 0.51 0 C-N-CA 124.73 1.212 . . . . 0.0 112.47 177.838 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 94.8 t -81.66 -36.81 14.76 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.967 0 C-N-CA 124.722 1.209 . . . . 0.0 109.558 -179.534 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 2.4 mt-10 -52.3 -52.58 52.17 Favored 'General case' 0 N--CA 1.451 -0.424 0 C-N-CA 125.711 1.604 . . . . 0.0 110.628 164.043 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -58.05 -52.22 66.43 Favored 'General case' 0 N--CA 1.451 -0.415 0 CA-C-O 117.968 -1.015 . . . . 0.0 111.451 179.597 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 3.7 mm? -54.39 -38.57 66.34 Favored 'General case' 0 N--CA 1.471 0.602 0 CA-C-N 119.54 1.064 . . . . 0.0 112.413 177.249 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 16' ' ' TYR . . . . . . . . . . . . . 79.3 t80 -63.37 -46.37 86.8 Favored 'General case' 0 CA--C 1.539 0.529 0 CA-C-N 119.09 0.859 . . . . 0.0 112.168 171.525 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 27.1 mt -64.53 -43.93 92.45 Favored 'General case' 0 CA--C 1.537 0.467 0 C-N-CA 124.514 1.126 . . . . 0.0 112.517 -178.012 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 18' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -80.98 -43.34 20.66 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.202 0 CA-C-N 118.541 0.61 . . . . 0.0 112.157 -178.24 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 19' ' ' CYS . . . . . . . . . . . . . 24.2 t -102.34 -42.54 5.96 Favored 'General case' 0 CA--C 1.54 0.59 0 N-CA-C 113.733 1.012 . . . . 0.0 113.733 -170.224 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . -86.77 -47.12 4.92 Favored Glycine 0 N--CA 1.474 1.22 0 C-N-CA 124.144 0.878 . . . . 0.0 113.969 -167.339 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 37.1 tt0 -62.56 -35.96 81.13 Favored 'General case' 0 CA--C 1.539 0.529 0 C-N-CA 124.753 1.221 . . . . 0.0 111.807 -176.15 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 22' ' ' ARG . . . . . . . . . . . . . 30.1 mtm105 -61.91 -10.07 8.52 Favored 'General case' 0 CA--C 1.543 0.711 0 N-CA-C 114.06 1.133 . . . . 0.0 114.06 176.946 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . -70.44 -23.03 77.83 Favored Glycine 0 CA--C 1.531 1.06 0 C-N-CA 125.178 1.37 . . . . 0.0 114.084 171.099 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 24' ' ' HIS . . . . . . . . . . . . . 28.0 p80 -128.92 -23.19 3.11 Favored 'General case' 0 CA--C 1.549 0.926 0 N-CA-C 115.668 1.729 . . . . 0.0 115.668 177.625 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 25' ' ' PHE . . . . . . . . . . . . . 87.0 t80 -158.07 130.45 7.12 Favored 'General case' 0 CA--C 1.538 0.516 0 CA-C-N 119.473 1.033 . . . . 0.0 112.766 179.39 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 26' ' ' TYR . . . . . . . . . . . . . 41.2 t80 -148.83 153.27 37.86 Favored 'General case' 0 CA--C 1.543 0.688 0 C-N-CA 125.423 1.489 . . . . 0.0 111.689 175.19 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 27' ' ' THR . . . . . . . . . . . . . 23.2 p -115.8 90.7 27.94 Favored Pre-proline 0 N--CA 1.472 0.665 0 C-N-CA 126.259 1.824 . . . . 0.0 110.023 179.591 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 28' ' ' PRO . . . . . . . . . . . . . 91.3 Cg_endo -74.82 164.09 34.26 Favored 'Trans proline' 0 C--N 1.351 0.679 0 C-N-CA 123.515 2.81 . . . . 0.0 111.796 179.747 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 43.4 tttm -81.8 17.67 1.45 Allowed 'General case' 0 CA--C 1.553 1.086 0 C-N-CA 124.855 1.262 . . . . 0.0 113.913 -178.631 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 30' ' ' THR . . . . . . . . . . . . . 26.2 m . . . . . 0 C--O 1.252 1.213 0 C-N-CA 127.212 2.205 . . . . 0.0 112.521 -179.004 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.482 1.722 0 N-CA-C 112.607 -0.197 . . . . 0.0 112.607 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 7.9 tp -58.18 -34.52 49.85 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.17 0 C-N-CA 125.912 1.685 . . . . 0.0 113.964 -173.322 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 60.3 t -63.67 -32.34 56.5 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.987 0 C-N-CA 124.098 0.959 . . . . 0.0 111.118 176.792 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 40.2 mt-10 -81.24 5.79 16.04 Favored 'General case' 0 CA--C 1.546 0.803 0 C-N-CA 125.218 1.407 . . . . 0.0 112.368 175.42 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 18.9 mm-40 -110.94 -63.84 1.35 Allowed 'General case' 0 CA--C 1.534 0.354 0 C-N-CA 124.368 1.067 . . . . 0.0 110.224 164.212 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 86.9 m -83.65 -30.65 26.68 Favored 'General case' 0 N--CA 1.469 0.491 0 N-CA-C 115.394 1.627 . . . . 0.0 115.394 -167.93 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 25.4 t -83.76 -26.4 29.7 Favored 'General case' 0 N--CA 1.475 0.796 0 CA-C-N 119.577 1.08 . . . . 0.0 113.012 -179.336 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 8.4 t -85.08 -34.94 22.13 Favored 'General case' 0 N--CA 1.473 0.722 0 C-N-CA 124.661 1.184 . . . . 0.0 112.905 177.363 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 60.7 m -145.8 172.52 13.19 Favored 'General case' 0 CA--C 1.544 0.741 0 C-N-CA 124.898 1.279 . . . . 0.0 112.426 -172.493 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 21.9 mm -61.52 124.57 16.25 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.837 0 O-C-N 120.85 -1.156 . . . . 0.0 108.732 166.222 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 23.7 p -110.94 147.02 35.56 Favored 'General case' 0 N--CA 1.469 0.497 0 C-N-CA 123.392 0.677 . . . . 0.0 112.044 171.953 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 50.8 m -95.32 151.03 19.61 Favored 'General case' 0 N--CA 1.469 0.509 0 C-N-CA 123.878 0.871 . . . . 0.0 112.166 175.844 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . 0.404 HD23 ' H ' ' A' ' 13' ' ' LEU . 1.5 pt? -56.22 -43.04 78.17 Favored 'General case' 0 N--CA 1.462 0.156 0 C-N-CA 124.203 1.001 . . . . 0.0 111.754 -176.727 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 18.1 p90 -65.96 -15.1 62.69 Favored 'General case' 0 CA--C 1.538 0.482 0 N-CA-C 114.785 1.402 . . . . 0.0 114.785 -176.01 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 3.7 pt20 -112.17 -30.22 7.3 Favored 'General case' 0 N--CA 1.468 0.446 0 C-N-CA 123.741 0.816 . . . . 0.0 110.501 -178.953 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -68.21 -36.49 79.62 Favored 'General case' 0 CA--C 1.55 0.971 0 C-N-CA 123.77 0.828 . . . . 0.0 110.79 171.285 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 12.2 mt-10 -49.07 -36.69 19.04 Favored 'General case' 0 N--CA 1.479 0.999 0 C-N-CA 126.569 1.948 . . . . 0.0 112.596 173.504 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 5.0 m-80 -64.83 -19.43 65.85 Favored 'General case' 0 CA--C 1.543 0.678 0 N-CA-C 112.946 0.721 . . . . 0.0 112.946 -176.341 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 93.5 m-85 -87.21 -2.5 58.67 Favored 'General case' 0 CA--C 1.546 0.795 0 C-N-CA 125.117 1.367 . . . . 0.0 113.506 177.129 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 17.2 t -73.13 -26.85 61.38 Favored 'General case' 0 CA--C 1.544 0.726 0 C-N-CA 123.567 0.747 . . . . 0.0 112.703 168.869 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--O 1.251 1.155 0 C-N-CA 125.571 1.548 . . . . 0.0 112.424 178.429 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 1' ' ' PHE . . . . . . . . . . . . . 75.1 t80 . . . . . 0 N--CA 1.485 1.32 0 CA-C-O 119.787 -0.149 . . . . 0.0 110.793 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' B' B ' 2' ' ' VAL . . . . . . . . . . . . . 94.8 t -129.81 120.91 51.17 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.0 0 C-N-CA 125.115 1.366 . . . . 0.0 108.502 172.345 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 3' ' ' ASN . . . . . . . . . . . . . 55.8 m-20 -60.17 117.05 4.67 Favored 'General case' 0 CA--C 1.535 0.404 0 C-N-CA 123.477 0.711 . . . . 0.0 110.287 171.727 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 4' ' ' GLN . . . . . . . . . . . . . 10.5 pt20 -158.7 -177.72 6.73 Favored 'General case' 0 CA--C 1.533 0.324 0 C-N-CA 123.957 0.903 . . . . 0.0 110.847 -174.949 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 5' ' ' HIS . . . . . . . . . . . . . 83.4 m-70 -83.14 124.25 30.31 Favored 'General case' 0 CA--C 1.544 0.745 0 C-N-CA 124.004 0.922 . . . . 0.0 110.685 171.443 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 77.6 mt -135.47 128.98 32.46 Favored 'General case' 0 N--CA 1.472 0.633 0 C-N-CA 125.275 1.43 . . . . 0.0 110.854 -173.106 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 7' ' ' CYS . . . . . . . . . . . . . 61.2 m -140.72 153.17 45.81 Favored 'General case' 0 N--CA 1.471 0.603 0 C-N-CA 125.903 1.681 . . . . 0.0 110.207 -176.372 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 8' ' ' GLY . . . . . . . . . . . . . . . 57.81 -131.54 52.1 Favored Glycine 0 N--CA 1.473 1.1 0 C-N-CA 123.745 0.688 . . . . 0.0 112.918 172.028 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 9' ' ' SER . . . . . . . . . . . . . 20.4 m -54.42 -42.52 70.6 Favored 'General case' 0 N--CA 1.472 0.642 0 C-N-CA 124.077 0.951 . . . . 0.0 112.376 176.986 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 10' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -57.75 -30.55 65.7 Favored 'General case' 0 N--CA 1.474 0.74 0 C-N-CA 123.931 0.892 . . . . 0.0 112.825 179.063 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 17.2 tp -79.5 -26.7 41.52 Favored 'General case' 0 CA--C 1.542 0.661 0 C-N-CA 124.678 1.191 . . . . 0.0 112.967 177.692 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 92.7 t -80.99 -34.01 13.47 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.199 0 C-N-CA 124.822 1.249 . . . . 0.0 109.813 176.158 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 2.4 mt-10 -52.5 -51.82 57.57 Favored 'General case' 0 N--CA 1.45 -0.455 0 C-N-CA 124.961 1.305 . . . . 0.0 110.584 158.998 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -53.63 -54.91 31.04 Favored 'General case' 0 CA--C 1.532 0.268 0 C-N-CA 123.581 0.752 . . . . 0.0 111.792 -178.974 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 4.1 mm? -55.86 -35.22 66.22 Favored 'General case' 0 N--CA 1.471 0.589 0 C-N-CA 123.462 0.705 . . . . 0.0 112.413 177.677 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 16' ' ' TYR . . . . . . . . . . . . . 84.9 t80 -65.55 -46.77 78.26 Favored 'General case' 0 CA--C 1.54 0.589 0 CA-C-N 119.272 0.942 . . . . 0.0 112.111 170.082 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 28.7 mt -64.34 -40.8 96.6 Favored 'General case' 0 N--CA 1.469 0.478 0 C-N-CA 124.028 0.931 . . . . 0.0 112.632 -175.389 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 18' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -76.16 -51.14 20.66 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.037 0 C-N-CA 123.414 0.686 . . . . 0.0 112.789 172.942 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 19' ' ' CYS . . . . . . . . . . . . . 9.5 t -112.26 -33.6 6.17 Favored 'General case' 0 N--CA 1.475 0.782 0 N-CA-C 114.979 1.474 . . . . 0.0 114.979 -163.765 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . -84.73 -35.85 12.71 Favored Glycine 0 N--CA 1.477 1.399 0 O-C-N 121.418 -0.801 . . . . 0.0 113.719 -172.359 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 36.4 tt0 -65.03 -17.7 64.67 Favored 'General case' 0 CA--C 1.547 0.857 0 C-N-CA 126.433 1.893 . . . . 0.0 112.203 176.047 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 22' ' ' ARG . . . . . . . . . . . . . 13.8 mmp_? -68.11 -18.67 64.71 Favored 'General case' 0 CA--C 1.545 0.755 0 C-N-CA 124.875 1.27 . . . . 0.0 112.762 171.739 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . -82.22 179.77 53.1 Favored Glycine 0 CA--C 1.532 1.128 0 C-N-CA 125.82 1.676 . . . . 0.0 113.471 179.42 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 24' ' ' HIS . . . . . . . . . . . . . 27.3 p80 -75.95 -17.49 59.71 Favored 'General case' 0 CA--C 1.55 0.944 0 N-CA-C 115.325 1.602 . . . . 0.0 115.325 -173.41 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 25' ' ' PHE . . . . . . . . . . . . . 60.9 t80 -162.03 159.42 26.31 Favored 'General case' 0 CA--C 1.544 0.723 0 C-N-CA 124.861 1.264 . . . . 0.0 112.707 -172.239 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 26' ' ' TYR . . . . . . . . . . . . . 57.8 t80 -62.31 157.12 20.47 Favored 'General case' 0 CA--C 1.546 0.791 0 C-N-CA 126.264 1.826 . . . . 0.0 113.699 175.463 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 27' ' ' THR . . . . . . . . . . . . . 24.9 p -128.35 124.12 22.74 Favored Pre-proline 0 N--CA 1.474 0.775 0 C-N-CA 124.543 1.137 . . . . 0.0 109.61 166.683 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 28' ' ' PRO . . . . . . . . . . . . . 67.3 Cg_endo -79.88 151.06 21.35 Favored 'Trans proline' 0 C--N 1.349 0.575 0 C-N-CA 123.154 2.569 . . . . 0.0 111.063 179.742 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 13.9 mptt -109.18 154.58 22.16 Favored 'General case' 0 CA--C 1.546 0.789 0 C-N-CA 125.27 1.428 . . . . 0.0 111.871 -176.739 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 30' ' ' THR . . . . . . . . . . . . . 12.9 t . . . . . 0 C--O 1.254 1.329 0 C-N-CA 125.278 1.431 . . . . 0.0 112.773 178.039 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.484 1.873 0 N-CA-C 112.463 -0.255 . . . . 0.0 112.463 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 7.8 tp -57.86 -36.1 54.23 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.159 0 C-N-CA 125.546 1.538 . . . . 0.0 113.845 -172.89 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 93.5 t -62.6 -33.88 62.09 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.983 0 C-N-CA 123.691 0.796 . . . . 0.0 111.175 176.885 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 41.0 mt-10 -79.01 -8.56 59.04 Favored 'General case' 0 CA--C 1.542 0.661 0 C-N-CA 124.035 0.934 . . . . 0.0 112.589 177.0 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 29.6 mm100 -91.94 -50.62 5.62 Favored 'General case' 0 CA--C 1.535 0.372 0 O-C-N 121.532 -0.73 . . . . 0.0 110.813 168.04 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 98.9 m -99.78 -28.32 13.21 Favored 'General case' 0 N--CA 1.472 0.673 0 N-CA-C 116.381 1.993 . . . . 0.0 116.381 -166.264 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 49.7 t -83.85 -40.65 18.4 Favored 'General case' 0 N--CA 1.477 0.917 0 N-CA-C 113.934 1.087 . . . . 0.0 113.934 -177.994 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 6.6 t -74.79 -31.56 61.77 Favored 'General case' 0 N--CA 1.478 0.972 0 C-N-CA 124.554 1.141 . . . . 0.0 112.941 -177.89 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 74.7 m -156.19 172.65 18.08 Favored 'General case' 0 N--CA 1.469 0.485 0 C-N-CA 128.019 2.528 . . . . 0.0 109.15 -173.611 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 31.4 mt -75.85 125.63 35.72 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.455 0 O-C-N 121.198 -0.939 . . . . 0.0 111.121 -179.691 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 28.9 p -98.11 169.8 9.36 Favored 'General case' 0 CA--C 1.537 0.467 0 C-N-CA 124.587 1.155 . . . . 0.0 112.164 171.813 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 72.3 m -127.66 151.95 48.31 Favored 'General case' 0 C--O 1.236 0.358 0 C-N-CA 124.586 1.154 . . . . 0.0 111.68 -178.598 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 1.4 pt? -53.92 -42.73 69.09 Favored 'General case' 0 N--CA 1.463 0.196 0 C-N-CA 124.57 1.148 . . . . 0.0 111.915 -172.733 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 21.4 p90 -65.97 -14.47 61.65 Favored 'General case' 0 CA--C 1.537 0.45 0 N-CA-C 114.769 1.396 . . . . 0.0 114.769 -175.017 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 6.8 pt20 -117.27 -30.83 5.49 Favored 'General case' 0 N--CA 1.466 0.328 0 C-N-CA 123.365 0.666 . . . . 0.0 110.978 -178.986 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -69.75 -34.95 74.51 Favored 'General case' 0 CA--C 1.549 0.915 0 C-N-CA 123.687 0.795 . . . . 0.0 111.07 176.826 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 15.2 mt-10 -48.78 -36.86 17.53 Favored 'General case' 0 N--CA 1.48 1.032 0 C-N-CA 126.048 1.739 . . . . 0.0 112.222 170.289 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 1.7 t-20 -58.73 -27.98 65.41 Favored 'General case' 0 CA--C 1.542 0.656 0 C-N-CA 124.387 1.075 . . . . 0.0 113.072 -176.312 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 88.9 m-85 -85.07 -3.37 58.77 Favored 'General case' 0 CA--C 1.543 0.707 0 C-N-CA 125.798 1.639 . . . . 0.0 113.608 -179.48 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 14.8 t -72.84 -26.83 61.61 Favored 'General case' 0 CA--C 1.545 0.779 0 C-N-CA 123.622 0.769 . . . . 0.0 112.755 171.455 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 24.5 t-20 . . . . . 0 C--O 1.253 1.247 0 C-N-CA 125.643 1.577 . . . . 0.0 113.017 178.503 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' B' B ' 1' ' ' PHE . . . . . . . . . . . . . 67.1 t80 . . . . . 0 N--CA 1.487 1.415 0 CA-C-O 119.561 -0.257 . . . . 0.0 110.832 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' B' B ' 2' ' ' VAL . . . . . . . . . . . . . 71.7 t -125.14 118.89 54.21 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.929 0 C-N-CA 124.907 1.283 . . . . 0.0 108.647 173.211 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 3' ' ' ASN . . . . . . . . . . . . . 9.4 m120 -70.18 105.11 2.82 Favored 'General case' 0 CA--C 1.542 0.664 0 C-N-CA 123.624 0.77 . . . . 0.0 110.188 173.149 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 4' ' ' GLN . . . . . . . . . . . . . 28.4 pt20 -160.79 -177.81 6.41 Favored 'General case' 0 CA--C 1.538 0.5 0 C-N-CA 125.985 1.714 . . . . 0.0 110.406 -179.189 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 5' ' ' HIS . . . . . . . . . . . . . 69.6 m-70 -84.46 124.8 31.75 Favored 'General case' 0 CA--C 1.544 0.718 0 C-N-CA 124.033 0.933 . . . . 0.0 110.853 179.476 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 72.5 mt -136.99 134.35 36.55 Favored 'General case' 0 N--CA 1.473 0.707 0 C-N-CA 125.739 1.616 . . . . 0.0 109.645 -173.596 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 7' ' ' CYS . . . . . . . . . . . . . 3.0 t -140.16 -50.66 0.48 Allowed 'General case' 0 N--CA 1.48 1.039 0 N-CA-C 116.55 2.056 . . . . 0.0 116.55 -167.626 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 8' ' ' GLY . . . . . . . . . . . . . . . -103.42 -123.59 5.3 Favored Glycine 0 CA--C 1.526 0.747 0 C-N-CA 124.045 0.831 . . . . 0.0 111.791 -173.595 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 9' ' ' SER . . . . . . . . . . . . . 21.5 t -52.5 -39.01 60.79 Favored 'General case' 0 N--CA 1.476 0.855 0 CA-C-N 117.758 0.779 . . . . 0.0 111.345 169.562 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 10' ' ' HIS . . . . . . . . . . . . . 9.3 m-70 -50.22 -31.97 15.29 Favored 'General case' 0 CA--C 1.545 0.774 0 C-N-CA 125.228 1.411 . . . . 0.0 114.728 173.358 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 18.1 tp -83.97 -24.18 30.74 Favored 'General case' 0 CA--C 1.541 0.615 0 C-N-CA 124.498 1.119 . . . . 0.0 113.007 178.479 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 98.6 t -80.86 -35.97 15.06 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.034 0 C-N-CA 125.018 1.327 . . . . 0.0 109.405 175.066 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 2.4 mm-40 -52.78 -49.55 65.35 Favored 'General case' 0 N--CA 1.45 -0.464 0 C-N-CA 125.766 1.627 . . . . 0.0 110.61 159.707 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -52.55 -56.57 14.32 Favored 'General case' 0 CA--C 1.534 0.338 0 CA-C-N 119.353 0.979 . . . . 0.0 111.075 178.591 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 4.0 mm? -55.12 -35.08 64.3 Favored 'General case' 0 N--CA 1.471 0.578 0 C-N-CA 123.619 0.767 . . . . 0.0 112.971 177.946 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 16' ' ' TYR . . . . . . . . . . . . . 88.5 t80 -66.9 -45.57 77.58 Favored 'General case' 0 CA--C 1.541 0.603 0 CA-C-N 119.699 1.136 . . . . 0.0 112.606 171.632 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 41.4 mt -66.11 -36.47 83.24 Favored 'General case' 0 N--CA 1.469 0.502 0 C-N-CA 124.962 1.305 . . . . 0.0 112.569 -176.316 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 18' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -82.22 -63.29 1.21 Allowed 'Isoleucine or valine' 0 N--CA 1.478 0.957 0 C-N-CA 123.408 0.683 . . . . 0.0 112.4 170.829 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 19' ' ' CYS . . . . . . . . . . . . . 10.9 t -88.57 -24.83 22.76 Favored 'General case' 0 N--CA 1.471 0.592 0 N-CA-C 113.979 1.103 . . . . 0.0 113.979 -161.835 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . -89.57 -55.18 2.09 Favored Glycine 0 N--CA 1.47 0.917 0 C-N-CA 124.441 1.019 . . . . 0.0 111.866 178.508 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 6.4 mm-40 -69.79 -18.05 63.45 Favored 'General case' 0 CA--C 1.542 0.657 0 C-N-CA 125.145 1.378 . . . . 0.0 114.189 -173.514 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 22' ' ' ARG . . . . . . . . . . . . . 41.6 ptt180 -61.56 -36.29 80.2 Favored 'General case' 0 N--CA 1.474 0.729 0 O-C-N 121.289 -0.882 . . . . 0.0 112.267 171.369 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . 70.3 -178.42 30.83 Favored Glycine 0 CA--C 1.532 1.142 0 C-N-CA 125.815 1.674 . . . . 0.0 114.368 177.164 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 24' ' ' HIS . . . . . . . . . . . . . 29.3 m170 -78.56 143.35 36.58 Favored 'General case' 0 CA--C 1.545 0.761 0 C-N-CA 123.567 0.747 . . . . 0.0 110.729 165.244 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 25' ' ' PHE . . . . . . . . . . . . . 12.6 m-85 65.22 -174.78 0.18 Allowed 'General case' 0 N--CA 1.478 0.928 0 C-N-CA 125.224 1.409 . . . . 0.0 111.166 -173.451 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 26' ' ' TYR . . . . . . . . . . . . . 38.1 t80 -78.84 140.32 38.2 Favored 'General case' 0 CA--C 1.538 0.491 0 O-C-N 121.694 -0.629 . . . . 0.0 110.62 147.513 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 27' ' ' THR . . . . . . . . . . . . . 19.8 p -133.73 112.94 12.75 Favored Pre-proline 0 N--CA 1.471 0.617 0 C-N-CA 125.613 1.565 . . . . 0.0 107.889 173.719 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 28' ' ' PRO . . . . . . . . . . . . . 89.8 Cg_exo -58.23 136.98 78.16 Favored 'Trans proline' 0 C--N 1.351 0.706 0 C-N-CA 123.426 2.75 . . . . 0.0 114.102 -177.421 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 25.9 pttt -173.34 162.04 4.28 Favored 'General case' 0 CA--C 1.546 0.797 0 C-N-CA 127.118 2.167 . . . . 0.0 112.766 -168.473 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 30' ' ' THR . . . . . . . . . . . . . 32.8 m . . . . . 0 C--O 1.253 1.24 0 C-N-CA 125.994 1.717 . . . . 0.0 110.962 -175.837 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.657 0 CA-C-O 121.054 0.252 . . . . 0.0 112.479 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 8.3 tp -60.3 -36.62 69.94 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.159 0 C-N-CA 125.314 1.446 . . . . 0.0 113.809 -171.874 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 77.2 t -62.57 -34.66 66.24 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.047 0 C-N-CA 123.908 0.883 . . . . 0.0 110.874 177.33 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 42.2 mt-10 -77.66 -1.03 28.96 Favored 'General case' 0 CA--C 1.544 0.746 0 C-N-CA 124.66 1.184 . . . . 0.0 112.592 176.66 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 13.7 mm-40 -109.22 -43.74 4.09 Favored 'General case' 0 CA--C 1.534 0.331 0 O-C-N 121.058 -1.027 . . . . 0.0 112.462 170.235 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 92.5 m -103.6 -26.2 12.89 Favored 'General case' 0 N--CA 1.473 0.707 0 N-CA-C 115.787 1.773 . . . . 0.0 115.787 -169.56 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 43.4 t -86.69 -32.25 20.59 Favored 'General case' 0 N--CA 1.479 0.979 0 N-CA-C 113.476 0.917 . . . . 0.0 113.476 179.275 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 6.0 t -74.86 -33.03 62.04 Favored 'General case' 0 N--CA 1.476 0.869 0 C-N-CA 124.824 1.25 . . . . 0.0 112.842 178.501 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 85.4 p -168.27 178.59 4.87 Favored 'General case' 0 CA--C 1.538 0.482 0 C-N-CA 127.048 2.139 . . . . 0.0 110.379 -172.737 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 12.0 mt -76.37 125.94 36.58 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.455 0 O-C-N 121.055 -1.028 . . . . 0.0 111.965 -173.733 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 29.8 p -104.89 152.73 22.29 Favored 'General case' 0 CA--C 1.538 0.502 0 C-N-CA 125.205 1.402 . . . . 0.0 111.522 171.678 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 50.9 m -96.04 151.38 19.5 Favored 'General case' 0 N--CA 1.472 0.648 0 C-N-CA 123.704 0.801 . . . . 0.0 112.277 175.69 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 1.7 pt? -57.08 -41.33 78.65 Favored 'General case' 0 N--CA 1.465 0.321 0 C-N-CA 123.749 0.82 . . . . 0.0 111.874 -176.841 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 15.1 p90 -67.28 -11.32 57.22 Favored 'General case' 0 CA--C 1.536 0.424 0 N-CA-C 114.893 1.442 . . . . 0.0 114.893 -176.291 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 3.8 pt20 -117.0 -31.95 5.22 Favored 'General case' 0 N--CA 1.464 0.249 0 C-N-CA 123.94 0.896 . . . . 0.0 110.555 179.473 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -65.92 -34.0 77.11 Favored 'General case' 0 CA--C 1.548 0.87 0 CA-C-N 119.472 1.033 . . . . 0.0 110.93 173.37 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 13.6 mt-10 -46.4 -36.63 6.67 Favored 'General case' 0 N--CA 1.477 0.891 0 C-N-CA 126.271 1.828 . . . . 0.0 112.705 171.138 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 91.9 m-20 -62.75 -25.4 68.18 Favored 'General case' 0 CA--C 1.541 0.623 0 C-N-CA 124.365 1.066 . . . . 0.0 112.814 -174.951 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 83.4 m-85 -86.52 -3.56 59.04 Favored 'General case' 0 CA--C 1.542 0.673 0 C-N-CA 125.905 1.682 . . . . 0.0 113.369 -177.543 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 22.8 t -72.01 -27.17 62.55 Favored 'General case' 0 CA--C 1.545 0.765 0 C-N-CA 123.686 0.794 . . . . 0.0 112.698 169.318 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--O 1.252 1.218 0 C-N-CA 125.551 1.541 . . . . 0.0 112.435 178.617 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 1' ' ' PHE . . . . . . . . . . . . . 49.1 t80 . . . . . 0 N--CA 1.486 1.361 0 CA-C-O 119.586 -0.245 . . . . 0.0 110.633 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' B' B ' 2' ' ' VAL . . . . . . . . . . . . . 21.8 m -131.62 134.06 60.9 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.96 0 C-N-CA 124.244 1.018 . . . . 0.0 109.575 164.451 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 3' ' ' ASN . . . . . . . . . . . . . 73.1 m-20 -64.28 125.3 24.13 Favored 'General case' 0 CA--C 1.538 0.505 0 N-CA-C 109.424 -0.584 . . . . 0.0 109.424 169.439 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 4' ' ' GLN . . . . . . . . . . . . . 24.6 pt20 -161.31 -179.25 7.26 Favored 'General case' 0 CA--C 1.535 0.39 0 C-N-CA 125.036 1.334 . . . . 0.0 110.247 -170.36 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 5' ' ' HIS . . . . . . . . . . . . . 83.5 m-70 -85.1 129.88 34.72 Favored 'General case' 0 CA--C 1.541 0.632 0 C-N-CA 123.821 0.849 . . . . 0.0 110.697 172.864 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 75.6 mt -138.62 130.94 28.63 Favored 'General case' 0 N--CA 1.47 0.564 0 C-N-CA 124.577 1.151 . . . . 0.0 111.188 -171.428 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 7' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -153.46 146.76 24.78 Favored 'General case' 0 N--CA 1.468 0.46 0 C-N-CA 123.588 0.755 . . . . 0.0 111.231 179.517 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 8' ' ' GLY . . . . . . . . . . . . . . . 57.37 -124.45 35.96 Favored Glycine 0 CA--C 1.532 1.102 0 C-N-CA 124.056 0.836 . . . . 0.0 112.704 179.233 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 9' ' ' SER . . . . . . . . . . . . . 8.8 t -55.84 -38.93 70.72 Favored 'General case' 0 N--CA 1.472 0.648 0 C-N-CA 123.899 0.88 . . . . 0.0 112.621 178.57 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 10' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -63.03 -35.22 79.49 Favored 'General case' 0 N--CA 1.473 0.692 0 O-C-N 120.763 -1.21 . . . . 0.0 112.483 175.991 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 15.6 tp -74.19 -41.0 62.13 Favored 'General case' 0 CA--C 1.538 0.487 0 C-N-CA 124.042 0.937 . . . . 0.0 111.159 178.41 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 95.0 t -60.11 -41.82 87.85 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.166 0 C-N-CA 124.025 0.93 . . . . 0.0 111.345 170.215 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 22.2 mt-10 -58.94 -49.61 77.19 Favored 'General case' 0 CA--C 1.533 0.299 0 C-N-CA 123.252 0.621 . . . . 0.0 111.511 171.698 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -58.39 -46.76 85.74 Favored 'General case' 0 CA--C 1.534 0.333 0 CA-C-N 119.822 1.192 . . . . 0.0 112.527 178.051 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 3.9 mm? -56.43 -34.48 66.84 Favored 'General case' 0 N--CA 1.471 0.613 0 C-N-CA 123.598 0.759 . . . . 0.0 112.142 175.827 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 16' ' ' TYR . . . . . . . . . . . . . 79.0 t80 -65.27 -46.01 82.21 Favored 'General case' 0 CA--C 1.539 0.544 0 O-C-N 121.309 -0.87 . . . . 0.0 112.162 169.373 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 82.1 mt -62.93 -45.76 90.97 Favored 'General case' 0 N--CA 1.471 0.575 0 CA-C-N 119.237 0.926 . . . . 0.0 112.574 -179.259 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 18' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -73.33 -44.71 54.45 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.952 0 N-CA-C 112.815 0.672 . . . . 0.0 112.815 178.028 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 19' ' ' CYS . . . . . . . . . . . . . 11.3 t -122.43 -26.85 4.53 Favored 'General case' 0 N--CA 1.477 0.882 0 N-CA-C 115.567 1.691 . . . . 0.0 115.567 -165.125 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . -83.0 -45.36 6.69 Favored Glycine 0 N--CA 1.475 1.263 0 O-C-N 121.342 -0.849 . . . . 0.0 113.19 -176.632 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 36.2 tt0 -62.14 -37.29 84.63 Favored 'General case' 0 CA--C 1.54 0.591 0 C-N-CA 124.563 1.145 . . . . 0.0 112.184 -176.066 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 22' ' ' ARG . . . . . . . . . . . . . 4.1 ptp180 -64.5 -21.31 66.64 Favored 'General case' 0 N--CA 1.474 0.774 0 N-CA-C 113.877 1.066 . . . . 0.0 113.877 174.937 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . -88.69 -34.67 8.98 Favored Glycine 0 N--CA 1.472 1.061 0 C-N-CA 125.191 1.376 . . . . 0.0 112.748 173.949 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 24' ' ' HIS . . . . . . . . . . . . . 9.3 m-70 -73.76 -29.16 62.06 Favored 'General case' 0 CA--C 1.549 0.925 0 C-N-CA 124.654 1.182 . . . . 0.0 113.211 175.836 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 25' ' ' PHE . . . . . . . . . . . . . 77.3 t80 -63.51 146.44 53.64 Favored 'General case' 0 CA--C 1.542 0.64 0 C-N-CA 125.319 1.448 . . . . 0.0 112.495 176.966 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 26' ' ' TYR . . . . . . . . . . . . . 65.7 t80 -147.82 153.46 39.19 Favored 'General case' 0 CA--C 1.543 0.692 0 C-N-CA 126.023 1.729 . . . . 0.0 111.71 -178.674 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 27' ' ' THR . . . . . . . . . . . . . 21.2 p -120.48 99.06 48.11 Favored Pre-proline 0 N--CA 1.475 0.808 0 C-N-CA 125.95 1.7 . . . . 0.0 110.218 178.162 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 28' ' ' PRO . . . . . . . . . . . . . 72.3 Cg_exo -59.89 163.94 12.87 Favored 'Trans proline' 0 C--N 1.35 0.652 0 C-N-CA 124.145 3.23 . . . . 0.0 114.248 174.902 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 20.1 tptm -82.66 6.81 16.61 Favored 'General case' 0 CA--C 1.551 0.99 0 C-N-CA 124.958 1.303 . . . . 0.0 114.014 -179.968 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 30' ' ' THR . . . . . . . . . . . . . 25.0 m . . . . . 0 C--O 1.252 1.226 0 C-N-CA 127.661 2.384 . . . . 0.0 112.581 -178.203 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.483 1.807 0 N-CA-C 112.034 -0.426 . . . . 0.0 112.034 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 6.4 tp -58.3 -33.98 48.89 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.275 0 C-N-CA 125.634 1.573 . . . . 0.0 114.103 -171.995 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 92.7 t -62.69 -34.76 67.2 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.963 0 O-C-N 121.469 -0.769 . . . . 0.0 111.083 176.82 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 33.8 mm-40 -79.58 0.24 30.78 Favored 'General case' 0 CA--C 1.545 0.766 0 C-N-CA 123.855 0.862 . . . . 0.0 112.953 176.347 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 7.1 tp-100 -100.73 -55.17 2.65 Favored 'General case' 0 CA--C 1.538 0.509 0 C-N-CA 124.479 1.111 . . . . 0.0 109.89 168.289 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 58.6 m -92.46 -32.01 15.06 Favored 'General case' 0 N--CA 1.469 0.503 0 N-CA-C 115.86 1.8 . . . . 0.0 115.86 -168.435 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 17.8 t -76.46 -29.61 57.0 Favored 'General case' 0 N--CA 1.477 0.908 0 CA-C-N 119.472 1.033 . . . . 0.0 113.104 -179.137 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 7.3 t -87.22 -30.3 21.07 Favored 'General case' 0 N--CA 1.475 0.816 0 C-N-CA 125.151 1.38 . . . . 0.0 113.498 -177.331 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 72.1 m -150.37 170.31 19.34 Favored 'General case' 0 N--CA 1.473 0.697 0 C-N-CA 125.067 1.347 . . . . 0.0 112.057 -170.853 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 25.7 mm -55.96 129.05 17.05 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.836 0 O-C-N 121.332 -0.855 . . . . 0.0 109.762 169.138 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 15.9 p -124.25 152.51 42.9 Favored 'General case' 0 CA--C 1.536 0.436 0 CA-C-O 121.702 0.763 . . . . 0.0 112.316 168.099 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 26.4 m -116.81 153.14 32.98 Favored 'General case' 0 N--CA 1.47 0.548 0 C-N-CA 124.694 1.198 . . . . 0.0 112.2 -175.976 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 1.9 pt? -57.65 -40.88 80.32 Favored 'General case' 0 CA--C 1.53 0.193 0 O-C-N 121.449 -0.782 . . . . 0.0 111.898 -173.276 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 21.0 p90 -68.2 -12.86 61.68 Favored 'General case' 0 CA--C 1.536 0.435 0 C-N-CA 125.092 1.357 . . . . 0.0 114.35 -174.234 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 3.9 pt20 -116.77 -24.63 7.62 Favored 'General case' 0 C--O 1.222 -0.344 0 C-N-CA 124.445 1.098 . . . . 0.0 111.175 178.949 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -77.48 -26.8 51.63 Favored 'General case' 0 CA--C 1.547 0.863 0 CA-C-N 119.439 1.018 . . . . 0.0 111.613 174.473 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 22.0 mt-10 -52.76 -28.43 22.25 Favored 'General case' 0 N--CA 1.48 1.044 0 C-N-CA 124.493 1.117 . . . . 0.0 112.361 166.886 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 76.6 m-20 -61.7 -27.06 68.44 Favored 'General case' 0 CA--C 1.541 0.626 0 C-N-CA 123.215 0.606 . . . . 0.0 112.168 -177.166 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 67.8 m-85 -85.98 1.68 49.21 Favored 'General case' 0 CA--C 1.548 0.866 0 C-N-CA 126.625 1.97 . . . . 0.0 112.91 -179.674 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 18.8 t -68.97 -24.61 64.26 Favored 'General case' 0 CA--C 1.546 0.791 0 C-N-CA 125.366 1.466 . . . . 0.0 112.955 169.317 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 68.3 m-80 . . . . . 0 C--O 1.252 1.202 0 C-N-CA 125.744 1.618 . . . . 0.0 112.822 178.061 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' B' B ' 1' ' ' PHE . . . . . . . . . . . . . 42.1 t80 . . . . . 0 N--CA 1.487 1.382 0 CA-C-O 119.775 -0.155 . . . . 0.0 110.61 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' B' B ' 2' ' ' VAL . . . . . . . . . . . . . 89.8 t -130.14 124.23 57.68 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.043 0 C-N-CA 124.958 1.303 . . . . 0.0 108.459 171.306 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 3' ' ' ASN . . . . . . . . . . . . . 70.9 m-20 -69.33 118.29 12.03 Favored 'General case' 0 CA--C 1.535 0.399 0 C-N-CA 123.352 0.661 . . . . 0.0 109.522 175.995 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 4' ' ' GLN . . . . . . . . . . . . . 14.4 pt20 -159.89 178.82 9.36 Favored 'General case' 0 CA--C 1.535 0.371 0 C-N-CA 123.31 0.644 . . . . 0.0 111.658 -165.861 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 5' ' ' HIS . . . . . . . . . . . . . 66.6 m-70 -80.06 125.98 30.47 Favored 'General case' 0 CA--C 1.544 0.742 0 C-N-CA 123.822 0.849 . . . . 0.0 109.811 167.141 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 96.0 mt -128.28 132.26 48.71 Favored 'General case' 0 N--CA 1.471 0.588 0 C-N-CA 124.595 1.158 . . . . 0.0 110.561 -178.505 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 7' ' ' CYS . . . . . . . . . . . . . 2.4 t -160.87 154.17 21.73 Favored 'General case' 0 N--CA 1.468 0.464 0 C-N-CA 124.237 1.015 . . . . 0.0 111.428 -177.263 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 8' ' ' GLY . . . . . . . . . . . . . . . 62.88 -137.83 44.14 Favored Glycine 0 CA--C 1.528 0.892 0 N-CA-C 111.22 -0.752 . . . . 0.0 111.22 -174.156 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 9' ' ' SER . . . . . . . . . . . . . 22.2 m -54.41 -40.95 68.76 Favored 'General case' 0 N--CA 1.472 0.626 0 C-N-CA 124.143 0.977 . . . . 0.0 112.763 177.946 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 10' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -55.23 -37.43 67.15 Favored 'General case' 0 N--CA 1.474 0.736 0 C-N-CA 124.23 1.012 . . . . 0.0 113.039 -178.168 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 18.6 tp -70.47 -33.08 70.85 Favored 'General case' 0 CA--C 1.537 0.451 0 C-N-CA 124.612 1.165 . . . . 0.0 112.209 176.863 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 87.3 t -80.67 -35.82 15.25 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.831 0 C-N-CA 124.355 1.062 . . . . 0.0 109.398 -176.782 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 2.4 mt-10 -53.29 -54.69 32.63 Favored 'General case' 0 N--CA 1.451 -0.394 0 C-N-CA 125.617 1.567 . . . . 0.0 110.576 163.553 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -58.26 -50.43 73.59 Favored 'General case' 0 N--CA 1.454 -0.268 0 CA-C-O 118.503 -0.76 . . . . 0.0 111.642 -179.793 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 4.1 mm? -58.04 -36.82 73.28 Favored 'General case' 0 N--CA 1.466 0.374 0 CA-C-N 119.442 1.019 . . . . 0.0 111.97 176.807 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 16' ' ' TYR . . . . . . . . . . . . . 86.9 t80 -62.28 -41.08 98.18 Favored 'General case' 0 N--CA 1.469 0.521 0 CA-C-N 120.636 1.562 . . . . 0.0 112.304 170.804 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 19.3 mt -71.17 -41.0 70.92 Favored 'General case' 0 CA--C 1.54 0.576 0 C-N-CA 124.184 0.993 . . . . 0.0 112.766 -176.788 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 18' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -91.16 -39.75 11.99 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.473 0 N-CA-C 113.323 0.86 . . . . 0.0 113.323 -179.491 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 19' ' ' CYS . . . . . . . . . . . . . 41.8 t -101.1 -44.79 5.59 Favored 'General case' 0 N--CA 1.472 0.663 0 C-N-CA 123.872 0.869 . . . . 0.0 112.3 -175.919 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . -73.55 -32.17 59.92 Favored Glycine 0 N--CA 1.474 1.226 0 CA-C-N 118.625 0.648 . . . . 0.0 113.479 -172.517 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 30.8 tt0 -68.07 -23.0 64.9 Favored 'General case' 0 CA--C 1.544 0.743 0 C-N-CA 124.708 1.203 . . . . 0.0 112.368 174.045 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 22' ' ' ARG . . . . . . . . . . . . . 76.5 mtp180 -93.15 -49.69 5.87 Favored 'General case' 0 N--CA 1.471 0.599 0 C-N-CA 124.884 1.274 . . . . 0.0 112.414 176.174 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . -100.33 97.42 1.73 Allowed Glycine 0 N--CA 1.47 0.946 0 C-N-CA 125.635 1.588 . . . . 0.0 111.627 -178.166 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 24' ' ' HIS . . . . . . . . . . . . . 17.1 m170 -80.71 -16.83 52.9 Favored 'General case' 0 CA--C 1.548 0.892 0 N-CA-C 114.296 1.221 . . . . 0.0 114.296 -172.666 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 25' ' ' PHE . . . . . . . . . . . . . 72.0 t80 -163.13 155.24 18.11 Favored 'General case' 0 CA--C 1.54 0.569 0 C-N-CA 126.532 1.933 . . . . 0.0 110.981 -176.661 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 26' ' ' TYR . . . . . . . . . . . . . 71.1 t80 -143.72 148.44 35.69 Favored 'General case' 0 CA--C 1.541 0.62 0 C-N-CA 125.578 1.551 . . . . 0.0 112.085 -179.635 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 27' ' ' THR . . . . . . . . . . . . . 26.1 p -117.46 112.41 39.26 Favored Pre-proline 0 N--CA 1.474 0.752 0 C-N-CA 125.873 1.669 . . . . 0.0 109.677 176.831 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 28' ' ' PRO . . . . . . . . . . . . . 93.3 Cg_endo -79.14 154.58 25.36 Favored 'Trans proline' 0 C--N 1.35 0.611 0 C-N-CA 123.084 2.523 . . . . 0.0 111.52 179.844 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 26.4 ttpt 67.23 12.3 8.86 Favored 'General case' 0 CA--C 1.552 1.053 0 C-N-CA 126.202 1.801 . . . . 0.0 114.794 175.206 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 30' ' ' THR . . . . . . . . . . . . . 89.6 m . . . . . 0 C--O 1.253 1.281 0 C-N-CA 126.413 1.885 . . . . 0.0 111.444 174.982 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.482 1.754 0 N-CA-C 112.326 -0.31 . . . . 0.0 112.326 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 6.8 tp -56.49 -38.61 57.17 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.244 0 C-N-CA 125.62 1.568 . . . . 0.0 113.781 -171.898 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 87.2 t -62.23 -32.52 55.04 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.904 0 C-N-CA 123.757 0.823 . . . . 0.0 111.101 178.519 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 36.9 mt-10 -81.58 -1.32 45.96 Favored 'General case' 0 CA--C 1.546 0.806 0 C-N-CA 124.17 0.988 . . . . 0.0 112.752 177.549 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 40.1 tp60 -104.26 -43.79 5.13 Favored 'General case' 0 CA--C 1.537 0.463 0 C-N-CA 124.236 1.014 . . . . 0.0 111.016 170.552 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 69.2 m -100.31 -34.82 9.83 Favored 'General case' 0 N--CA 1.472 0.649 0 N-CA-C 115.893 1.812 . . . . 0.0 115.893 -172.193 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 14.7 t -77.48 -26.27 51.18 Favored 'General case' 0 N--CA 1.48 1.038 0 O-C-N 120.849 -1.157 . . . . 0.0 113.37 -177.703 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 4.8 t -95.92 -19.28 19.66 Favored 'General case' 0 N--CA 1.475 0.804 0 C-N-CA 125.764 1.626 . . . . 0.0 113.716 -178.276 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 22.0 p -158.92 166.3 32.15 Favored 'General case' 0 N--CA 1.473 0.704 0 C-N-CA 124.818 1.247 . . . . 0.0 112.702 -169.958 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 23.6 mm -62.02 121.21 9.93 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.798 0 O-C-N 121.23 -0.919 . . . . 0.0 108.981 170.668 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 29.0 p -108.51 146.75 32.73 Favored 'General case' 0 N--CA 1.468 0.433 0 C-N-CA 123.302 0.641 . . . . 0.0 111.814 171.195 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 50.0 m -96.03 151.24 19.63 Favored 'General case' 0 N--CA 1.471 0.607 0 CA-C-O 121.483 0.658 . . . . 0.0 112.32 177.562 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 1.7 pt? -59.46 -39.1 82.58 Favored 'General case' 0 N--CA 1.464 0.241 0 O-C-N 121.421 -0.799 . . . . 0.0 112.557 -173.479 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 26.5 p90 -70.64 -13.69 62.18 Favored 'General case' 0 CA--C 1.536 0.432 0 C-N-CA 124.914 1.286 . . . . 0.0 114.11 -174.907 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 3.6 pt20 -113.11 -33.45 6.01 Favored 'General case' 0 N--CA 1.465 0.304 0 C-N-CA 124.048 0.939 . . . . 0.0 110.811 -179.266 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -66.69 -35.86 81.13 Favored 'General case' 0 CA--C 1.538 0.505 0 CA-C-N 119.024 0.829 . . . . 0.0 111.068 177.964 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -76.31 -16.55 59.74 Favored 'General case' 0 CA--C 1.533 0.291 0 N-CA-C 113.022 0.749 . . . . 0.0 113.022 -179.371 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 1.1 t-20 -57.76 -29.88 65.16 Favored 'General case' 0 CA--C 1.544 0.744 0 C-N-CA 124.049 0.939 . . . . 0.0 112.406 171.038 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 95.4 m-85 -77.44 -5.8 51.15 Favored 'General case' 0 CA--C 1.545 0.764 0 C-N-CA 125.83 1.652 . . . . 0.0 113.713 177.35 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 12.4 t -69.89 -24.1 63.35 Favored 'General case' 0 CA--C 1.545 0.759 0 C-N-CA 124.156 0.982 . . . . 0.0 113.123 175.68 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 68.2 m-80 . . . . . 0 C--O 1.254 1.318 0 C-N-CA 125.766 1.626 . . . . 0.0 112.994 179.726 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' B' B ' 1' ' ' PHE . . . . . . . . . . . . . 43.3 t80 . . . . . 0 N--CA 1.487 1.42 0 CA-C-O 119.576 -0.249 . . . . 0.0 110.729 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' B' B ' 2' ' ' VAL . . . . . . . . . . . . . 95.6 t -129.56 117.68 43.05 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.981 0 C-N-CA 124.843 1.257 . . . . 0.0 109.187 173.407 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 3' ' ' ASN . . . . . . . . . . . . . 71.7 m-20 -61.69 124.02 19.55 Favored 'General case' 0 C--O 1.235 0.331 0 C-N-CA 123.088 0.555 . . . . 0.0 110.243 168.53 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 4' ' ' GLN . . . . . . . . . . . . . 10.4 pt20 -160.45 -179.84 8.01 Favored 'General case' 0 CA--C 1.533 0.306 0 C-N-CA 123.78 0.832 . . . . 0.0 110.813 -171.323 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 5' ' ' HIS . . . . . . . . . . . . . 74.9 m-70 -81.44 125.99 31.11 Favored 'General case' 0 CA--C 1.542 0.644 0 C-N-CA 123.741 0.816 . . . . 0.0 109.861 168.76 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 78.3 mt -133.97 135.53 43.56 Favored 'General case' 0 N--CA 1.471 0.606 0 C-N-CA 124.818 1.247 . . . . 0.0 110.677 -174.297 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 7' ' ' CYS . . . . . . . . . . . . . 1.7 t -156.94 146.8 20.8 Favored 'General case' 0 N--CA 1.468 0.465 0 C-N-CA 123.757 0.823 . . . . 0.0 111.331 -177.346 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 8' ' ' GLY . . . . . . . . . . . . . . . 58.76 -128.18 47.03 Favored Glycine 0 CA--C 1.531 1.052 0 C-N-CA 124.059 0.837 . . . . 0.0 112.578 -179.903 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 9' ' ' SER . . . . . . . . . . . . . 20.6 m -54.62 -39.29 67.78 Favored 'General case' 0 N--CA 1.471 0.609 0 C-N-CA 124.384 1.074 . . . . 0.0 112.692 178.297 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 10' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -62.62 -36.12 81.74 Favored 'General case' 0 CA--C 1.543 0.678 0 O-C-N 121.228 -0.92 . . . . 0.0 112.518 177.182 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 16.5 tp -72.0 -44.59 63.22 Favored 'General case' 0 CA--C 1.536 0.432 0 C-N-CA 124.563 1.145 . . . . 0.0 110.87 177.724 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 92.8 t -59.66 -43.19 90.71 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.013 0 C-N-CA 124.084 0.953 . . . . 0.0 111.229 173.141 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 24.7 mt-10 -59.17 -47.21 86.15 Favored 'General case' 0 CA--C 1.533 0.319 0 C-N-CA 123.897 0.879 . . . . 0.0 111.968 173.26 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -61.36 -45.5 94.14 Favored 'General case' 0 CA--C 1.534 0.33 0 CA-C-N 119.466 1.03 . . . . 0.0 112.435 178.333 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 3.6 mm? -57.66 -37.52 73.53 Favored 'General case' 0 N--CA 1.469 0.523 0 CA-C-N 118.783 0.719 . . . . 0.0 111.73 175.341 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 16' ' ' TYR . . . . . . . . . . . . . 71.6 t80 -62.47 -45.51 92.7 Favored 'General case' 0 CA--C 1.536 0.424 0 CA-C-N 119.125 0.875 . . . . 0.0 111.656 172.372 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 97.6 mt -62.97 -49.88 72.96 Favored 'General case' 0 CA--C 1.533 0.302 0 CA-C-O 118.746 -0.645 . . . . 0.0 111.908 178.719 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 18' ' ' VAL . . . . . . . . . . . . . 0.1 OUTLIER -80.73 -37.39 16.43 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.089 0 N-CA-C 113.607 0.965 . . . . 0.0 113.607 -174.859 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 19' ' ' CYS . . . . . . . . . . . . . 47.7 t -105.79 -36.43 7.03 Favored 'General case' 0 N--CA 1.471 0.619 0 N-CA-C 113.507 0.929 . . . . 0.0 113.507 -171.405 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . -81.66 -50.43 4.99 Favored Glycine 0 CA--C 1.531 1.081 0 C-N-CA 124.103 0.859 . . . . 0.0 112.787 -176.254 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 8.4 tp10 -77.66 -45.9 23.61 Favored 'General case' 0 CA--C 1.543 0.69 0 C-N-CA 124.794 1.237 . . . . 0.0 111.744 -178.819 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 22' ' ' ARG . . . . . . . . . . . . . 66.6 mtt180 42.95 48.85 5.17 Favored 'General case' 0 CA--C 1.548 0.882 0 C-N-CA 126.425 1.89 . . . . 0.0 114.203 -178.909 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . -96.82 -63.93 0.92 Allowed Glycine 0 N--CA 1.474 1.183 0 C-N-CA 125.346 1.451 . . . . 0.0 111.475 174.566 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 24' ' ' HIS . . . . . . . . . . . . . 15.3 p80 -68.17 -20.17 64.85 Favored 'General case' 0 CA--C 1.552 1.037 0 C-N-CA 125.018 1.327 . . . . 0.0 114.177 176.804 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 25' ' ' PHE . . . . . . . . . . . . . 67.1 t80 -135.68 148.46 48.92 Favored 'General case' 0 CA--C 1.537 0.468 0 C-N-CA 126.619 1.968 . . . . 0.0 110.152 179.264 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 26' ' ' TYR . . . . . . . . . . . . . 77.4 t80 -145.75 147.93 32.44 Favored 'General case' 0 CA--C 1.54 0.594 0 C-N-CA 124.813 1.245 . . . . 0.0 112.035 -179.471 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 27' ' ' THR . . . . . . . . . . . . . 14.0 p -100.25 113.11 65.25 Favored Pre-proline 0 N--CA 1.472 0.641 0 C-N-CA 125.585 1.554 . . . . 0.0 109.887 177.125 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 28' ' ' PRO . . . . . . . . . . . . . 75.0 Cg_endo -76.92 144.84 24.57 Favored 'Trans proline' 0 N--CA 1.457 -0.621 0 C-N-CA 122.484 2.123 . . . . 0.0 110.362 177.969 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 21.8 pttm -173.72 162.7 4.11 Favored 'General case' 0 CA--C 1.545 0.756 0 C-N-CA 126.348 1.859 . . . . 0.0 112.752 -164.642 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 30' ' ' THR . . . . . . . . . . . . . 13.1 t . . . . . 0 C--O 1.254 1.323 0 C-N-CA 125.178 1.391 . . . . 0.0 112.648 176.785 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.636 0 N-CA-C 111.768 -0.533 . . . . 0.0 111.768 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 7.4 tp -52.02 -31.71 14.27 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.362 0 C-N-CA 125.883 1.673 . . . . 0.0 114.474 -172.172 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 70.7 t -57.3 -40.97 77.19 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.849 0 C-N-CA 124.235 1.014 . . . . 0.0 111.373 179.025 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 4.0 pt-20 -77.75 0.71 22.57 Favored 'General case' 0 N--CA 1.474 0.757 0 CA-C-N 119.189 0.904 . . . . 0.0 113.344 -179.824 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 15.7 tp60 -104.95 -52.64 2.81 Favored 'General case' 0 CA--C 1.537 0.477 0 C-N-CA 124.209 1.004 . . . . 0.0 110.998 167.711 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 1.5 t -98.88 -22.87 15.59 Favored 'General case' 0 N--CA 1.473 0.708 0 N-CA-C 115.58 1.696 . . . . 0.0 115.58 -166.682 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 14.6 t -73.92 -26.24 60.41 Favored 'General case' 0 N--CA 1.478 0.939 0 O-C-N 121.008 -1.058 . . . . 0.0 112.768 171.217 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 6.4 t -94.87 -34.11 12.56 Favored 'General case' 0 N--CA 1.473 0.686 0 C-N-CA 125.445 1.498 . . . . 0.0 113.181 -179.021 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 58.6 m -143.28 174.64 10.55 Favored 'General case' 0 CA--C 1.546 0.804 0 C-N-CA 125.231 1.412 . . . . 0.0 112.208 -173.618 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 22.8 mm -59.81 133.91 25.13 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.963 0 O-C-N 120.71 -1.244 . . . . 0.0 109.506 168.829 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 20.1 p -115.17 143.24 45.53 Favored 'General case' 0 N--CA 1.47 0.572 0 CA-C-O 121.697 0.76 . . . . 0.0 112.006 159.469 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 13.3 m -92.85 151.85 19.75 Favored 'General case' 0 N--CA 1.468 0.447 0 C-N-CA 124.133 0.973 . . . . 0.0 111.842 175.23 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . 0.404 ' H ' HD22 ' A' ' 13' ' ' LEU . 1.6 pt? -57.15 -42.33 80.83 Favored 'General case' 0 N--CA 1.465 0.277 0 O-C-N 121.407 -0.808 . . . . 0.0 111.815 -174.136 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 22.1 p90 -67.02 -14.25 62.72 Favored 'General case' 0 CA--C 1.537 0.458 0 N-CA-C 114.566 1.321 . . . . 0.0 114.566 -176.068 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 4.0 pt20 -114.39 -29.7 6.8 Favored 'General case' 0 N--CA 1.466 0.364 0 C-N-CA 123.747 0.819 . . . . 0.0 110.683 -179.558 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -68.32 -34.29 75.85 Favored 'General case' 0 CA--C 1.549 0.93 0 CA-C-N 119.336 0.971 . . . . 0.0 110.893 173.252 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 16.0 mt-10 -47.75 -38.96 16.55 Favored 'General case' 0 N--CA 1.478 0.926 0 C-N-CA 126.053 1.741 . . . . 0.0 112.586 171.203 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 8.4 m-80 -68.39 -8.53 41.12 Favored 'General case' 0 CA--C 1.545 0.777 0 C-N-CA 124.427 1.091 . . . . 0.0 113.763 -175.021 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 89.3 m-85 -97.72 -4.16 37.71 Favored 'General case' 0 CA--C 1.544 0.723 0 C-N-CA 125.594 1.558 . . . . 0.0 113.85 175.803 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 45.3 t -67.91 -33.18 74.21 Favored 'General case' 0 N--CA 1.474 0.738 0 O-C-N 121.27 -0.894 . . . . 0.0 113.09 178.522 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--O 1.253 1.261 0 C-N-CA 125.883 1.673 . . . . 0.0 113.24 178.002 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 1' ' ' PHE . . . . . . . . . . . . . 53.0 t80 . . . . . 0 N--CA 1.486 1.368 0 N-CA-C 110.757 -0.09 . . . . 0.0 110.757 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' B' B ' 2' ' ' VAL . . . . . . . . . . . . . 11.2 p -144.26 131.5 16.88 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.868 0 C-N-CA 124.871 1.268 . . . . 0.0 109.045 166.486 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 3' ' ' ASN . . . . . . . . . . . . . 70.1 m-20 -61.82 118.86 7.74 Favored 'General case' 0 CA--C 1.534 0.36 0 N-CA-C 109.499 -0.556 . . . . 0.0 109.499 173.595 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 4' ' ' GLN . . . . . . . . . . . . . 25.5 pt20 -155.45 178.4 10.28 Favored 'General case' 0 CA--C 1.533 0.296 0 CA-C-O 121.488 0.661 . . . . 0.0 111.211 -170.299 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 5' ' ' HIS . . . . . . . . . . . . . 73.3 m-70 -82.86 131.57 35.19 Favored 'General case' 0 CA--C 1.543 0.709 0 C-N-CA 124.176 0.99 . . . . 0.0 110.065 169.938 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 79.6 mt -140.76 137.61 33.53 Favored 'General case' 0 N--CA 1.471 0.582 0 C-N-CA 124.768 1.227 . . . . 0.0 110.889 -172.603 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 7' ' ' CYS . . . . . . . . . . . . . 2.1 t -155.93 146.72 22.09 Favored 'General case' 0 N--CA 1.469 0.523 0 O-C-N 121.619 -0.676 . . . . 0.0 111.831 179.589 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 8' ' ' GLY . . . . . . . . . . . . . . . 59.62 -127.16 43.95 Favored Glycine 0 N--CA 1.471 0.972 0 C-N-CA 123.986 0.803 . . . . 0.0 112.344 -179.983 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 9' ' ' SER . . . . . . . . . . . . . 20.3 m -53.87 -38.65 64.96 Favored 'General case' 0 N--CA 1.47 0.546 0 C-N-CA 124.595 1.158 . . . . 0.0 112.819 178.111 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 10' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -63.74 -35.3 80.13 Favored 'General case' 0 CA--C 1.543 0.701 0 O-C-N 121.257 -0.902 . . . . 0.0 112.543 177.288 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 14.1 tp -75.13 -41.76 57.73 Favored 'General case' 0 CA--C 1.537 0.46 0 C-N-CA 124.359 1.063 . . . . 0.0 111.029 178.268 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 92.2 t -60.1 -42.94 91.7 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.109 0 C-N-CA 124.044 0.938 . . . . 0.0 111.312 171.155 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 22.2 mt-10 -58.43 -48.37 80.91 Favored 'General case' 0 N--CA 1.465 0.29 0 C-N-CA 123.604 0.762 . . . . 0.0 111.66 171.923 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -58.83 -47.34 85.15 Favored 'General case' 0 CA--C 1.535 0.392 0 CA-C-N 119.582 1.083 . . . . 0.0 112.34 178.512 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 3.9 mm? -56.07 -36.73 68.4 Favored 'General case' 0 N--CA 1.472 0.657 0 C-N-CA 123.551 0.74 . . . . 0.0 112.068 175.85 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 16' ' ' TYR . . . . . . . . . . . . . 85.5 t80 -63.38 -43.11 98.54 Favored 'General case' 0 CA--C 1.539 0.528 0 O-C-N 121.371 -0.83 . . . . 0.0 112.275 171.052 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 83.7 mt -66.02 -50.93 62.5 Favored 'General case' 0 CA--C 1.541 0.603 0 CA-C-N 118.87 0.759 . . . . 0.0 111.961 179.742 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 18' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -70.09 -45.27 76.78 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.112 0 N-CA-C 112.576 0.584 . . . . 0.0 112.576 -178.774 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 19' ' ' CYS . . . . . . . . . . . . . 15.9 t -116.58 -33.4 4.89 Favored 'General case' 0 N--CA 1.472 0.635 0 N-CA-C 114.212 1.19 . . . . 0.0 114.212 -166.391 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . -73.69 -46.17 25.44 Favored Glycine 0 N--CA 1.474 1.175 0 C-N-CA 123.934 0.778 . . . . 0.0 112.723 -176.282 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 47.0 mt-10 -75.5 -51.77 12.22 Favored 'General case' 0 CA--C 1.536 0.414 0 C-N-CA 125.022 1.329 . . . . 0.0 111.175 172.895 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 22' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 66.83 -25.78 0.11 Allowed 'General case' 0 CA--C 1.546 0.814 0 C-N-CA 128.694 2.798 . . . . 0.0 114.917 178.205 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . -98.79 -144.71 17.32 Favored Glycine 0 CA--C 1.531 1.046 0 C-N-CA 126.785 2.136 . . . . 0.0 111.666 169.903 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 24' ' ' HIS . . . . . . . . . . . . . 30.9 p80 -66.82 162.11 22.3 Favored 'General case' 0 CA--C 1.552 1.027 0 N-CA-C 113.738 1.014 . . . . 0.0 113.738 174.643 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 25' ' ' PHE . . . . . . . . . . . . . 80.3 t80 -71.47 120.55 17.21 Favored 'General case' 0 CA--C 1.538 0.485 0 C-N-CA 124.33 1.052 . . . . 0.0 110.979 173.576 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 26' ' ' TYR . . . . . . . . . . . . . 54.6 t80 -77.55 147.65 35.63 Favored 'General case' 0 CA--C 1.542 0.651 0 C-N-CA 123.641 0.777 . . . . 0.0 112.764 177.558 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 27' ' ' THR . . . . . . . . . . . . . 20.9 p -121.27 100.72 44.88 Favored Pre-proline 0 N--CA 1.472 0.675 0 C-N-CA 125.972 1.709 . . . . 0.0 109.446 176.424 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 28' ' ' PRO . . . . . . . . . . . . . 87.4 Cg_exo -57.07 155.4 28.8 Favored 'Trans proline' 0 C--N 1.351 0.704 0 C-N-CA 124.185 3.257 . . . . 0.0 114.466 178.612 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 96.4 mttt -87.18 15.57 6.07 Favored 'General case' 0 CA--C 1.549 0.93 0 C-N-CA 125.224 1.41 . . . . 0.0 113.854 -175.217 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 30' ' ' THR . . . . . . . . . . . . . 20.3 m . . . . . 0 C--O 1.255 1.344 0 C-N-CA 127.533 2.333 . . . . 0.0 112.575 -178.295 . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.476 1.341 0 N-CA-C 111.683 -0.567 . . . . 0.0 111.683 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 8.4 tp -68.68 -36.98 76.89 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.024 0 N-CA-C 114.551 1.315 . . . . 0.0 114.551 -171.303 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 77.3 t -70.2 -45.85 74.22 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.073 0 CA-C-N 119.506 1.048 . . . . 0.0 110.448 -175.517 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -81.37 18.79 1.07 Allowed 'General case' 0 CA--C 1.548 0.886 0 N-CA-C 113.042 0.756 . . . . 0.0 113.042 172.315 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 8.1 tp-100 -107.87 -60.5 1.7 Allowed 'General case' 0 CA--C 1.54 0.595 0 C-N-CA 124.437 1.095 . . . . 0.0 109.532 159.175 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 54.3 m -86.37 -31.32 21.56 Favored 'General case' 0 N--CA 1.469 0.52 0 N-CA-C 115.714 1.746 . . . . 0.0 115.714 -169.802 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 36.9 t -82.36 -27.13 32.32 Favored 'General case' 0 N--CA 1.476 0.833 0 CA-C-N 119.775 1.17 . . . . 0.0 113.083 -179.694 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 10.6 t -84.54 -33.46 23.47 Favored 'General case' 0 N--CA 1.476 0.845 0 C-N-CA 124.653 1.181 . . . . 0.0 112.987 178.713 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 60.2 m -146.11 169.24 19.1 Favored 'General case' 0 CA--C 1.544 0.728 0 C-N-CA 125.083 1.353 . . . . 0.0 112.266 -172.985 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 23.5 mm -56.44 131.52 19.98 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.894 0 O-C-N 121.141 -0.975 . . . . 0.0 110.019 171.215 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 14.0 p -129.04 158.07 39.93 Favored 'General case' 0 N--CA 1.469 0.48 0 CA-C-O 121.626 0.727 . . . . 0.0 112.682 168.34 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 23.0 m -119.01 154.14 33.55 Favored 'General case' 0 N--CA 1.47 0.537 0 C-N-CA 124.777 1.231 . . . . 0.0 112.609 -173.744 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 1.9 pt? -59.25 -40.02 84.67 Favored 'General case' 0 N--CA 1.463 0.218 0 O-C-N 121.42 -0.8 . . . . 0.0 112.18 -173.499 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 19.0 p90 -68.54 -13.41 62.31 Favored 'General case' 0 CA--C 1.535 0.394 0 C-N-CA 125.049 1.339 . . . . 0.0 114.144 -174.035 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 3.8 pt20 -111.43 -38.62 4.9 Favored 'General case' 0 C--O 1.223 -0.336 0 C-N-CA 124.175 0.99 . . . . 0.0 109.428 176.859 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -65.21 -27.37 68.63 Favored 'General case' 0 CA--C 1.549 0.907 0 CA-C-N 120.276 1.398 . . . . 0.0 112.679 -178.021 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 30.9 mt-10 -48.43 -37.93 18.43 Favored 'General case' 0 N--CA 1.481 1.082 0 C-N-CA 124.457 1.103 . . . . 0.0 112.444 168.813 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 26.8 m-80 -65.61 -21.22 66.56 Favored 'General case' 0 CA--C 1.542 0.638 0 C-N-CA 124.341 1.056 . . . . 0.0 113.028 -170.237 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 61.0 m-85 -87.82 -9.74 52.97 Favored 'General case' 0 CA--C 1.541 0.632 0 C-N-CA 125.998 1.719 . . . . 0.0 113.296 -178.304 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 16.9 t -70.8 -26.13 63.18 Favored 'General case' 0 CA--C 1.544 0.746 0 C-N-CA 123.896 0.879 . . . . 0.0 113.082 176.906 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 C--O 1.252 1.229 0 C-N-CA 126.172 1.789 . . . . 0.0 111.866 177.026 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 1' ' ' PHE . . . . . . . . . . . . . 41.3 t80 . . . . . 0 N--CA 1.485 1.321 0 N-CA-C 110.244 -0.28 . . . . 0.0 110.244 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' B' B ' 2' ' ' VAL . . . . . . . . . . . . . 86.7 t -129.51 122.56 55.67 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.995 0 C-N-CA 124.738 1.215 . . . . 0.0 108.419 171.585 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 3' ' ' ASN . . . . . . . . . . . . . 68.8 m-20 -67.88 119.7 12.99 Favored 'General case' 0 CA--C 1.536 0.408 0 C-N-CA 123.444 0.698 . . . . 0.0 109.448 175.97 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 4' ' ' GLN . . . . . . . . . . . . . 12.0 pt20 -158.66 179.23 9.3 Favored 'General case' 0 CA--C 1.534 0.351 0 C-N-CA 123.222 0.609 . . . . 0.0 112.104 -165.09 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 5' ' ' HIS . . . . . . . . . . . . . 68.8 m-70 -81.64 128.82 34.35 Favored 'General case' 0 CA--C 1.546 0.816 0 C-N-CA 124.098 0.959 . . . . 0.0 110.383 167.635 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 92.4 mt -131.58 126.83 35.79 Favored 'General case' 0 N--CA 1.47 0.553 0 C-N-CA 125.235 1.414 . . . . 0.0 110.77 -176.857 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 7' ' ' CYS . . . . . . . . . . . . . 66.6 m -134.97 144.32 47.34 Favored 'General case' 0 N--CA 1.471 0.592 0 C-N-CA 125.242 1.417 . . . . 0.0 110.431 -179.725 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 8' ' ' GLY . . . . . . . . . . . . . . . 54.79 -122.99 27.5 Favored Glycine 0 N--CA 1.474 1.175 0 C-N-CA 124.057 0.837 . . . . 0.0 113.304 170.157 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 9' ' ' SER . . . . . . . . . . . . . 20.3 m -54.35 -39.95 67.6 Favored 'General case' 0 N--CA 1.47 0.537 0 C-N-CA 124.447 1.099 . . . . 0.0 112.802 178.269 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 10' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -63.47 -38.42 91.07 Favored 'General case' 0 CA--C 1.541 0.613 0 O-C-N 121.261 -0.899 . . . . 0.0 112.242 176.676 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 17.4 tp -70.36 -44.68 67.6 Favored 'General case' 0 CA--C 1.536 0.426 0 C-N-CA 124.282 1.033 . . . . 0.0 110.951 177.655 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 75.7 t -59.92 -44.0 93.45 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.968 0 C-N-CA 124.249 1.02 . . . . 0.0 111.289 173.854 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 21.6 mt-10 -58.99 -45.07 91.52 Favored 'General case' 0 N--CA 1.468 0.451 0 C-N-CA 123.999 0.92 . . . . 0.0 112.169 173.918 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -61.64 -49.25 77.31 Favored 'General case' 0 CA--C 1.533 0.319 0 CA-C-N 118.91 0.777 . . . . 0.0 111.563 176.655 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 3.8 mm? -55.35 -38.77 69.22 Favored 'General case' 0 N--CA 1.469 0.521 0 CA-C-N 118.792 0.724 . . . . 0.0 112.06 176.78 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 16' ' ' TYR . . . . . . . . . . . . . 68.6 t80 -60.53 -45.57 93.38 Favored 'General case' 0 CA--C 1.535 0.366 0 CA-C-N 118.995 0.816 . . . . 0.0 112.089 171.896 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 95.9 mt -65.78 -48.52 71.51 Favored 'General case' 0 CA--C 1.537 0.454 0 CA-C-N 118.955 0.798 . . . . 0.0 112.19 179.445 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 18' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -79.02 -32.87 15.56 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.374 0 N-CA-C 113.563 0.949 . . . . 0.0 113.563 -175.265 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 19' ' ' CYS . . . . . . . . . . . . . 15.3 t -116.56 -26.77 6.94 Favored 'General case' 0 CA--C 1.543 0.691 0 N-CA-C 115.342 1.608 . . . . 0.0 115.342 -171.86 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . -86.08 -72.29 1.29 Allowed Glycine 0 N--CA 1.474 1.169 0 C-N-CA 124.358 0.98 . . . . 0.0 111.212 176.428 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 8.9 tp10 -66.51 -27.91 68.15 Favored 'General case' 0 CA--C 1.544 0.75 0 C-N-CA 126.487 1.915 . . . . 0.0 112.324 174.527 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 22' ' ' ARG . . . . . . . . . . . . . 51.5 mtm180 48.85 44.99 22.37 Favored 'General case' 0 CA--C 1.543 0.679 0 C-N-CA 126.648 1.979 . . . . 0.0 112.187 -175.352 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . -175.6 162.2 31.42 Favored Glycine 0 CA--C 1.529 0.933 0 C-N-CA 126.142 1.83 . . . . 0.0 113.067 -176.367 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 24' ' ' HIS . . . . . . . . . . . . . 93.6 m-70 -66.37 155.38 37.52 Favored 'General case' 0 CA--C 1.549 0.91 0 N-CA-C 113.728 1.011 . . . . 0.0 113.728 -176.283 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 25' ' ' PHE . . . . . . . . . . . . . 76.7 t80 -65.07 146.49 54.94 Favored 'General case' 0 CA--C 1.541 0.63 0 C-N-CA 124.137 0.975 . . . . 0.0 112.356 177.968 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 26' ' ' TYR . . . . . . . . . . . . . 65.7 t80 -149.36 150.45 32.48 Favored 'General case' 0 CA--C 1.542 0.665 0 C-N-CA 125.919 1.688 . . . . 0.0 111.737 -178.342 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 27' ' ' THR . . . . . . . . . . . . . 20.6 p -118.54 110.97 38.32 Favored Pre-proline 0 N--CA 1.474 0.764 0 C-N-CA 125.913 1.685 . . . . 0.0 109.625 176.72 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 28' ' ' PRO . . . . . . . . . . . . . 86.7 Cg_endo -76.77 158.37 35.23 Favored 'Trans proline' 0 C--N 1.349 0.595 0 C-N-CA 123.155 2.57 . . . . 0.0 111.891 -178.115 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 57.2 mtmt -90.44 14.47 12.91 Favored 'General case' 0 CA--C 1.547 0.862 0 C-N-CA 124.808 1.243 . . . . 0.0 114.053 -175.933 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 30' ' ' THR . . . . . . . . . . . . . 32.4 p . . . . . 0 C--O 1.253 1.256 0 C-N-CA 127.182 2.193 . . . . 0.0 112.986 -177.525 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.482 1.71 0 CA-C-O 121.208 0.338 . . . . 0.0 112.884 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 8.5 tp -67.45 -42.09 86.79 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.13 0 C-N-CA 125.223 1.409 . . . . 0.0 114.188 -172.338 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 84.8 t -65.48 -46.1 90.88 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.159 0 C-N-CA 123.574 0.75 . . . . 0.0 110.664 -175.725 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 17.7 pt-20 -70.86 7.47 1.15 Allowed 'General case' 0 CA--C 1.545 0.752 0 N-CA-C 113.727 1.01 . . . . 0.0 113.727 176.711 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 23.7 mm-40 -114.83 -65.9 1.14 Allowed 'General case' 0 CA--C 1.538 0.484 0 C-N-CA 124.582 1.153 . . . . 0.0 110.208 166.108 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 63.0 m -71.74 -27.94 63.33 Favored 'General case' 0 N--CA 1.473 0.718 0 N-CA-C 115.236 1.569 . . . . 0.0 115.236 -171.642 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 47.2 t -82.26 -32.32 29.68 Favored 'General case' 0 N--CA 1.476 0.855 0 CA-C-N 119.371 0.987 . . . . 0.0 113.444 178.641 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 12.4 t -86.39 -28.51 23.55 Favored 'General case' 0 N--CA 1.477 0.91 0 C-N-CA 124.179 0.992 . . . . 0.0 112.756 179.475 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 90.4 p -151.43 168.23 25.49 Favored 'General case' 0 N--CA 1.468 0.445 0 C-N-CA 124.177 0.991 . . . . 0.0 112.837 -179.791 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 12.9 mt -75.24 121.4 26.79 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.277 0 O-C-N 121.308 -0.87 . . . . 0.0 111.115 -175.662 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 28.6 p -107.35 152.32 24.31 Favored 'General case' 0 CA--C 1.538 0.51 0 C-N-CA 124.984 1.313 . . . . 0.0 111.586 175.632 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 59.3 m -97.91 152.79 18.86 Favored 'General case' 0 N--CA 1.471 0.58 0 C-N-CA 123.955 0.902 . . . . 0.0 112.233 176.877 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 1.9 pt? -59.25 -39.87 84.19 Favored 'General case' 0 CA--C 1.53 0.191 0 O-C-N 121.457 -0.777 . . . . 0.0 112.373 -174.267 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 22.4 p90 -68.78 -17.43 64.03 Favored 'General case' 0 CA--C 1.535 0.384 0 C-N-CA 124.503 1.121 . . . . 0.0 113.662 -174.596 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 3.8 pt20 -108.44 -24.82 11.26 Favored 'General case' 0 C--O 1.224 -0.288 0 C-N-CA 124.056 0.942 . . . . 0.0 111.135 178.707 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -74.4 -28.73 61.22 Favored 'General case' 0 CA--C 1.549 0.908 0 CA-C-N 119.727 1.149 . . . . 0.0 111.986 175.503 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 29.3 mt-10 -54.04 -34.99 61.48 Favored 'General case' 0 N--CA 1.48 1.056 0 CA-C-N 119.086 0.857 . . . . 0.0 111.848 171.212 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 8.3 m-80 -66.36 -8.46 25.57 Favored 'General case' 0 CA--C 1.549 0.905 0 N-CA-C 113.749 1.018 . . . . 0.0 113.749 -176.267 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 71.5 m-85 -98.41 -8.72 26.38 Favored 'General case' 0 CA--C 1.544 0.735 0 C-N-CA 125.863 1.665 . . . . 0.0 113.642 173.718 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 38.5 t -70.08 -31.73 69.47 Favored 'General case' 0 N--CA 1.473 0.708 0 C-N-CA 123.992 0.917 . . . . 0.0 112.938 -179.287 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--O 1.254 1.304 0 C-N-CA 126.083 1.753 . . . . 0.0 113.321 178.038 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 1' ' ' PHE . . . . . . . . . . . . . 71.3 t80 . . . . . 0 N--CA 1.487 1.38 0 CA-C-O 119.832 -0.128 . . . . 0.0 110.754 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' B' B ' 2' ' ' VAL . . . . . . . . . . . . . 96.1 t -132.08 121.74 47.23 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.955 0 C-N-CA 124.905 1.282 . . . . 0.0 108.256 169.759 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 3' ' ' ASN . . . . . . . . . . . . . 8.4 m120 -65.03 115.62 5.6 Favored 'General case' 0 CA--C 1.541 0.633 0 C-N-CA 123.784 0.834 . . . . 0.0 109.805 172.711 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 4' ' ' GLN . . . . . . . . . . . . . 14.7 pt20 -161.08 -178.14 6.56 Favored 'General case' 0 CA--C 1.537 0.475 0 C-N-CA 125.528 1.531 . . . . 0.0 110.402 -171.601 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 5' ' ' HIS . . . . . . . . . . . . . 78.6 m-70 -86.75 128.17 35.01 Favored 'General case' 0 CA--C 1.542 0.635 0 C-N-CA 123.961 0.904 . . . . 0.0 110.447 171.421 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 96.1 mt -128.39 121.55 29.34 Favored 'General case' 0 N--CA 1.468 0.465 0 C-N-CA 124.868 1.267 . . . . 0.0 110.891 -172.903 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 7' ' ' CYS . . . . . . . . . . . . . 59.0 m -134.25 142.41 47.33 Favored 'General case' 0 N--CA 1.47 0.527 0 C-N-CA 125.198 1.399 . . . . 0.0 110.293 -178.204 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 8' ' ' GLY . . . . . . . . . . . . . . . 55.6 -123.4 30.19 Favored Glycine 0 N--CA 1.473 1.157 0 C-N-CA 123.972 0.796 . . . . 0.0 113.198 171.323 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 9' ' ' SER . . . . . . . . . . . . . 20.4 m -53.95 -40.44 66.81 Favored 'General case' 0 N--CA 1.47 0.554 0 C-N-CA 124.445 1.098 . . . . 0.0 112.772 178.242 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 10' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -63.14 -38.32 90.72 Favored 'General case' 0 CA--C 1.542 0.635 0 O-C-N 121.35 -0.843 . . . . 0.0 112.207 177.506 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 21.1 tp -71.62 -44.69 63.94 Favored 'General case' 0 CA--C 1.537 0.45 0 C-N-CA 124.554 1.142 . . . . 0.0 110.993 178.097 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 73.4 t -59.31 -43.28 89.67 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.074 0 C-N-CA 124.106 0.962 . . . . 0.0 111.195 173.164 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 24.4 mt-10 -58.78 -47.89 83.14 Favored 'General case' 0 CA--C 1.533 0.325 0 C-N-CA 123.856 0.863 . . . . 0.0 111.843 173.184 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -60.99 -47.54 85.96 Favored 'General case' 0 CA--C 1.532 0.264 0 CA-C-N 119.403 1.002 . . . . 0.0 111.846 177.99 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 3.7 mm? -55.38 -38.44 68.87 Favored 'General case' 0 N--CA 1.469 0.496 0 C-N-CA 123.276 0.63 . . . . 0.0 111.899 176.679 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 16' ' ' TYR . . . . . . . . . . . . . 81.7 t80 -62.73 -46.42 88.14 Favored 'General case' 0 CA--C 1.536 0.423 0 CA-C-N 119.0 0.818 . . . . 0.0 112.206 171.369 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 96.1 mt -63.07 -44.93 94.41 Favored 'General case' 0 CA--C 1.536 0.427 0 CA-C-N 118.683 0.674 . . . . 0.0 112.339 -179.612 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 18' ' ' VAL . . . . . . . . . . . . . 0.1 OUTLIER -76.85 -50.34 21.41 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.07 0 CA-C-N 118.738 0.699 . . . . 0.0 111.767 -179.038 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 19' ' ' CYS . . . . . . . . . . . . . 35.7 t -102.26 -35.79 8.73 Favored 'General case' 0 CA--C 1.539 0.549 0 N-CA-C 113.776 1.028 . . . . 0.0 113.776 -166.251 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . -80.21 -51.7 4.88 Favored Glycine 0 N--CA 1.471 1.024 0 C-N-CA 124.14 0.876 . . . . 0.0 112.51 -174.782 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 34.9 tt0 -62.88 -34.07 76.63 Favored 'General case' 0 CA--C 1.539 0.527 0 C-N-CA 124.521 1.128 . . . . 0.0 112.339 -176.673 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 22' ' ' ARG . . . . . . . . . . . . . 12.0 ptm180 -70.31 -4.52 22.47 Favored 'General case' 0 CA--C 1.546 0.819 0 N-CA-C 114.285 1.217 . . . . 0.0 114.285 174.922 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . -87.73 -31.7 14.9 Favored Glycine 0 CA--C 1.532 1.143 0 C-N-CA 125.495 1.521 . . . . 0.0 112.79 167.836 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 24' ' ' HIS . . . . . . . . . . . . . 97.6 m-70 -88.14 -27.48 21.86 Favored 'General case' 0 CA--C 1.546 0.825 0 C-N-CA 125.099 1.36 . . . . 0.0 113.768 178.503 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 25' ' ' PHE . . . . . . . . . . . . . 72.9 t80 -133.64 151.54 51.69 Favored 'General case' 0 CA--C 1.54 0.562 0 C-N-CA 125.86 1.664 . . . . 0.0 111.393 -179.537 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 26' ' ' TYR . . . . . . . . . . . . . 51.2 t80 -68.34 150.27 48.4 Favored 'General case' 0 CA--C 1.544 0.733 0 N-CA-C 114.143 1.164 . . . . 0.0 114.143 -175.837 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 27' ' ' THR . . . . . . . . . . . . . 17.3 p -126.98 121.03 22.76 Favored Pre-proline 0 N--CA 1.475 0.819 0 C-N-CA 125.756 1.623 . . . . 0.0 109.365 168.911 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 28' ' ' PRO . . . . . . . . . . . . . 68.6 Cg_endo -79.68 167.23 20.92 Favored 'Trans proline' 0 CA--C 1.536 0.596 0 C-N-CA 123.393 2.729 . . . . 0.0 111.82 -179.259 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 25.9 pttm -78.71 11.22 2.69 Favored 'General case' 0 CA--C 1.549 0.913 0 N-CA-C 115.222 1.564 . . . . 0.0 115.222 179.817 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 30' ' ' THR . . . . . . . . . . . . . 25.5 m . . . . . 0 C--O 1.253 1.244 0 C-N-CA 127.379 2.272 . . . . 0.0 112.583 -177.671 . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.478 1.471 0 N-CA-C 111.754 -0.538 . . . . 0.0 111.754 . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 9.3 tp -62.98 -40.35 88.68 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.132 0 C-N-CA 124.62 1.168 . . . . 0.0 113.249 -173.856 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 84.6 t -64.34 -41.48 92.5 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.915 0 C-N-CA 123.71 0.804 . . . . 0.0 110.408 179.419 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 43.0 mp0 -75.64 -2.55 29.87 Favored 'General case' 0 CA--C 1.544 0.749 0 C-N-CA 123.991 0.916 . . . . 0.0 113.226 178.667 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 30.7 mm100 -95.79 -56.66 2.6 Favored 'General case' 0 CA--C 1.536 0.435 0 CA-C-N 119.07 0.85 . . . . 0.0 110.645 162.258 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 35.9 m -92.21 -28.62 16.91 Favored 'General case' 0 N--CA 1.47 0.56 0 N-CA-C 114.934 1.457 . . . . 0.0 114.934 -162.693 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 11.7 t -74.62 -25.34 59.17 Favored 'General case' 0 N--CA 1.473 0.716 0 O-C-N 121.426 -0.796 . . . . 0.0 112.885 175.16 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 6.7 t -92.82 -32.11 14.76 Favored 'General case' 0 N--CA 1.473 0.705 0 C-N-CA 124.997 1.319 . . . . 0.0 112.966 178.125 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 3.9 t -152.73 -175.21 5.2 Favored 'General case' 0 CA--C 1.543 0.698 0 N-CA-C 114.101 1.149 . . . . 0.0 114.101 -175.082 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 34.4 mm -64.78 128.31 27.16 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.454 0 C-N-CA 125.095 1.358 . . . . 0.0 111.209 178.945 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 10.2 m -112.45 130.19 56.07 Favored 'General case' 0 N--CA 1.467 0.418 0 C-N-CA 124.568 1.147 . . . . 0.0 111.536 165.595 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 48.9 m -89.44 156.33 18.74 Favored 'General case' 0 CA--C 1.537 0.45 0 C-N-CA 124.428 1.091 . . . . 0.0 111.605 165.937 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . 0.415 HD22 ' H ' ' A' ' 13' ' ' LEU . 1.5 pt? -56.72 -43.57 80.73 Favored 'General case' 0 CA--C 1.532 0.278 0 C-N-CA 123.949 0.9 . . . . 0.0 112.029 -176.86 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 26.6 p90 -69.35 -13.56 62.44 Favored 'General case' 0 CA--C 1.535 0.399 0 C-N-CA 124.833 1.253 . . . . 0.0 114.2 -170.695 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 2.2 pt20 -113.14 -26.63 8.35 Favored 'General case' 0 C--O 1.223 -0.309 0 C-N-CA 124.233 1.013 . . . . 0.0 111.05 -178.546 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -78.5 -30.12 47.03 Favored 'General case' 0 CA--C 1.548 0.884 0 C-N-CA 123.899 0.88 . . . . 0.0 111.531 177.636 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 27.7 mt-10 -50.25 -36.45 31.22 Favored 'General case' 0 N--CA 1.483 1.189 0 C-N-CA 125.285 1.434 . . . . 0.0 111.949 170.368 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 4.3 m120 -57.01 -26.28 59.98 Favored 'General case' 0 CA--C 1.541 0.621 0 C-N-CA 125.335 1.454 . . . . 0.0 112.841 -175.114 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 93.6 m-85 -88.61 -6.55 57.45 Favored 'General case' 0 CA--C 1.541 0.629 0 C-N-CA 125.978 1.711 . . . . 0.0 113.741 -177.396 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 11.6 t -75.56 -26.12 57.69 Favored 'General case' 0 CA--C 1.545 0.765 0 C-N-CA 123.492 0.717 . . . . 0.0 112.693 173.741 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 24.2 t-20 . . . . . 0 C--O 1.254 1.297 0 C-N-CA 125.636 1.574 . . . . 0.0 113.063 178.06 . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' B' B ' 1' ' ' PHE . . . . . . . . . . . . . 30.0 t80 . . . . . 0 N--CA 1.487 1.383 0 N-CA-C 110.759 -0.089 . . . . 0.0 110.759 . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' B' B ' 2' ' ' VAL . . . . . . . . . . . . . 12.4 p -147.21 134.62 14.26 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.863 0 C-N-CA 125.021 1.328 . . . . 0.0 109.169 168.468 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 3' ' ' ASN . . . . . . . . . . . . . 5.8 p30 -64.78 124.9 23.17 Favored 'General case' 0 CA--C 1.534 0.354 0 CA-C-O 120.768 0.318 . . . . 0.0 110.501 172.642 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 4' ' ' GLN . . . . . . . . . . . . . 23.6 pt20 -160.17 172.28 17.71 Favored 'General case' 0 CA--C 1.53 0.187 0 CA-C-O 121.804 0.811 . . . . 0.0 112.052 -165.844 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 5' ' ' HIS . . . . . . . . . . . . . 76.5 m-70 -77.95 132.28 37.8 Favored 'General case' 0 CA--C 1.544 0.729 0 C-N-CA 124.304 1.041 . . . . 0.0 110.277 169.494 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 89.7 mt -140.33 132.32 27.78 Favored 'General case' 0 N--CA 1.47 0.572 0 C-N-CA 124.797 1.239 . . . . 0.0 110.868 -173.954 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 7' ' ' CYS . . . . . . . . . . . . . 3.0 t -155.07 145.92 22.47 Favored 'General case' 0 N--CA 1.468 0.462 0 O-C-N 121.686 -0.634 . . . . 0.0 111.81 178.2 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 8' ' ' GLY . . . . . . . . . . . . . . . 59.82 -126.65 42.41 Favored Glycine 0 CA--C 1.529 0.942 0 C-N-CA 123.866 0.746 . . . . 0.0 112.198 -179.088 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 9' ' ' SER . . . . . . . . . . . . . 20.1 m -53.48 -39.94 64.92 Favored 'General case' 0 N--CA 1.47 0.534 0 C-N-CA 124.609 1.164 . . . . 0.0 112.65 178.197 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 10' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -62.76 -38.06 89.08 Favored 'General case' 0 CA--C 1.541 0.61 0 O-C-N 121.189 -0.944 . . . . 0.0 112.503 177.915 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 15.5 tp -71.37 -44.12 65.59 Favored 'General case' 0 CA--C 1.536 0.411 0 C-N-CA 124.351 1.06 . . . . 0.0 110.776 178.43 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 83.0 t -59.89 -44.03 93.43 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.012 0 C-N-CA 123.914 0.885 . . . . 0.0 111.246 173.3 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 23.9 mt-10 -59.54 -45.71 90.98 Favored 'General case' 0 N--CA 1.466 0.332 0 C-N-CA 124.066 0.946 . . . . 0.0 112.126 173.996 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -61.37 -49.1 78.29 Favored 'General case' 0 CA--C 1.532 0.275 0 CA-C-N 119.057 0.844 . . . . 0.0 111.487 177.792 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 3.9 mm? -54.99 -37.96 67.23 Favored 'General case' 0 N--CA 1.472 0.647 0 CA-C-N 119.048 0.84 . . . . 0.0 112.049 176.856 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 16' ' ' TYR . . . . . . . . . . . . . 54.1 t80 -62.24 -43.52 98.63 Favored 'General case' 0 CA--C 1.539 0.523 0 O-C-N 121.256 -0.903 . . . . 0.0 112.408 172.004 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 95.4 mt -68.92 -46.08 69.18 Favored 'General case' 0 CA--C 1.537 0.474 0 O-C-N 121.534 -0.729 . . . . 0.0 112.556 179.976 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 18' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -78.08 -40.76 26.54 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.28 0 CA-C-N 118.998 0.817 . . . . 0.0 112.515 -178.004 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 19' ' ' CYS . . . . . . . . . . . . . 15.0 t -111.45 -39.65 4.6 Favored 'General case' 0 CA--C 1.538 0.514 0 N-CA-C 113.811 1.041 . . . . 0.0 113.811 -171.35 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . -69.81 -33.73 71.17 Favored Glycine 0 N--CA 1.475 1.281 0 O-C-N 121.446 -0.784 . . . . 0.0 113.079 -177.854 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 37.7 tt0 -60.9 -21.8 63.7 Favored 'General case' 0 CA--C 1.548 0.901 0 C-N-CA 125.197 1.399 . . . . 0.0 112.943 174.86 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 22' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -74.32 -6.2 46.65 Favored 'General case' 0 N--CA 1.475 0.799 0 C-N-CA 124.751 1.22 . . . . 0.0 113.34 174.927 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . 115.06 141.8 7.59 Favored Glycine 0 CA--C 1.529 0.909 0 C-N-CA 126.844 2.164 . . . . 0.0 112.219 -178.635 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 24' ' ' HIS . . . . . . . . . . . . . 24.2 m170 -87.58 -8.02 56.8 Favored 'General case' 0 CA--C 1.548 0.889 0 N-CA-C 114.535 1.309 . . . . 0.0 114.535 -172.056 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 25' ' ' PHE . . . . . . . . . . . . . 77.6 t80 -66.88 148.52 51.83 Favored 'General case' 0 CA--C 1.542 0.653 0 C-N-CA 124.967 1.307 . . . . 0.0 112.632 -178.866 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 26' ' ' TYR . . . . . . . . . . . . . 64.5 t80 -146.71 150.66 35.83 Favored 'General case' 0 CA--C 1.543 0.685 0 C-N-CA 126.007 1.723 . . . . 0.0 111.711 -179.847 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 27' ' ' THR . . . . . . . . . . . . . 21.5 p -112.19 97.5 39.3 Favored Pre-proline 0 N--CA 1.474 0.748 0 C-N-CA 126.087 1.755 . . . . 0.0 110.336 -179.97 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 28' ' ' PRO . . . . . . . . . . . . . 97.2 Cg_endo -74.95 159.07 41.96 Favored 'Trans proline' 0 C--N 1.35 0.615 0 C-N-CA 123.325 2.683 . . . . 0.0 111.681 178.088 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 30.4 mtpp -134.74 156.38 48.93 Favored 'General case' 0 CA--C 1.546 0.814 0 C-N-CA 125.185 1.394 . . . . 0.0 112.108 -178.899 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 30' ' ' THR . . . . . . . . . . . . . 18.9 m . . . . . 0 C--O 1.253 1.253 0 C-N-CA 125.994 1.718 . . . . 0.0 112.261 178.804 . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.482 1.707 0 CA-C-O 121.199 0.333 . . . . 0.0 112.941 . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 7.9 tp -67.1 -39.35 83.03 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.174 0 C-N-CA 124.856 1.262 . . . . 0.0 113.97 -172.961 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 96.5 t -64.7 -43.93 96.57 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.188 0 O-C-N 121.417 -0.802 . . . . 0.0 111.086 -177.087 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 17.3 pt-20 -74.6 0.54 14.63 Favored 'General case' 0 CA--C 1.546 0.806 0 N-CA-C 113.649 0.981 . . . . 0.0 113.649 177.46 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 14.6 tp60 -99.75 -56.78 2.3 Favored 'General case' 0 CA--C 1.537 0.443 0 C-N-CA 123.972 0.909 . . . . 0.0 110.363 164.947 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 55.7 m -87.37 -30.2 20.95 Favored 'General case' 0 N--CA 1.468 0.438 0 N-CA-C 115.483 1.661 . . . . 0.0 115.483 -167.28 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 36.4 t -81.08 -25.31 37.13 Favored 'General case' 0 N--CA 1.476 0.846 0 O-C-N 120.938 -1.101 . . . . 0.0 113.534 -179.223 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 5.7 t -91.77 -19.21 22.83 Favored 'General case' 0 N--CA 1.474 0.73 0 C-N-CA 124.699 1.2 . . . . 0.0 113.852 -179.722 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 87.2 p -158.86 168.75 25.98 Favored 'General case' 0 CA--C 1.54 0.589 0 C-N-CA 124.167 0.987 . . . . 0.0 112.63 -171.426 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 26.8 mm -59.55 125.71 16.07 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.696 0 O-C-N 121.459 -0.776 . . . . 0.0 109.609 171.77 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 14.2 p -122.27 153.4 38.94 Favored 'General case' 0 CA--C 1.535 0.37 0 CA-C-O 121.625 0.726 . . . . 0.0 112.235 168.688 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 37.9 m -115.54 154.82 28.68 Favored 'General case' 0 N--CA 1.469 0.499 0 C-N-CA 124.156 0.983 . . . . 0.0 113.097 -172.15 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 1.6 pt? -57.76 -39.68 77.98 Favored 'General case' 0 N--CA 1.464 0.231 0 C-N-CA 123.747 0.819 . . . . 0.0 112.325 -172.481 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 21.8 p90 -70.21 -12.45 61.61 Favored 'General case' 0 CA--C 1.537 0.475 0 C-N-CA 125.283 1.433 . . . . 0.0 114.136 -174.176 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 3.9 pt20 -118.28 -26.22 6.36 Favored 'General case' 0 CA--C 1.533 0.316 0 C-N-CA 124.237 1.015 . . . . 0.0 111.096 -179.589 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -77.22 -29.85 54.35 Favored 'General case' 0 CA--C 1.547 0.864 0 CA-C-N 119.165 0.893 . . . . 0.0 111.887 178.736 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 19.4 mt-10 -54.91 -32.66 61.34 Favored 'General case' 0 N--CA 1.48 1.026 0 C-N-CA 124.035 0.934 . . . . 0.0 111.774 168.437 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 1.3 t-20 -59.67 -23.06 62.76 Favored 'General case' 0 CA--C 1.54 0.572 0 C-N-CA 124.005 0.922 . . . . 0.0 113.285 -177.318 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 82.1 m-85 -87.75 -16.15 35.03 Favored 'General case' 0 CA--C 1.542 0.645 0 C-N-CA 125.276 1.43 . . . . 0.0 113.291 176.398 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 11.2 t -79.33 -30.23 42.67 Favored 'General case' 0 CA--C 1.541 0.615 0 C-N-CA 124.238 1.015 . . . . 0.0 111.95 170.042 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 11.9 m-80 . . . . . 0 C--O 1.254 1.297 0 C-N-CA 126.006 1.722 . . . . 0.0 112.819 -178.946 . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' B' B ' 1' ' ' PHE . . . . . . . . . . . . . 51.4 t80 . . . . . 0 N--CA 1.487 1.415 0 N-CA-C 111.112 0.041 . . . . 0.0 111.112 . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' B' B ' 2' ' ' VAL . . . . . . . . . . . . . 10.0 p -146.55 134.64 15.5 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.813 0 C-N-CA 125.47 1.508 . . . . 0.0 108.713 165.698 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 3' ' ' ASN . . . . . . . . . . . . . 69.2 m-20 -63.7 117.34 6.72 Favored 'General case' 0 CA--C 1.538 0.492 0 C-N-CA 123.108 0.563 . . . . 0.0 109.627 178.103 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 4' ' ' GLN . . . . . . . . . . . . . 24.9 pt20 -157.84 178.89 9.74 Favored 'General case' 0 CA--C 1.534 0.333 0 CA-C-O 121.485 0.66 . . . . 0.0 112.646 -165.209 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 5' ' ' HIS . . . . . . . . . . . . . 73.7 m-70 -82.32 132.96 35.22 Favored 'General case' 0 CA--C 1.543 0.68 0 C-N-CA 124.605 1.162 . . . . 0.0 110.71 168.854 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 80.3 mt -140.36 126.36 19.59 Favored 'General case' 0 N--CA 1.469 0.523 0 C-N-CA 124.792 1.237 . . . . 0.0 111.505 -173.772 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 7' ' ' CYS . . . . . . . . . . . . . 61.1 m -135.43 142.62 45.63 Favored 'General case' 0 N--CA 1.471 0.601 0 C-N-CA 124.962 1.305 . . . . 0.0 110.361 178.875 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 8' ' ' GLY . . . . . . . . . . . . . . . 55.47 -121.59 23.29 Favored Glycine 0 N--CA 1.474 1.167 0 C-N-CA 124.049 0.833 . . . . 0.0 113.418 170.482 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 9' ' ' SER . . . . . . . . . . . . . 20.7 m -54.04 -40.55 67.2 Favored 'General case' 0 N--CA 1.47 0.557 0 C-N-CA 124.502 1.121 . . . . 0.0 112.711 177.741 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 10' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -63.39 -37.65 88.09 Favored 'General case' 0 N--CA 1.472 0.627 0 O-C-N 121.219 -0.926 . . . . 0.0 112.102 176.63 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 17.3 tp -70.97 -43.07 68.83 Favored 'General case' 0 CA--C 1.538 0.507 0 C-N-CA 124.383 1.073 . . . . 0.0 111.036 178.508 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 76.6 t -60.47 -43.76 94.9 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.05 0 C-N-CA 123.961 0.904 . . . . 0.0 111.339 171.772 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 23.5 mt-10 -59.3 -43.36 92.61 Favored 'General case' 0 N--CA 1.466 0.36 0 C-N-CA 124.012 0.925 . . . . 0.0 112.18 173.929 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -62.77 -49.85 73.35 Favored 'General case' 0 N--CA 1.453 -0.295 0 O-C-N 121.207 -0.933 . . . . 0.0 111.521 176.209 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 4.0 mm? -55.65 -37.55 68.4 Favored 'General case' 0 N--CA 1.471 0.591 0 CA-C-N 119.232 0.924 . . . . 0.0 112.097 177.8 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 16' ' ' TYR . . . . . . . . . . . . . 83.8 t80 -59.71 -50.41 73.95 Favored 'General case' 0 N--CA 1.468 0.451 0 CA-C-N 119.112 0.869 . . . . 0.0 112.093 169.058 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 97.5 mt -63.0 -42.23 99.79 Favored 'General case' 0 CA--C 1.536 0.417 0 N-CA-C 113.101 0.778 . . . . 0.0 113.101 -178.606 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 18' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -84.61 -36.95 12.17 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.296 0 CA-C-N 119.117 0.871 . . . . 0.0 113.343 -177.026 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 19' ' ' CYS . . . . . . . . . . . . . 13.3 t -113.89 -29.0 7.19 Favored 'General case' 0 CA--C 1.542 0.654 0 N-CA-C 114.783 1.401 . . . . 0.0 114.783 -167.844 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . -90.9 -66.2 1.18 Allowed Glycine 0 N--CA 1.474 1.184 0 C-N-CA 124.502 1.048 . . . . 0.0 112.207 -179.578 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 34.3 tp10 -80.29 -21.05 43.03 Favored 'General case' 0 CA--C 1.544 0.747 0 C-N-CA 126.204 1.801 . . . . 0.0 112.443 176.934 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 22' ' ' ARG . . . . . . . . . . . . . 25.4 mtp180 46.43 55.19 7.74 Favored 'General case' 0 CA--C 1.543 0.708 0 C-N-CA 127.823 2.449 . . . . 0.0 113.633 176.856 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . -82.2 -35.09 21.87 Favored Glycine 0 N--CA 1.472 1.067 0 C-N-CA 125.978 1.751 . . . . 0.0 114.18 -179.179 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 24' ' ' HIS . . . . . . . . . . . . . 93.0 m-70 57.4 -133.16 1.29 Allowed 'General case' 0 CA--C 1.554 1.12 0 C-N-CA 126.184 1.794 . . . . 0.0 114.277 177.659 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 25' ' ' PHE . . . . . . . . . . . . . 77.8 t80 -150.07 146.88 27.2 Favored 'General case' 0 CA--C 1.54 0.567 0 C-N-CA 126.549 1.939 . . . . 0.0 110.334 -179.306 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 26' ' ' TYR . . . . . . . . . . . . . 72.1 t80 -148.7 151.27 34.63 Favored 'General case' 0 CA--C 1.54 0.581 0 C-N-CA 125.531 1.532 . . . . 0.0 111.985 -176.729 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 27' ' ' THR . . . . . . . . . . . . . 18.8 p -127.29 124.14 23.58 Favored Pre-proline 0 N--CA 1.474 0.752 0 C-N-CA 125.894 1.677 . . . . 0.0 108.982 171.683 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 28' ' ' PRO . . . . . . . . . . . . . 66.7 Cg_endo -81.9 159.48 18.51 Favored 'Trans proline' 0 C--N 1.35 0.64 0 C-N-CA 123.16 2.573 . . . . 0.0 112.198 -172.714 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 7.1 ttpp -83.05 25.53 0.68 Allowed 'General case' 0 CA--C 1.554 1.108 0 C-N-CA 124.942 1.297 . . . . 0.0 113.705 -178.696 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 30' ' ' THR . . . . . . . . . . . . . 25.7 m . . . . . 0 C--O 1.253 1.256 0 C-N-CA 126.617 1.967 . . . . 0.0 112.501 -178.187 . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.479 1.533 0 CA-C-O 121.373 0.43 . . . . 0.0 112.603 . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 6.8 tp -71.47 -32.17 45.38 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.045 0 N-CA-C 114.126 1.158 . . . . 0.0 114.126 -173.265 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 60.1 t -61.93 -43.19 97.15 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.091 0 O-C-N 121.318 -0.864 . . . . 0.0 109.813 179.41 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 2.4 mp0 -69.39 -6.97 33.43 Favored 'General case' 0 CA--C 1.546 0.799 0 C-N-CA 124.858 1.263 . . . . 0.0 113.491 176.844 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 19.5 tp60 -106.28 -33.36 7.81 Favored 'General case' 0 CA--C 1.539 0.557 0 C-N-CA 124.44 1.096 . . . . 0.0 112.714 176.49 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -117.02 -20.19 9.44 Favored 'General case' 0 N--CA 1.479 0.983 0 N-CA-C 116.481 2.03 . . . . 0.0 116.481 -173.715 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 49.2 t -82.9 -34.86 26.54 Favored 'General case' 0 N--CA 1.478 0.973 0 O-C-N 121.093 -1.004 . . . . 0.0 113.589 175.632 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 6.2 t -78.37 -31.04 48.27 Favored 'General case' 0 N--CA 1.478 0.947 0 C-N-CA 125.045 1.338 . . . . 0.0 112.96 179.765 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 98.9 p -162.69 167.63 22.81 Favored 'General case' 0 CA--C 1.537 0.473 0 C-N-CA 127.158 2.183 . . . . 0.0 109.904 -174.989 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 21.3 mt -72.84 126.05 32.78 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.615 0 O-C-N 121.145 -0.972 . . . . 0.0 111.447 -170.775 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 9.1 p -102.35 142.76 33.04 Favored 'General case' 0 CA--C 1.539 0.523 0 C-N-CA 123.424 0.689 . . . . 0.0 111.276 165.41 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 11.6 p -82.54 160.33 22.62 Favored 'General case' 0 C--O 1.236 0.36 0 CA-C-O 122.131 0.967 . . . . 0.0 111.822 167.177 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 1.8 pt? -54.41 -39.73 67.57 Favored 'General case' 0 CA--C 1.531 0.224 0 C-N-CA 123.164 0.585 . . . . 0.0 111.893 174.649 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 12.4 p90 -72.1 -12.76 61.35 Favored 'General case' 0 C--O 1.233 0.221 0 N-CA-C 114.363 1.246 . . . . 0.0 114.363 -169.233 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 15.8 pt20 -110.09 -25.78 10.03 Favored 'General case' 0 CA--C 1.532 0.277 0 C-N-CA 123.914 0.886 . . . . 0.0 110.855 176.895 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -77.34 -27.42 52.75 Favored 'General case' 0 CA--C 1.546 0.807 0 CA-C-N 118.871 0.759 . . . . 0.0 111.674 176.856 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 29.8 mt-10 -50.99 -32.48 21.3 Favored 'General case' 0 N--CA 1.48 1.07 0 C-N-CA 124.889 1.275 . . . . 0.0 111.795 167.46 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 1.1 t-20 -64.44 -17.87 64.21 Favored 'General case' 0 CA--C 1.542 0.644 0 C-N-CA 124.809 1.243 . . . . 0.0 113.393 -176.675 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 82.3 m-85 -95.43 1.24 54.06 Favored 'General case' 0 CA--C 1.547 0.837 0 C-N-CA 126.485 1.914 . . . . 0.0 113.284 177.718 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 42.6 t -67.26 -33.02 74.45 Favored 'General case' 0 N--CA 1.474 0.726 0 C-N-CA 124.667 1.187 . . . . 0.0 113.288 176.913 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--O 1.252 1.203 0 C-N-CA 125.939 1.695 . . . . 0.0 113.013 177.128 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 1' ' ' PHE . . . . . . . . . . . . . 71.5 t80 . . . . . 0 N--CA 1.487 1.401 0 CA-C-O 119.832 -0.128 . . . . 0.0 110.849 . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' B' B ' 2' ' ' VAL . . . . . . . . . . . . . 85.3 t -130.59 124.68 57.49 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.864 0 C-N-CA 125.179 1.392 . . . . 0.0 108.198 170.131 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 3' ' ' ASN . . . . . . . . . . . . . 3.6 m-80 -67.06 111.03 3.64 Favored 'General case' 0 CA--C 1.541 0.627 0 C-N-CA 123.118 0.567 . . . . 0.0 109.77 170.514 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 4' ' ' GLN . . . . . . . . . . . . . 25.5 pt20 -161.2 175.91 11.83 Favored 'General case' 0 CA--C 1.536 0.411 0 C-N-CA 126.385 1.874 . . . . 0.0 109.877 -174.433 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 5' ' ' HIS . . . . . . . . . . . . . 76.7 m-70 -80.53 127.97 33.06 Favored 'General case' 0 CA--C 1.54 0.579 0 C-N-CA 123.356 0.662 . . . . 0.0 110.116 173.006 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 96.5 mt -129.52 132.49 46.88 Favored 'General case' 0 N--CA 1.468 0.451 0 C-N-CA 124.342 1.057 . . . . 0.0 110.84 -174.537 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 7' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -154.41 147.07 24.2 Favored 'General case' 0 N--CA 1.467 0.421 0 C-N-CA 123.831 0.852 . . . . 0.0 110.976 -177.589 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 8' ' ' GLY . . . . . . . . . . . . . . . 57.67 -126.47 42.33 Favored Glycine 0 CA--C 1.53 0.971 0 C-N-CA 123.796 0.712 . . . . 0.0 112.755 179.28 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 9' ' ' SER . . . . . . . . . . . . . 8.1 p -50.42 -42.54 54.01 Favored 'General case' 0 N--CA 1.471 0.597 0 C-N-CA 125.196 1.398 . . . . 0.0 113.262 176.045 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 10' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -64.8 -37.41 87.54 Favored 'General case' 0 CA--C 1.541 0.6 0 O-C-N 121.258 -0.901 . . . . 0.0 112.635 178.999 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 15.4 tp -72.35 -43.37 64.17 Favored 'General case' 0 CA--C 1.536 0.412 0 C-N-CA 124.025 0.93 . . . . 0.0 110.925 176.995 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 79.5 t -59.8 -42.9 90.46 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.959 0 C-N-CA 123.981 0.913 . . . . 0.0 111.168 173.614 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 18.8 mt-10 -60.6 -44.66 96.01 Favored 'General case' 0 N--CA 1.468 0.471 0 C-N-CA 123.927 0.891 . . . . 0.0 112.461 174.054 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -61.86 -48.8 78.91 Favored 'General case' 0 CA--C 1.534 0.342 0 CA-C-N 118.892 0.769 . . . . 0.0 111.669 175.885 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 4.1 mm? -58.0 -37.04 73.53 Favored 'General case' 0 N--CA 1.47 0.543 0 CA-C-N 118.784 0.72 . . . . 0.0 111.753 175.969 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 16' ' ' TYR . . . . . . . . . . . . . 80.4 t80 -58.49 -41.74 85.99 Favored 'General case' 0 CA--C 1.537 0.442 0 CA-C-N 120.479 1.491 . . . . 0.0 112.164 172.325 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 93.4 mt -71.48 -48.1 51.29 Favored 'General case' 0 CA--C 1.542 0.64 0 CA-C-O 118.904 -0.569 . . . . 0.0 112.43 179.875 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 18' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -82.51 -29.52 8.97 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.55 0 N-CA-C 113.722 1.008 . . . . 0.0 113.722 -175.725 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 19' ' ' CYS . . . . . . . . . . . . . 53.6 t -114.74 -44.43 3.06 Favored 'General case' 0 CA--C 1.54 0.59 0 C-N-CA 124.313 1.045 . . . . 0.0 113.308 -173.703 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . -77.2 -48.88 7.88 Favored Glycine 0 N--CA 1.476 1.303 0 C-N-CA 123.757 0.694 . . . . 0.0 113.951 -169.684 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 34.6 tt0 -66.57 -16.97 64.56 Favored 'General case' 0 CA--C 1.544 0.724 0 C-N-CA 125.377 1.471 . . . . 0.0 112.925 -178.416 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 22' ' ' ARG . . . . . . . . . . . . . 41.2 mmm-85 -61.31 -23.18 65.53 Favored 'General case' 0 CA--C 1.543 0.706 0 C-N-CA 125.082 1.353 . . . . 0.0 113.279 178.13 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . -91.21 25.65 14.0 Favored Glycine 0 N--CA 1.473 1.11 0 C-N-CA 125.903 1.716 . . . . 0.0 115.106 -178.776 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 24' ' ' HIS . . . . . . . . . . . . . 23.1 p80 -66.29 -24.64 66.59 Favored 'General case' 0 CA--C 1.551 0.984 0 N-CA-C 114.552 1.316 . . . . 0.0 114.552 -179.71 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 25' ' ' PHE . . . . . . . . . . . . . 64.9 t80 -73.11 151.47 41.59 Favored 'General case' 0 CA--C 1.542 0.653 0 C-N-CA 124.806 1.243 . . . . 0.0 112.426 -175.883 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 26' ' ' TYR . . . . . . . . . . . . . 59.5 t80 -67.13 150.44 49.15 Favored 'General case' 0 CA--C 1.544 0.739 0 N-CA-C 113.836 1.05 . . . . 0.0 113.836 -178.429 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 27' ' ' THR . . . . . . . . . . . . . 20.7 p -129.26 124.24 22.05 Favored Pre-proline 0 N--CA 1.475 0.781 0 C-N-CA 125.772 1.629 . . . . 0.0 109.233 171.964 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 28' ' ' PRO . . . . . . . . . . . . . 41.5 Cg_endo -83.74 49.75 2.97 Favored 'Trans proline' 0 CA--C 1.541 0.839 0 C-N-CA 124.296 3.331 . . . . 0.0 111.975 -175.448 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -155.26 117.01 4.07 Favored 'General case' 0 CA--C 1.544 0.728 0 C-N-CA 126.204 1.802 . . . . 0.0 109.983 -174.963 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 30' ' ' THR . . . . . . . . . . . . . 19.5 p . . . . . 0 N--CA 1.483 1.184 0 C-N-CA 125.683 1.593 . . . . 0.0 113.545 -177.979 . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.477 1.431 0 N-CA-C 111.721 -0.551 . . . . 0.0 111.721 . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 8.0 tp -64.3 -35.66 74.76 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.078 0 N-CA-C 113.733 1.012 . . . . 0.0 113.733 -174.313 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 84.0 t -63.76 -44.93 98.44 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.04 0 CA-C-N 119.131 0.878 . . . . 0.0 110.027 178.297 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 46.0 mp0 -71.87 -3.52 22.88 Favored 'General case' 0 CA--C 1.545 0.788 0 C-N-CA 124.719 1.208 . . . . 0.0 112.942 176.737 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 9.8 tp-100 -101.18 -55.72 2.48 Favored 'General case' 0 CA--C 1.538 0.482 0 C-N-CA 124.478 1.111 . . . . 0.0 110.921 172.29 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 2.6 t -99.63 -20.1 16.49 Favored 'General case' 0 N--CA 1.473 0.678 0 N-CA-C 115.468 1.655 . . . . 0.0 115.468 -167.932 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 34.2 t -81.11 -26.61 36.04 Favored 'General case' 0 N--CA 1.477 0.877 0 O-C-N 120.752 -1.217 . . . . 0.0 113.228 174.005 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 5.9 t -83.79 -32.97 25.07 Favored 'General case' 0 N--CA 1.475 0.808 0 C-N-CA 124.368 1.067 . . . . 0.0 112.918 178.12 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 94.1 p -154.55 170.95 20.26 Favored 'General case' 0 CA--C 1.545 0.767 0 C-N-CA 124.964 1.306 . . . . 0.0 112.48 -175.482 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 20.2 mm -57.19 133.17 21.81 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.959 0 O-C-N 121.102 -0.999 . . . . 0.0 110.967 179.862 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 2.6 p -126.7 161.75 27.4 Favored 'General case' 0 N--CA 1.472 0.669 0 N-CA-C 113.839 1.052 . . . . 0.0 113.839 165.669 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 51.5 m -117.57 155.28 30.08 Favored 'General case' 0 N--CA 1.47 0.559 0 C-N-CA 125.625 1.57 . . . . 0.0 112.505 -176.668 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . 0.417 ' H ' HD23 ' A' ' 13' ' ' LEU . 1.6 pt? -57.03 -42.68 80.87 Favored 'General case' 0 N--CA 1.463 0.215 0 C-N-CA 124.292 1.037 . . . . 0.0 112.164 -173.611 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 21.6 p90 -67.33 -12.21 59.6 Favored 'General case' 0 CA--C 1.536 0.429 0 C-N-CA 125.198 1.399 . . . . 0.0 114.718 -173.766 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 3.8 pt20 -118.69 -30.5 5.1 Favored 'General case' 0 CA--C 1.533 0.312 0 C-N-CA 124.362 1.065 . . . . 0.0 110.655 -178.335 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -69.46 -33.68 73.26 Favored 'General case' 0 CA--C 1.549 0.93 0 CA-C-N 119.048 0.84 . . . . 0.0 111.184 174.833 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 17.1 mt-10 -46.58 -39.31 10.84 Favored 'General case' 0 N--CA 1.48 1.042 0 C-N-CA 126.131 1.772 . . . . 0.0 112.107 169.202 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 1.3 t-20 -63.26 -18.33 63.44 Favored 'General case' 0 CA--C 1.54 0.58 0 C-N-CA 125.392 1.477 . . . . 0.0 113.955 -173.994 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 85.5 m-85 -91.46 -6.57 52.48 Favored 'General case' 0 CA--C 1.541 0.627 0 C-N-CA 125.772 1.629 . . . . 0.0 113.782 178.661 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 38.8 t -68.57 -32.63 72.68 Favored 'General case' 0 N--CA 1.474 0.767 0 N-CA-C 113.241 0.83 . . . . 0.0 113.241 -178.478 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--O 1.252 1.199 0 C-N-CA 125.644 1.577 . . . . 0.0 113.202 178.672 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 1' ' ' PHE . . . . . . . . . . . . . 53.2 t80 . . . . . 0 N--CA 1.486 1.348 0 CA-C-O 119.658 -0.211 . . . . 0.0 110.714 . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' B' B ' 2' ' ' VAL . . . . . . . . . . . . . 92.8 t -131.11 123.66 54.13 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.018 0 C-N-CA 124.916 1.286 . . . . 0.0 108.81 172.148 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 3' ' ' ASN . . . . . . . . . . . . . 5.8 m120 -67.05 111.57 3.93 Favored 'General case' 0 CA--C 1.541 0.628 0 C-N-CA 124.928 1.291 . . . . 0.0 109.402 177.377 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 4' ' ' GLN . . . . . . . . . . . . . 16.2 pt20 -157.17 179.29 9.42 Favored 'General case' 0 CA--C 1.536 0.423 0 O-C-N 121.591 -0.693 . . . . 0.0 112.4 -167.681 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 5' ' ' HIS . . . . . . . . . . . . . 64.6 m-70 -83.87 132.46 34.79 Favored 'General case' 0 CA--C 1.543 0.694 0 C-N-CA 124.585 1.154 . . . . 0.0 110.154 167.742 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 91.8 mt -134.52 129.71 35.53 Favored 'General case' 0 N--CA 1.47 0.535 0 C-N-CA 124.503 1.121 . . . . 0.0 110.876 -176.144 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 7' ' ' CYS . . . . . . . . . . . . . 66.7 m -137.27 143.77 42.37 Favored 'General case' 0 N--CA 1.471 0.595 0 C-N-CA 125.092 1.357 . . . . 0.0 110.408 -178.925 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 8' ' ' GLY . . . . . . . . . . . . . . . 54.74 -122.69 26.17 Favored Glycine 0 N--CA 1.473 1.147 0 C-N-CA 124.148 0.88 . . . . 0.0 113.297 170.439 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 9' ' ' SER . . . . . . . . . . . . . 20.3 m -54.05 -39.71 66.48 Favored 'General case' 0 N--CA 1.469 0.51 0 C-N-CA 124.622 1.169 . . . . 0.0 112.84 178.318 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 10' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -64.69 -36.04 83.0 Favored 'General case' 0 CA--C 1.54 0.591 0 O-C-N 121.278 -0.889 . . . . 0.0 112.292 177.157 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 16.1 tp -74.24 -42.14 60.18 Favored 'General case' 0 CA--C 1.539 0.55 0 C-N-CA 124.664 1.186 . . . . 0.0 111.066 178.332 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 68.9 t -60.59 -43.32 94.38 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.08 0 C-N-CA 124.355 1.062 . . . . 0.0 111.36 171.331 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 20.7 mt-10 -57.65 -48.24 80.03 Favored 'General case' 0 N--CA 1.465 0.305 0 C-N-CA 123.482 0.713 . . . . 0.0 111.568 171.901 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -58.77 -48.22 81.99 Favored 'General case' 0 CA--C 1.534 0.335 0 CA-C-N 119.27 0.941 . . . . 0.0 112.189 177.807 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 3.8 mm? -55.38 -36.83 66.8 Favored 'General case' 0 N--CA 1.471 0.616 0 C-N-CA 123.535 0.734 . . . . 0.0 112.16 176.276 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 16' ' ' TYR . . . . . . . . . . . . . 81.7 t80 -63.27 -44.33 95.42 Favored 'General case' 0 CA--C 1.537 0.452 0 O-C-N 121.446 -0.784 . . . . 0.0 112.182 171.13 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 86.0 mt -65.06 -51.27 62.44 Favored 'General case' 0 N--CA 1.468 0.472 0 CA-C-N 119.203 0.91 . . . . 0.0 111.959 179.375 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 18' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -71.03 -42.15 76.68 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.019 0 N-CA-C 112.853 0.686 . . . . 0.0 112.853 -176.939 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 19' ' ' CYS . . . . . . . . . . . . . 13.9 t -116.98 -33.35 4.76 Favored 'General case' 0 N--CA 1.473 0.693 0 N-CA-C 114.43 1.27 . . . . 0.0 114.43 -167.915 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . -76.38 -58.48 3.6 Favored Glycine 0 N--CA 1.472 1.094 0 C-N-CA 123.848 0.737 . . . . 0.0 112.172 -176.482 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 38.8 tt0 -75.37 -41.54 56.18 Favored 'General case' 0 CA--C 1.538 0.511 0 C-N-CA 125.47 1.508 . . . . 0.0 111.335 174.668 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 22' ' ' ARG . . . . . . . . . . . . . 5.6 ttp-105 58.45 32.59 22.28 Favored 'General case' 0 CA--C 1.545 0.776 0 C-N-CA 125.64 1.576 . . . . 0.0 115.078 171.798 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . 87.11 -179.22 48.35 Favored Glycine 0 N--CA 1.473 1.144 0 C-N-CA 125.834 1.683 . . . . 0.0 113.93 177.49 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 24' ' ' HIS . . . . . . . . . . . . . 28.7 p80 -67.06 -22.68 65.84 Favored 'General case' 0 CA--C 1.551 0.983 0 N-CA-C 113.912 1.078 . . . . 0.0 113.912 178.864 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 25' ' ' PHE . . . . . . . . . . . . . 85.5 t80 -161.71 135.73 6.74 Favored 'General case' 0 CA--C 1.536 0.432 0 C-N-CA 126.974 2.11 . . . . 0.0 109.791 178.121 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 26' ' ' TYR . . . . . . . . . . . . . 55.4 t80 -107.87 148.58 29.39 Favored 'General case' 0 CA--C 1.541 0.616 0 C-N-CA 124.548 1.139 . . . . 0.0 112.894 -178.987 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 27' ' ' THR . . . . . . . . . . . . . 20.5 p -125.32 116.2 25.44 Favored Pre-proline 0 N--CA 1.472 0.666 0 C-N-CA 126.041 1.736 . . . . 0.0 109.041 172.799 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 28' ' ' PRO . . . . . . . . . . . . . 93.9 Cg_endo -77.95 160.26 30.49 Favored 'Trans proline' 0 CA--C 1.537 0.63 0 C-N-CA 123.215 2.61 . . . . 0.0 111.723 -177.036 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 3.6 ttmp? -68.59 134.25 49.71 Favored 'General case' 0 CA--C 1.547 0.836 0 C-N-CA 123.76 0.824 . . . . 0.0 112.002 178.71 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 30' ' ' THR . . . . . . . . . . . . . 19.0 p . . . . . 0 C--O 1.253 1.275 0 C-N-CA 125.78 1.632 . . . . 0.0 113.398 179.022 . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.483 1.806 0 N-CA-C 112.041 -0.424 . . . . 0.0 112.041 . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 6.4 tp -61.51 -35.24 65.61 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.235 0 C-N-CA 124.772 1.229 . . . . 0.0 113.663 -171.952 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 87.3 t -63.14 -43.3 98.81 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.06 0 O-C-N 121.483 -0.76 . . . . 0.0 110.422 174.808 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 36.2 tt0 -73.58 -7.9 53.79 Favored 'General case' 0 CA--C 1.548 0.887 0 C-N-CA 124.015 0.926 . . . . 0.0 112.608 175.583 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 46.4 tp60 -93.9 -40.36 10.19 Favored 'General case' 0 CA--C 1.538 0.499 0 O-C-N 121.058 -1.027 . . . . 0.0 112.278 172.662 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -120.84 -17.68 7.84 Favored 'General case' 0 N--CA 1.479 1.012 0 N-CA-C 117.263 2.32 . . . . 0.0 117.263 -171.231 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 43.1 t -84.96 -38.02 19.8 Favored 'General case' 0 N--CA 1.481 1.083 0 O-C-N 120.789 -1.194 . . . . 0.0 113.48 176.284 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 6.1 t -74.12 -30.63 62.41 Favored 'General case' 0 N--CA 1.478 0.963 0 C-N-CA 124.751 1.221 . . . . 0.0 112.741 179.624 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 89.3 p -165.45 168.43 16.64 Favored 'General case' 0 CA--C 1.538 0.487 0 C-N-CA 127.393 2.277 . . . . 0.0 110.003 -175.119 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 17.2 mt -73.38 128.19 35.82 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.669 0 O-C-N 121.111 -0.993 . . . . 0.0 112.075 -170.303 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 14.6 p -99.47 170.17 8.8 Favored 'General case' 0 CA--C 1.54 0.579 0 C-N-CA 124.14 0.976 . . . . 0.0 112.935 170.07 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 66.6 m -116.12 153.82 31.08 Favored 'General case' 0 N--CA 1.468 0.443 0 C-N-CA 124.819 1.248 . . . . 0.0 111.746 171.555 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 1.6 pt? -54.66 -42.93 71.9 Favored 'General case' 0 N--CA 1.464 0.253 0 C-N-CA 124.141 0.977 . . . . 0.0 112.272 -175.722 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 29.8 p90 -67.34 -20.07 65.53 Favored 'General case' 0 CA--C 1.534 0.359 0 N-CA-C 113.582 0.956 . . . . 0.0 113.582 -173.261 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 3.4 pt20 -107.29 -23.89 12.08 Favored 'General case' 0 CA--C 1.532 0.271 0 C-N-CA 123.948 0.899 . . . . 0.0 111.065 179.815 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -75.95 -32.54 59.59 Favored 'General case' 0 CA--C 1.548 0.875 0 CA-C-N 119.308 0.958 . . . . 0.0 111.512 173.639 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 33.2 mt-10 -53.49 -36.34 61.58 Favored 'General case' 0 N--CA 1.481 1.087 0 C-N-CA 125.196 1.398 . . . . 0.0 111.628 171.18 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 7.6 m-80 -64.74 -11.9 41.32 Favored 'General case' 0 CA--C 1.547 0.842 0 C-N-CA 124.165 0.986 . . . . 0.0 113.58 -178.299 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 89.3 m-85 -92.5 -17.29 24.69 Favored 'General case' 0 CA--C 1.542 0.639 0 C-N-CA 124.936 1.294 . . . . 0.0 113.397 171.63 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 13.5 t -77.81 -31.63 51.83 Favored 'General case' 0 CA--C 1.542 0.653 0 C-N-CA 123.761 0.825 . . . . 0.0 111.842 167.81 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 11.6 m-80 . . . . . 0 C--O 1.253 1.257 0 C-N-CA 125.801 1.64 . . . . 0.0 112.722 179.416 . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' B' B ' 1' ' ' PHE . . . . . . . . . . . . . 80.4 t80 . . . . . 0 N--CA 1.487 1.382 0 CA-C-O 119.6 -0.238 . . . . 0.0 110.599 . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' B' B ' 2' ' ' VAL . . . . . . . . . . . . . 97.7 t -126.95 116.41 44.59 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.958 0 C-N-CA 124.748 1.219 . . . . 0.0 108.199 169.635 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 3' ' ' ASN . . . . . . . . . . . . . 9.1 m120 -66.25 114.24 5.19 Favored 'General case' 0 CA--C 1.539 0.556 0 C-N-CA 123.694 0.798 . . . . 0.0 109.908 173.328 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 4' ' ' GLN . . . . . . . . . . . . . 19.3 pt20 -160.9 -178.11 6.59 Favored 'General case' 0 CA--C 1.536 0.414 0 C-N-CA 125.82 1.648 . . . . 0.0 109.979 -173.277 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 5' ' ' HIS . . . . . . . . . . . . . 80.0 m-70 -85.89 125.09 33.07 Favored 'General case' 0 CA--C 1.541 0.602 0 C-N-CA 123.468 0.707 . . . . 0.0 110.06 172.235 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 95.7 mt -127.95 130.36 48.31 Favored 'General case' 0 N--CA 1.467 0.384 0 C-N-CA 124.795 1.238 . . . . 0.0 110.486 -175.05 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 7' ' ' CYS . . . . . . . . . . . . . 0.6 OUTLIER -149.94 147.39 27.83 Favored 'General case' 0 N--CA 1.468 0.475 0 C-N-CA 123.685 0.794 . . . . 0.0 111.453 -178.416 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 8' ' ' GLY . . . . . . . . . . . . . . . 55.55 -125.22 35.93 Favored Glycine 0 CA--C 1.53 0.983 0 C-N-CA 124.036 0.827 . . . . 0.0 112.519 178.287 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 9' ' ' SER . . . . . . . . . . . . . 20.2 m -53.5 -40.35 65.31 Favored 'General case' 0 N--CA 1.469 0.515 0 C-N-CA 124.498 1.119 . . . . 0.0 112.777 177.784 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 10' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -63.94 -36.93 85.57 Favored 'General case' 0 CA--C 1.543 0.684 0 O-C-N 121.23 -0.918 . . . . 0.0 112.462 178.5 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 17.5 tp -72.16 -44.85 62.43 Favored 'General case' 0 CA--C 1.536 0.421 0 C-N-CA 124.697 1.199 . . . . 0.0 110.652 177.812 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 72.4 t -59.6 -43.6 91.43 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.05 0 C-N-CA 124.003 0.921 . . . . 0.0 111.294 173.183 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 23.3 mt-10 -59.2 -44.93 92.23 Favored 'General case' 0 N--CA 1.467 0.382 0 C-N-CA 124.142 0.977 . . . . 0.0 112.242 174.071 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -61.8 -49.79 74.92 Favored 'General case' 0 N--CA 1.454 -0.267 0 CA-C-N 119.15 0.886 . . . . 0.0 111.15 176.975 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 3.8 mm? -52.67 -41.08 63.51 Favored 'General case' 0 N--CA 1.472 0.627 0 C-N-CA 123.681 0.793 . . . . 0.0 112.156 177.358 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 16' ' ' TYR . . . . . . . . . . . . . 81.8 t80 -60.47 -46.37 90.35 Favored 'General case' 0 CA--C 1.536 0.415 0 O-C-N 121.853 -0.529 . . . . 0.0 112.146 172.732 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 96.0 mt -66.41 -45.49 79.76 Favored 'General case' 0 CA--C 1.537 0.45 0 CA-C-N 118.829 0.74 . . . . 0.0 112.626 179.554 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 18' ' ' VAL . . . . . . . . . . . . . 0.1 OUTLIER -74.37 -42.23 50.11 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.236 0 CA-C-N 118.882 0.764 . . . . 0.0 111.183 -176.229 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 19' ' ' CYS . . . . . . . . . . . . . 21.2 t -110.23 -41.91 4.29 Favored 'General case' 0 CA--C 1.537 0.455 0 N-CA-C 114.279 1.214 . . . . 0.0 114.279 -167.268 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . -81.07 -61.6 2.1 Favored Glycine 0 N--CA 1.474 1.175 0 C-N-CA 123.997 0.808 . . . . 0.0 112.284 -170.957 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 7.5 tp10 -74.49 -31.96 62.37 Favored 'General case' 0 CA--C 1.54 0.584 0 C-N-CA 125.93 1.692 . . . . 0.0 111.376 171.455 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 22' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 59.63 21.29 9.92 Favored 'General case' 0 CA--C 1.547 0.864 0 C-N-CA 125.568 1.547 . . . . 0.0 113.061 -174.092 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . -119.74 35.44 3.84 Favored Glycine 0 N--CA 1.47 0.922 0 C-N-CA 127.124 2.297 . . . . 0.0 114.022 -170.968 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 24' ' ' HIS . . . . . . . . . . . . . 34.5 p80 -61.98 -13.79 28.94 Favored 'General case' 0 CA--C 1.551 0.987 0 N-CA-C 115.195 1.554 . . . . 0.0 115.195 -179.718 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 25' ' ' PHE . . . . . . . . . . . . . 89.5 t80 -87.2 108.27 18.85 Favored 'General case' 0 CA--C 1.538 0.491 0 C-N-CA 124.631 1.172 . . . . 0.0 110.145 170.777 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 26' ' ' TYR . . . . . . . . . . . . . 7.0 t80 -84.34 147.34 27.23 Favored 'General case' 0 CA--C 1.542 0.645 0 C-N-CA 123.81 0.844 . . . . 0.0 111.742 176.362 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 27' ' ' THR . . . . . 0.407 ' H ' ' CA ' ' B' ' 28' ' ' PRO . 6.0 t -152.9 -13.82 0.0 OUTLIER Pre-proline 0 CA--C 1.554 1.104 0 N-CA-C 118.061 2.615 . . . . 0.0 118.061 -175.319 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 28' ' ' PRO . . . . . 0.407 ' CA ' ' H ' ' B' ' 27' ' ' THR . 86.8 Cg_endo -74.06 153.84 99.34 Favored 'Cis proline' 0 C--N 1.36 1.172 0 CA-C-N 124.78 2.743 . . . . 0.0 113.303 0.283 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 16.1 tppt? -75.96 126.05 30.26 Favored 'General case' 0 CA--C 1.545 0.755 0 C-N-CA 123.214 0.606 . . . . 0.0 110.789 173.208 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 30' ' ' THR . . . . . . . . . . . . . 14.0 t . . . . . 0 C--O 1.253 1.248 0 C-N-CA 126.552 1.941 . . . . 0.0 111.603 -175.457 . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.662 0 CA-C-O 121.146 0.303 . . . . 0.0 112.931 . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 9.9 tp -68.51 -41.29 83.02 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.237 0 C-N-CA 125.082 1.353 . . . . 0.0 113.589 -173.438 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 77.4 t -63.55 -44.12 98.55 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.265 0 C-N-CA 124.196 0.998 . . . . 0.0 111.086 -176.281 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 17.3 pt-20 -74.45 5.08 5.02 Favored 'General case' 0 CA--C 1.545 0.784 0 N-CA-C 113.574 0.953 . . . . 0.0 113.574 176.843 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -101.48 -62.85 1.2 Allowed 'General case' 0 CA--C 1.54 0.582 0 CA-C-N 118.816 0.734 . . . . 0.0 109.355 157.704 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 38.5 m -79.32 -32.06 43.29 Favored 'General case' 0 N--CA 1.472 0.628 0 N-CA-C 115.235 1.568 . . . . 0.0 115.235 -163.581 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 12.2 t -73.63 -20.68 60.52 Favored 'General case' 0 N--CA 1.472 0.66 0 O-C-N 121.472 -0.767 . . . . 0.0 112.908 177.803 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 9.7 t -105.63 -31.23 9.02 Favored 'General case' 0 N--CA 1.473 0.686 0 C-N-CA 125.288 1.435 . . . . 0.0 113.121 -178.32 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 22.8 m -144.31 172.49 12.85 Favored 'General case' 0 CA--C 1.548 0.895 0 C-N-CA 125.544 1.538 . . . . 0.0 112.984 -175.835 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 21.3 mm -60.31 131.99 25.38 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.964 0 O-C-N 120.673 -1.267 . . . . 0.0 111.021 178.309 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 2.9 m -112.97 155.02 25.5 Favored 'General case' 0 N--CA 1.468 0.432 0 C-N-CA 125.438 1.495 . . . . 0.0 112.346 166.123 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 47.2 m -137.42 151.31 48.39 Favored 'General case' 0 C--O 1.236 0.343 0 C-N-CA 125.91 1.684 . . . . 0.0 110.277 -177.585 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 1.7 pt? -56.67 -38.71 72.6 Favored 'General case' 0 N--CA 1.464 0.23 0 C-N-CA 123.83 0.852 . . . . 0.0 112.339 -170.803 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 24.1 p90 -68.67 -12.6 61.59 Favored 'General case' 0 CA--C 1.534 0.364 0 C-N-CA 125.242 1.417 . . . . 0.0 114.389 -175.53 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 3.8 pt20 -119.08 -30.03 5.09 Favored 'General case' 0 C--O 1.222 -0.344 0 C-N-CA 123.37 0.668 . . . . 0.0 111.256 178.541 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -74.04 -30.65 62.52 Favored 'General case' 0 CA--C 1.548 0.868 0 CA-C-N 119.542 1.064 . . . . 0.0 111.4 -177.827 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 23.8 mt-10 -53.16 -29.77 33.4 Favored 'General case' 0 N--CA 1.479 0.982 0 C-N-CA 124.715 1.206 . . . . 0.0 112.796 169.895 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 78.6 m-20 -62.95 -22.21 66.63 Favored 'General case' 0 CA--C 1.539 0.532 0 C-N-CA 123.791 0.836 . . . . 0.0 112.616 -177.799 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 63.5 m-85 -92.08 -11.51 35.58 Favored 'General case' 0 CA--C 1.543 0.709 0 C-N-CA 125.886 1.674 . . . . 0.0 112.8 178.622 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 12.3 t -81.18 -29.11 34.7 Favored 'General case' 0 N--CA 1.473 0.702 0 C-N-CA 123.579 0.752 . . . . 0.0 111.828 165.915 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 12.6 m-80 . . . . . 0 C--O 1.254 1.336 0 C-N-CA 125.683 1.593 . . . . 0.0 112.844 179.453 . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' B' B ' 1' ' ' PHE . . . . . . . . . . . . . 38.7 t80 . . . . . 0 N--CA 1.487 1.417 0 CA-C-O 119.887 -0.101 . . . . 0.0 110.738 . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' B' B ' 2' ' ' VAL . . . . . . . . . . . . . 3.3 p -138.77 123.41 21.4 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.945 0 C-N-CA 125.183 1.393 . . . . 0.0 110.191 173.773 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 3' ' ' ASN . . . . . . . . . . . . . 72.9 m-20 -78.8 118.03 20.47 Favored 'General case' 0 CA--C 1.537 0.443 0 N-CA-C 109.164 -0.68 . . . . 0.0 109.164 173.88 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 4' ' ' GLN . . . . . . . . . . . . . 13.2 pt20 -165.93 -178.13 4.58 Favored 'General case' 0 CA--C 1.537 0.453 0 C-N-CA 124.202 1.001 . . . . 0.0 111.818 -171.609 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 5' ' ' HIS . . . . . . . . . . . . . 70.7 m-70 -77.66 137.98 38.83 Favored 'General case' 0 CA--C 1.544 0.728 0 C-N-CA 124.366 1.067 . . . . 0.0 109.882 167.484 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 80.1 mt -143.76 133.32 23.56 Favored 'General case' 0 N--CA 1.472 0.627 0 C-N-CA 124.716 1.206 . . . . 0.0 110.631 -172.916 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 7' ' ' CYS . . . . . . . . . . . . . 2.6 t -155.42 147.71 23.78 Favored 'General case' 0 N--CA 1.47 0.527 0 C-N-CA 123.56 0.744 . . . . 0.0 111.458 179.233 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 8' ' ' GLY . . . . . . . . . . . . . . . 59.99 -129.04 47.5 Favored Glycine 0 CA--C 1.53 1.03 0 C-N-CA 123.808 0.718 . . . . 0.0 112.26 -179.201 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 9' ' ' SER . . . . . . . . . . . . . 20.3 m -54.8 -36.55 65.06 Favored 'General case' 0 N--CA 1.47 0.539 0 C-N-CA 124.566 1.146 . . . . 0.0 112.998 179.131 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 10' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -64.27 -37.85 88.95 Favored 'General case' 0 N--CA 1.472 0.662 0 O-C-N 121.289 -0.882 . . . . 0.0 112.322 176.337 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 15.8 tp -73.68 -43.28 59.77 Favored 'General case' 0 CA--C 1.535 0.381 0 C-N-CA 124.387 1.075 . . . . 0.0 111.212 178.085 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 74.5 t -59.23 -42.74 87.93 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.022 0 C-N-CA 123.988 0.915 . . . . 0.0 110.983 173.04 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 17.7 mm-40 -60.8 -50.5 73.21 Favored 'General case' 0 N--CA 1.464 0.266 0 CA-C-O 118.273 -0.87 . . . . 0.0 111.57 171.569 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -54.7 -48.97 71.81 Favored 'General case' 0 CA--C 1.534 0.35 0 CA-C-N 120.317 1.417 . . . . 0.0 111.917 179.778 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 4.2 mm? -56.25 -37.24 69.49 Favored 'General case' 0 N--CA 1.471 0.609 0 C-N-CA 123.647 0.779 . . . . 0.0 112.175 174.898 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 16' ' ' TYR . . . . . . . . . . . . . 84.7 t80 -63.12 -45.25 92.86 Favored 'General case' 0 CA--C 1.539 0.543 0 CA-C-N 119.109 0.868 . . . . 0.0 112.413 169.886 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 91.1 mt -66.95 -45.71 76.95 Favored 'General case' 0 CA--C 1.535 0.402 0 O-C-N 121.55 -0.719 . . . . 0.0 112.853 -176.632 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 18' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -70.28 -48.46 60.82 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.073 0 C-N-CA 122.939 0.496 . . . . 0.0 111.847 176.018 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 19' ' ' CYS . . . . . . . . . . . . . 7.9 t -120.83 -39.92 2.68 Favored 'General case' 0 N--CA 1.469 0.512 0 N-CA-C 114.26 1.207 . . . . 0.0 114.26 -163.41 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . -75.64 -30.34 58.22 Favored Glycine 0 N--CA 1.475 1.257 0 O-C-N 121.17 -0.956 . . . . 0.0 113.753 -168.343 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 36.5 tt0 -67.05 -32.64 73.97 Favored 'General case' 0 CA--C 1.544 0.712 0 C-N-CA 124.892 1.277 . . . . 0.0 111.593 173.041 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 22' ' ' ARG . . . . . . . . . . . . . 31.0 mtm105 -80.23 -42.63 22.89 Favored 'General case' 0 N--CA 1.471 0.578 0 C-N-CA 124.165 0.986 . . . . 0.0 112.643 175.051 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . 89.09 -168.27 35.24 Favored Glycine 0 CA--C 1.532 1.154 0 C-N-CA 124.994 1.283 . . . . 0.0 111.649 -162.45 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 24' ' ' HIS . . . . . . . . . . . . . 30.2 p80 -64.91 -19.29 65.85 Favored 'General case' 0 CA--C 1.552 1.028 0 N-CA-C 114.818 1.414 . . . . 0.0 114.818 -177.63 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 25' ' ' PHE . . . . . . . . . . . . . 55.3 t80 -112.68 163.71 14.22 Favored 'General case' 0 CA--C 1.544 0.714 0 C-N-CA 126.46 1.904 . . . . 0.0 111.726 -178.028 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 26' ' ' TYR . . . . . . . . . . . . . 60.3 t80 -68.11 153.25 44.13 Favored 'General case' 0 CA--C 1.545 0.765 0 O-C-N 121.186 -0.946 . . . . 0.0 112.757 173.849 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 27' ' ' THR . . . . . . . . . . . . . 22.0 p -126.97 112.86 21.94 Favored Pre-proline 0 N--CA 1.472 0.647 0 C-N-CA 124.875 1.27 . . . . 0.0 109.506 176.521 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 28' ' ' PRO . . . . . . . . . . . . . 86.0 Cg_endo -75.1 156.37 42.53 Favored 'Trans proline' 0 C--N 1.35 0.645 0 C-N-CA 123.26 2.64 . . . . 0.0 111.56 -176.586 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 30.0 mmtp -93.99 155.95 16.86 Favored 'General case' 0 CA--C 1.545 0.752 0 C-N-CA 124.165 0.986 . . . . 0.0 113.313 -168.329 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 30' ' ' THR . . . . . . . . . . . . . 86.8 m . . . . . 0 N--CA 1.484 1.225 0 C-N-CA 125.273 1.429 . . . . 0.0 111.228 176.96 . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.479 1.56 0 CA-C-O 121.447 0.471 . . . . 0.0 112.838 . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 9.0 tp -71.13 -39.15 73.58 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.081 0 C-N-CA 125.672 1.589 . . . . 0.0 114.45 -170.721 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 74.8 t -68.09 -47.71 77.43 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.089 0 CA-C-N 118.916 0.78 . . . . 0.0 110.501 -173.779 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 12.6 pm0 -70.25 9.13 0.63 Allowed 'General case' 0 CA--C 1.547 0.838 0 C-N-CA 124.638 1.175 . . . . 0.0 113.648 175.942 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 23.9 mm-40 -114.1 -64.98 1.23 Allowed 'General case' 0 CA--C 1.537 0.48 0 C-N-CA 124.805 1.242 . . . . 0.0 110.078 164.787 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 68.7 m -71.0 -32.84 69.76 Favored 'General case' 0 N--CA 1.474 0.751 0 N-CA-C 115.117 1.525 . . . . 0.0 115.117 -173.201 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 26.6 t -74.89 -28.46 60.65 Favored 'General case' 0 N--CA 1.477 0.886 0 O-C-N 121.127 -0.983 . . . . 0.0 113.344 179.637 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 6.9 t -99.5 -21.52 15.9 Favored 'General case' 0 N--CA 1.476 0.841 0 C-N-CA 125.088 1.355 . . . . 0.0 113.357 -177.738 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 94.5 p -156.02 169.43 24.48 Favored 'General case' 0 N--CA 1.468 0.468 0 C-N-CA 124.609 1.164 . . . . 0.0 112.605 -177.34 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 11.6 mt -76.02 122.59 30.4 Favored 'Isoleucine or valine' 0 C--O 1.234 0.258 0 O-C-N 121.388 -0.82 . . . . 0.0 111.254 -177.481 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 29.9 p -109.96 144.07 39.01 Favored 'General case' 0 CA--C 1.537 0.471 0 C-N-CA 125.219 1.408 . . . . 0.0 110.987 175.309 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 42.4 m -93.87 151.47 19.56 Favored 'General case' 0 N--CA 1.471 0.59 0 C-N-CA 123.597 0.759 . . . . 0.0 111.951 179.845 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 1.8 pt? -58.79 -39.58 81.51 Favored 'General case' 0 CA--C 1.531 0.231 0 O-C-N 121.305 -0.872 . . . . 0.0 111.967 -174.318 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 19.1 p90 -69.08 -12.56 61.8 Favored 'General case' 0 CA--C 1.536 0.416 0 C-N-CA 125.043 1.337 . . . . 0.0 114.264 -175.313 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 3.9 pt20 -114.84 -27.6 7.36 Favored 'General case' 0 CA--C 1.532 0.266 0 C-N-CA 124.064 0.946 . . . . 0.0 110.899 178.833 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -71.54 -29.59 64.93 Favored 'General case' 0 CA--C 1.547 0.848 0 CA-C-N 119.385 0.993 . . . . 0.0 111.795 176.917 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 33.7 mt-10 -49.7 -38.72 34.16 Favored 'General case' 0 N--CA 1.481 1.089 0 C-N-CA 124.607 1.163 . . . . 0.0 111.646 168.842 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 1.3 t-20 -62.65 -19.22 63.59 Favored 'General case' 0 CA--C 1.541 0.606 0 C-N-CA 125.155 1.382 . . . . 0.0 113.994 -172.927 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 73.0 m-85 -90.03 -9.2 49.45 Favored 'General case' 0 CA--C 1.543 0.708 0 C-N-CA 125.594 1.558 . . . . 0.0 113.577 177.948 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 36.3 t -69.2 -31.73 70.53 Favored 'General case' 0 N--CA 1.473 0.696 0 N-CA-C 113.368 0.877 . . . . 0.0 113.368 -176.2 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--O 1.252 1.21 0 C-N-CA 125.873 1.669 . . . . 0.0 113.135 178.736 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 1' ' ' PHE . . . . . . . . . . . . . 49.8 t80 . . . . . 0 N--CA 1.487 1.405 0 N-CA-C 110.657 -0.127 . . . . 0.0 110.657 . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' B' B ' 2' ' ' VAL . . . . . . . . . . . . . 11.1 p -144.45 134.56 19.95 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.837 0 C-N-CA 124.88 1.272 . . . . 0.0 108.914 164.764 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 3' ' ' ASN . . . . . . . . . . . . . 9.5 m120 -63.32 111.71 2.39 Favored 'General case' 0 CA--C 1.54 0.576 0 C-N-CA 123.414 0.686 . . . . 0.0 109.554 175.548 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 4' ' ' GLN . . . . . . . . . . . . . 25.1 pt20 -155.4 179.98 8.65 Favored 'General case' 0 CA--C 1.535 0.381 0 C-N-CA 124.952 1.301 . . . . 0.0 110.961 -170.98 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 5' ' ' HIS . . . . . . . . . . . . . 76.7 m-70 -85.79 132.94 34.02 Favored 'General case' 0 CA--C 1.542 0.661 0 C-N-CA 124.119 0.968 . . . . 0.0 110.29 171.632 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 96.0 mt -133.03 129.57 38.27 Favored 'General case' 0 N--CA 1.469 0.496 0 C-N-CA 124.519 1.128 . . . . 0.0 110.635 -174.649 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 7' ' ' CYS . . . . . . . . . . . . . 2.8 t -154.32 146.22 23.5 Favored 'General case' 0 N--CA 1.468 0.442 0 C-N-CA 123.408 0.683 . . . . 0.0 111.606 -179.297 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 8' ' ' GLY . . . . . . . . . . . . . . . 58.62 -126.79 43.55 Favored Glycine 0 CA--C 1.529 0.966 0 C-N-CA 123.913 0.768 . . . . 0.0 112.159 -179.388 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 9' ' ' SER . . . . . . . . . . . . . 20.2 m -53.54 -40.04 65.17 Favored 'General case' 0 N--CA 1.469 0.507 0 C-N-CA 124.538 1.135 . . . . 0.0 112.675 178.005 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 10' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -62.79 -38.0 88.92 Favored 'General case' 0 N--CA 1.472 0.643 0 O-C-N 121.157 -0.964 . . . . 0.0 112.499 177.829 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 16.4 tp -71.93 -44.18 64.06 Favored 'General case' 0 CA--C 1.535 0.384 0 C-N-CA 124.282 1.033 . . . . 0.0 110.883 177.99 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 74.8 t -59.6 -43.68 91.6 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.028 0 C-N-CA 123.973 0.909 . . . . 0.0 111.148 173.567 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 24.5 mt-10 -59.58 -46.57 88.54 Favored 'General case' 0 N--CA 1.465 0.313 0 C-N-CA 124.151 0.981 . . . . 0.0 112.029 173.817 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -61.38 -48.75 79.85 Favored 'General case' 0 CA--C 1.531 0.249 0 CA-C-N 119.298 0.954 . . . . 0.0 111.684 177.47 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 3.8 mm? -55.77 -38.26 69.63 Favored 'General case' 0 N--CA 1.469 0.506 0 CA-C-N 118.906 0.775 . . . . 0.0 111.963 176.509 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 16' ' ' TYR . . . . . . . . . . . . . 88.1 t80 -61.18 -43.51 98.76 Favored 'General case' 0 CA--C 1.537 0.472 0 CA-C-N 119.486 1.039 . . . . 0.0 112.439 171.561 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 95.8 mt -69.42 -47.72 63.22 Favored 'General case' 0 CA--C 1.536 0.409 0 O-C-N 121.63 -0.669 . . . . 0.0 112.685 -178.739 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 18' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -78.79 -35.41 18.18 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.28 0 CA-C-N 118.722 0.692 . . . . 0.0 112.754 -177.279 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 19' ' ' CYS . . . . . . . . . . . . . 22.1 t -115.42 -45.58 2.91 Favored 'General case' 0 CA--C 1.538 0.506 0 N-CA-C 113.326 0.862 . . . . 0.0 113.326 -172.909 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . -66.57 -40.56 94.2 Favored Glycine 0 N--CA 1.474 1.175 0 O-C-N 121.412 -0.805 . . . . 0.0 113.649 -170.951 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 41.8 tt0 -52.86 -31.72 40.89 Favored 'General case' 0 CA--C 1.543 0.678 0 C-N-CA 127.158 2.183 . . . . 0.0 112.555 171.66 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 22' ' ' ARG . . . . . . . . . . . . . 12.0 mmt85 -84.82 5.68 27.66 Favored 'General case' 0 CA--C 1.544 0.72 0 C-N-CA 125.69 1.596 . . . . 0.0 113.15 -175.534 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . 121.11 -21.53 8.23 Favored Glycine 0 N--CA 1.473 1.138 0 C-N-CA 126.346 1.926 . . . . 0.0 114.84 175.507 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 24' ' ' HIS . . . . . . . . . . . . . 94.0 m-70 -68.35 -15.71 63.66 Favored 'General case' 0 CA--C 1.547 0.846 0 N-CA-C 114.546 1.313 . . . . 0.0 114.546 -174.933 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 25' ' ' PHE . . . . . . . . . . . . . 49.0 m-85 -130.75 49.07 2.35 Favored 'General case' 0 N--CA 1.469 0.517 0 C-N-CA 124.931 1.292 . . . . 0.0 112.259 168.192 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 26' ' ' TYR . . . . . . . . . . . . . 38.6 t80 -101.79 142.0 33.79 Favored 'General case' 0 C--O 1.237 0.441 0 CA-C-N 114.267 -1.333 . . . . 0.0 109.68 148.146 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 27' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -133.35 -37.62 0.03 OUTLIER Pre-proline 0 N--CA 1.471 0.591 0 N-CA-C 117.075 2.25 . . . . 0.0 117.075 -157.974 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 28' ' ' PRO . . . . . . . . . . . . . 97.7 Cg_endo -67.5 145.9 75.16 Favored 'Cis proline' 0 C--N 1.353 0.789 0 CA-C-N 123.378 2.242 . . . . 0.0 112.7 3.565 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 20.3 ttpp -74.35 145.74 43.61 Favored 'General case' 0 CA--C 1.546 0.821 0 CA-C-N 115.251 -0.886 . . . . 0.0 112.824 -169.929 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 30' ' ' THR . . . . . . . . . . . . . 19.1 p . . . . . 0 C--O 1.254 1.334 0 C-N-CA 125.411 1.484 . . . . 0.0 112.778 168.336 . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.699 0 CA-C-O 121.093 0.274 . . . . 0.0 112.769 . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 8.2 tp -69.69 -41.35 80.04 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.137 0 C-N-CA 124.703 1.201 . . . . 0.0 114.039 -174.294 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 90.2 t -62.16 -45.75 98.03 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.194 0 O-C-N 121.371 -0.83 . . . . 0.0 110.696 -175.064 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 15.9 pt-20 -71.69 3.5 4.0 Favored 'General case' 0 CA--C 1.545 0.787 0 N-CA-C 113.886 1.069 . . . . 0.0 113.886 177.725 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 22.2 mm-40 -120.01 -25.15 5.86 Favored 'General case' 0 CA--C 1.541 0.614 0 C-N-CA 124.263 1.025 . . . . 0.0 113.531 174.914 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 53.1 m -107.26 -29.38 9.35 Favored 'General case' 0 N--CA 1.478 0.973 0 N-CA-C 115.49 1.663 . . . . 0.0 115.49 176.387 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 48.8 t -81.67 -37.81 26.87 Favored 'General case' 0 N--CA 1.479 0.983 0 N-CA-C 113.928 1.084 . . . . 0.0 113.928 -177.865 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 9.6 t -80.09 -29.35 39.06 Favored 'General case' 0 N--CA 1.48 1.031 0 C-N-CA 124.897 1.279 . . . . 0.0 113.071 -178.348 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 94.0 p -160.35 167.43 27.42 Favored 'General case' 0 CA--C 1.536 0.436 0 C-N-CA 126.171 1.788 . . . . 0.0 110.752 -175.652 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 14.0 mt -72.81 129.14 36.02 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.515 0 O-C-N 121.568 -0.707 . . . . 0.0 111.952 -170.666 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 30.8 p -108.86 168.31 9.45 Favored 'General case' 0 CA--C 1.54 0.588 0 C-N-CA 125.302 1.441 . . . . 0.0 112.115 173.246 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 59.0 m -122.4 149.06 44.33 Favored 'General case' 0 N--CA 1.467 0.406 0 C-N-CA 124.189 0.995 . . . . 0.0 111.581 -177.25 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 2.0 pt? -55.88 -41.32 74.25 Favored 'General case' 0 N--CA 1.464 0.23 0 C-N-CA 124.067 0.947 . . . . 0.0 111.833 -173.14 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 14.9 p90 -67.12 -13.14 61.66 Favored 'General case' 0 CA--C 1.535 0.393 0 C-N-CA 125.139 1.376 . . . . 0.0 114.399 -175.075 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 14.6 pt20 -117.59 -28.59 6.0 Favored 'General case' 0 CA--C 1.532 0.276 0 C-N-CA 123.72 0.808 . . . . 0.0 111.181 178.778 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -70.61 -30.78 67.54 Favored 'General case' 0 CA--C 1.548 0.881 0 CA-C-N 119.302 0.955 . . . . 0.0 111.779 176.478 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 26.2 mt-10 -48.51 -39.52 23.53 Favored 'General case' 0 N--CA 1.481 1.095 0 C-N-CA 124.785 1.234 . . . . 0.0 111.649 169.924 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 1.7 t-20 -59.31 -28.32 66.68 Favored 'General case' 0 CA--C 1.542 0.644 0 C-N-CA 124.741 1.216 . . . . 0.0 113.441 -172.68 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 76.0 m-85 -80.16 -9.58 59.72 Favored 'General case' 0 CA--C 1.543 0.683 0 C-N-CA 125.495 1.518 . . . . 0.0 113.352 -179.15 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 12.6 t -71.47 -25.59 62.35 Favored 'General case' 0 CA--C 1.542 0.662 0 C-N-CA 123.76 0.824 . . . . 0.0 113.18 176.043 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 C--O 1.254 1.3 0 C-N-CA 125.801 1.64 . . . . 0.0 111.914 178.678 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 1' ' ' PHE . . . . . . . . . . . . . 68.9 t80 . . . . . 0 N--CA 1.487 1.39 0 CA-C-O 119.807 -0.14 . . . . 0.0 110.723 . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' B' B ' 2' ' ' VAL . . . . . . . . . . . . . 90.9 t -132.12 122.44 48.68 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.93 0 C-N-CA 124.976 1.31 . . . . 0.0 108.348 170.192 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 3' ' ' ASN . . . . . . . . . . . . . 10.3 m120 -64.62 115.83 5.6 Favored 'General case' 0 CA--C 1.539 0.534 0 C-N-CA 123.665 0.786 . . . . 0.0 109.983 172.206 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 4' ' ' GLN . . . . . . . . . . . . . 13.4 pt20 -160.06 -179.97 8.23 Favored 'General case' 0 CA--C 1.536 0.429 0 C-N-CA 125.277 1.431 . . . . 0.0 110.439 -171.119 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 5' ' ' HIS . . . . . . . . . . . . . 75.6 m-70 -84.29 124.97 31.81 Favored 'General case' 0 CA--C 1.542 0.641 0 C-N-CA 123.696 0.798 . . . . 0.0 109.944 171.256 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 96.5 mt -126.22 129.56 49.2 Favored 'General case' 0 N--CA 1.468 0.464 0 C-N-CA 124.606 1.162 . . . . 0.0 110.538 -175.217 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 7' ' ' CYS . . . . . . . . . . . . . 1.3 t -152.75 146.25 24.95 Favored 'General case' 0 N--CA 1.468 0.428 0 C-N-CA 123.595 0.758 . . . . 0.0 111.324 -177.576 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 8' ' ' GLY . . . . . . . . . . . . . . . 57.01 -125.94 40.48 Favored Glycine 0 CA--C 1.529 0.944 0 C-N-CA 123.944 0.783 . . . . 0.0 112.705 179.143 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 9' ' ' SER . . . . . . . . . . . . . 8.7 t -55.4 -39.3 70.02 Favored 'General case' 0 N--CA 1.472 0.659 0 C-N-CA 123.88 0.872 . . . . 0.0 112.53 178.761 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 10' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -62.52 -37.26 85.37 Favored 'General case' 0 N--CA 1.474 0.768 0 O-C-N 120.758 -1.214 . . . . 0.0 112.503 177.096 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 17.7 tp -72.44 -43.43 63.8 Favored 'General case' 0 CA--C 1.535 0.399 0 C-N-CA 124.341 1.056 . . . . 0.0 110.96 177.837 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 76.4 t -59.65 -43.25 90.82 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.979 0 C-N-CA 123.931 0.892 . . . . 0.0 111.18 172.947 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 24.0 mt-10 -58.99 -46.77 87.34 Favored 'General case' 0 N--CA 1.466 0.347 0 C-N-CA 123.827 0.851 . . . . 0.0 112.085 173.373 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -60.62 -49.44 77.53 Favored 'General case' 0 CA--C 1.532 0.255 0 CA-C-N 119.327 0.967 . . . . 0.0 111.635 177.349 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 3.9 mm? -54.33 -38.97 66.61 Favored 'General case' 0 N--CA 1.471 0.602 0 CA-C-N 118.764 0.711 . . . . 0.0 111.857 176.553 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 16' ' ' TYR . . . . . . . . . . . . . 74.8 t80 -61.88 -43.33 99.06 Favored 'General case' 0 CA--C 1.538 0.487 0 CA-C-N 119.101 0.864 . . . . 0.0 112.548 172.175 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 95.3 mt -69.81 -45.65 67.44 Favored 'General case' 0 CA--C 1.536 0.411 0 O-C-N 121.238 -0.914 . . . . 0.0 112.944 -178.896 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 18' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -78.62 -35.98 19.28 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.333 0 CA-C-N 118.717 0.69 . . . . 0.0 112.463 -178.023 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 19' ' ' CYS . . . . . . . . . . . . . 31.4 t -114.45 -49.9 2.81 Favored 'General case' 0 CA--C 1.536 0.412 0 N-CA-C 113.801 1.037 . . . . 0.0 113.801 -175.038 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . -73.27 -31.44 61.34 Favored Glycine 0 N--CA 1.476 1.339 0 N-CA-C 115.11 0.804 . . . . 0.0 115.11 -163.442 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 11.1 tp10 -81.35 -37.4 28.34 Favored 'General case' 0 CA--C 1.543 0.707 0 C-N-CA 125.486 1.514 . . . . 0.0 111.279 172.93 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 22' ' ' ARG . . . . . . . . . . . . . 51.3 mmm-85 -73.43 -47.89 38.16 Favored 'General case' 0 N--CA 1.472 0.626 0 C-N-CA 124.288 1.035 . . . . 0.0 111.939 -176.035 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . -98.0 81.21 0.63 Allowed Glycine 0 N--CA 1.466 0.676 0 N-CA-C 108.543 -1.823 . . . . 0.0 108.543 166.128 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 24' ' ' HIS . . . . . . . . . . . . . 19.4 p80 -54.59 146.16 17.16 Favored 'General case' 0 CA--C 1.549 0.928 0 N-CA-C 114.928 1.455 . . . . 0.0 114.928 -167.456 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 25' ' ' PHE . . . . . . . . . . . . . 32.6 t80 59.79 52.58 5.35 Favored 'General case' 0 CA--C 1.541 0.634 0 C-N-CA 126.115 1.766 . . . . 0.0 112.329 -178.096 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 26' ' ' TYR . . . . . . . . . . . . . 55.6 t80 -67.68 145.5 54.72 Favored 'General case' 0 CA--C 1.54 0.591 0 C-N-CA 124.205 1.002 . . . . 0.0 112.199 173.285 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 27' ' ' THR . . . . . . . . . . . . . 21.2 p -118.19 111.2 38.77 Favored Pre-proline 0 N--CA 1.472 0.645 0 C-N-CA 126.005 1.722 . . . . 0.0 108.8 175.699 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 28' ' ' PRO . . . . . . . . . . . . . 86.9 Cg_endo -76.25 157.02 37.65 Favored 'Trans proline' 0 C--N 1.349 0.564 0 C-N-CA 123.059 2.506 . . . . 0.0 111.748 -176.224 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -158.96 158.85 34.08 Favored 'General case' 0 CA--C 1.545 0.769 0 C-N-CA 125.508 1.523 . . . . 0.0 113.012 -174.517 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 30' ' ' THR . . . . . . . . . . . . . 17.9 p . . . . . 0 C--O 1.253 1.279 0 C-N-CA 125.795 1.638 . . . . 0.0 113.189 177.44 . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.482 1.739 0 CA-C-O 121.246 0.359 . . . . 0.0 112.91 . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 7.4 tp -68.16 -34.62 67.57 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.187 0 N-CA-C 114.305 1.224 . . . . 0.0 114.305 -172.998 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 92.2 t -66.73 -44.2 89.58 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.14 0 O-C-N 120.986 -1.071 . . . . 0.0 110.725 -179.67 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 17.6 pt-20 -74.23 -4.55 36.68 Favored 'General case' 0 CA--C 1.547 0.856 0 N-CA-C 113.508 0.929 . . . . 0.0 113.508 174.102 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 11.2 tp60 -92.24 -44.04 8.97 Favored 'General case' 0 CA--C 1.54 0.577 0 C-N-CA 124.15 0.98 . . . . 0.0 111.581 170.467 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 98.4 m -114.37 -23.68 9.26 Favored 'General case' 0 N--CA 1.477 0.906 0 N-CA-C 116.61 2.078 . . . . 0.0 116.61 -168.845 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 42.2 t -85.74 -40.74 15.77 Favored 'General case' 0 N--CA 1.48 1.029 0 CA-C-N 119.603 1.092 . . . . 0.0 113.886 -178.464 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 6.9 t -75.99 -29.85 58.34 Favored 'General case' 0 N--CA 1.479 0.979 0 C-N-CA 124.766 1.226 . . . . 0.0 112.965 -179.481 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 83.7 p -159.24 168.13 27.25 Favored 'General case' 0 CA--C 1.535 0.393 0 C-N-CA 126.005 1.722 . . . . 0.0 110.789 -179.068 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 15.6 mt -73.55 127.19 35.29 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.51 0 O-C-N 121.613 -0.68 . . . . 0.0 111.687 -171.606 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 30.1 p -103.61 154.4 19.55 Favored 'General case' 0 CA--C 1.537 0.454 0 C-N-CA 124.836 1.255 . . . . 0.0 111.902 171.339 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 69.1 m -94.1 153.25 18.23 Favored 'General case' 0 N--CA 1.47 0.548 0 CA-C-O 121.612 0.72 . . . . 0.0 112.161 170.988 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 1.7 pt? -58.67 -40.92 84.89 Favored 'General case' 0 N--CA 1.465 0.291 0 O-C-N 121.405 -0.809 . . . . 0.0 112.116 -177.296 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 22.8 p90 -68.17 -14.69 63.17 Favored 'General case' 0 CA--C 1.536 0.42 0 N-CA-C 114.235 1.198 . . . . 0.0 114.235 -173.974 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 3.5 pt20 -109.86 -29.43 8.29 Favored 'General case' 0 C--O 1.223 -0.335 0 C-N-CA 124.034 0.933 . . . . 0.0 110.676 177.6 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -70.27 -28.74 65.46 Favored 'General case' 0 CA--C 1.548 0.895 0 CA-C-N 119.802 1.183 . . . . 0.0 111.891 175.547 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 28.8 mt-10 -49.41 -36.48 22.26 Favored 'General case' 0 N--CA 1.48 1.026 0 C-N-CA 124.655 1.182 . . . . 0.0 112.066 170.411 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 5.6 m120 -60.06 -25.88 65.71 Favored 'General case' 0 CA--C 1.542 0.661 0 C-N-CA 124.981 1.313 . . . . 0.0 112.811 -173.433 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 84.1 m-85 -86.81 -6.42 58.82 Favored 'General case' 0 CA--C 1.542 0.649 0 C-N-CA 125.983 1.713 . . . . 0.0 113.55 -176.597 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 17.2 t -70.25 -25.84 63.56 Favored 'General case' 0 CA--C 1.545 0.778 0 C-N-CA 123.719 0.808 . . . . 0.0 113.021 173.647 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 C--O 1.252 1.227 0 C-N-CA 126.1 1.76 . . . . 0.0 111.823 177.107 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 1' ' ' PHE . . . . . . . . . . . . . 47.9 t80 . . . . . 0 N--CA 1.487 1.415 0 CA-C-O 119.562 -0.256 . . . . 0.0 110.649 . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' B' B ' 2' ' ' VAL . . . . . . . . . . . . . 89.3 t -132.15 118.41 36.58 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.986 0 C-N-CA 124.794 1.238 . . . . 0.0 109.128 173.654 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 3' ' ' ASN . . . . . . . . . . . . . 72.4 m-20 -64.28 123.78 20.02 Favored 'General case' 0 CA--C 1.538 0.511 0 CA-C-O 121.158 0.504 . . . . 0.0 110.201 167.491 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 4' ' ' GLN . . . . . . . . . . . . . 11.5 pt20 -161.98 -176.43 5.19 Favored 'General case' 0 CA--C 1.536 0.423 0 C-N-CA 125.56 1.544 . . . . 0.0 109.815 -171.951 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 5' ' ' HIS . . . . . . . . . . . . . 82.4 m-70 -84.89 122.64 29.47 Favored 'General case' 0 CA--C 1.541 0.633 0 C-N-CA 123.552 0.741 . . . . 0.0 110.168 171.515 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 97.2 mt -127.57 128.81 46.24 Favored 'General case' 0 N--CA 1.468 0.468 0 C-N-CA 124.699 1.2 . . . . 0.0 110.861 -172.923 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 7' ' ' CYS . . . . . . . . . . . . . 0.4 OUTLIER -151.19 149.13 29.08 Favored 'General case' 0 N--CA 1.468 0.453 0 C-N-CA 124.117 0.967 . . . . 0.0 111.236 -178.291 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 8' ' ' GLY . . . . . . . . . . . . . . . 58.16 -127.56 45.41 Favored Glycine 0 N--CA 1.472 1.073 0 C-N-CA 123.879 0.752 . . . . 0.0 112.693 178.694 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 9' ' ' SER . . . . . . . . . . . . . 9.0 t -53.7 -42.83 68.44 Favored 'General case' 0 N--CA 1.473 0.715 0 C-N-CA 123.544 0.738 . . . . 0.0 111.941 176.767 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 10' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -59.9 -35.95 75.94 Favored 'General case' 0 N--CA 1.473 0.679 0 O-C-N 121.157 -0.964 . . . . 0.0 112.655 179.355 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 18.1 tp -73.95 -45.0 53.04 Favored 'General case' 0 CA--C 1.536 0.421 0 C-N-CA 124.177 0.991 . . . . 0.0 111.203 178.41 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 92.9 t -60.78 -41.54 88.89 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.114 0 C-N-CA 123.857 0.863 . . . . 0.0 111.198 173.601 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 21.3 mt-10 -59.45 -47.97 83.45 Favored 'General case' 0 N--CA 1.464 0.244 0 C-N-CA 125.013 1.325 . . . . 0.0 111.787 173.235 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -60.66 -47.82 84.53 Favored 'General case' 0 CA--C 1.531 0.24 0 CA-C-N 119.383 0.992 . . . . 0.0 111.695 176.799 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 3.8 mm? -54.52 -39.28 67.46 Favored 'General case' 0 N--CA 1.469 0.489 0 CA-C-N 118.729 0.695 . . . . 0.0 111.779 176.161 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 16' ' ' TYR . . . . . . . . . . . . . 75.8 t80 -62.39 -44.12 97.21 Favored 'General case' 0 CA--C 1.539 0.552 0 CA-C-N 119.049 0.841 . . . . 0.0 112.444 171.779 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 95.9 mt -68.69 -37.52 79.62 Favored 'General case' 0 CA--C 1.538 0.497 0 N-CA-C 113.365 0.876 . . . . 0.0 113.365 -178.844 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 18' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -83.32 -40.0 15.76 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.338 0 CA-C-N 118.972 0.805 . . . . 0.0 112.436 178.95 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 19' ' ' CYS . . . . . . . . . . . . . 19.5 t -106.76 -47.31 3.76 Favored 'General case' 0 CA--C 1.54 0.589 0 N-CA-C 114.031 1.123 . . . . 0.0 114.031 -172.381 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . -76.98 -55.01 4.59 Favored Glycine 0 N--CA 1.474 1.202 0 C-N-CA 124.43 1.014 . . . . 0.0 113.482 -166.567 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 8.1 tp10 -56.31 -35.83 67.98 Favored 'General case' 0 CA--C 1.542 0.641 0 C-N-CA 126.186 1.794 . . . . 0.0 111.786 176.553 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 22' ' ' ARG . . . . . . . . . . . . . 53.8 mtt180 -85.14 -3.22 58.73 Favored 'General case' 0 CA--C 1.545 0.755 0 C-N-CA 125.254 1.422 . . . . 0.0 113.137 -179.354 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . -96.85 -51.18 1.68 Allowed Glycine 0 N--CA 1.469 0.844 0 C-N-CA 126.016 1.77 . . . . 0.0 112.986 -176.237 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 24' ' ' HIS . . . . . . . . . . . . . 6.4 p80 -71.9 -20.38 61.79 Favored 'General case' 0 CA--C 1.549 0.916 0 N-CA-C 114.017 1.117 . . . . 0.0 114.017 -179.468 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 25' ' ' PHE . . . . . . . . . . . . . 65.7 t80 -157.96 158.92 35.86 Favored 'General case' 0 CA--C 1.541 0.603 0 C-N-CA 126.622 1.969 . . . . 0.0 110.507 -177.886 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 26' ' ' TYR . . . . . . . . . . . . . 55.4 t80 -71.01 149.68 46.37 Favored 'General case' 0 CA--C 1.543 0.69 0 N-CA-C 113.315 0.857 . . . . 0.0 113.315 179.978 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 27' ' ' THR . . . . . . . . . . . . . 23.0 p -127.53 121.13 22.2 Favored Pre-proline 0 N--CA 1.474 0.729 0 C-N-CA 125.371 1.468 . . . . 0.0 109.384 171.302 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 28' ' ' PRO . . . . . . . . . . . . . 94.0 Cg_endo -77.12 158.24 33.89 Favored 'Trans proline' 0 C--N 1.35 0.657 0 C-N-CA 123.32 2.68 . . . . 0.0 111.993 -174.969 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 43.9 mmtm -98.84 159.7 14.78 Favored 'General case' 0 CA--C 1.545 0.767 0 C-N-CA 124.494 1.118 . . . . 0.0 113.131 -172.769 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 30' ' ' THR . . . . . . . . . . . . . 86.1 m . . . . . 0 C--O 1.253 1.269 0 C-N-CA 125.276 1.43 . . . . 0.0 111.176 175.791 . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.572 0 CA-C-O 121.474 0.486 . . . . 0.0 112.776 . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 7.6 tp -72.63 -32.86 42.81 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.073 0 C-N-CA 125.072 1.349 . . . . 0.0 114.466 -174.003 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 74.3 t -64.86 -49.67 78.84 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.155 0 CA-C-N 119.869 1.213 . . . . 0.0 110.441 -175.133 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 12.4 pm0 -70.05 2.18 3.86 Favored 'General case' 0 CA--C 1.546 0.802 0 C-N-CA 124.552 1.141 . . . . 0.0 113.771 175.995 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 12.4 tp60 -101.51 -61.84 1.33 Allowed 'General case' 0 CA--C 1.538 0.494 0 C-N-CA 124.029 0.932 . . . . 0.0 110.606 163.183 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 1.8 t -89.38 -22.04 22.78 Favored 'General case' 0 CA--C 1.542 0.651 0 N-CA-C 114.995 1.48 . . . . 0.0 114.995 -164.854 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 26.4 t -75.04 -26.71 59.65 Favored 'General case' 0 N--CA 1.476 0.862 0 O-C-N 121.149 -0.969 . . . . 0.0 113.328 172.942 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 7.5 t -96.12 -33.74 11.96 Favored 'General case' 0 N--CA 1.476 0.863 0 C-N-CA 124.953 1.301 . . . . 0.0 113.045 -178.451 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 91.8 p -151.04 170.74 18.64 Favored 'General case' 0 N--CA 1.47 0.531 0 C-N-CA 125.095 1.358 . . . . 0.0 111.46 -179.255 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 15.9 mt -72.84 127.0 34.49 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.68 0 O-C-N 120.399 -1.438 . . . . 0.0 111.807 -171.097 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 15.4 p -105.54 148.99 26.65 Favored 'General case' 0 CA--C 1.538 0.483 0 C-N-CA 123.839 0.855 . . . . 0.0 112.039 166.218 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 50.8 m -103.43 155.96 18.11 Favored 'General case' 0 N--CA 1.471 0.583 0 C-N-CA 124.486 1.114 . . . . 0.0 112.144 175.583 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . 0.416 ' H ' HD21 ' A' ' 13' ' ' LEU . 1.5 pt? -58.7 -40.03 82.45 Favored 'General case' 0 CA--C 1.531 0.239 0 O-C-N 121.224 -0.923 . . . . 0.0 112.352 -172.827 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 21.6 p90 -68.38 -13.92 62.63 Favored 'General case' 0 CA--C 1.536 0.418 0 C-N-CA 125.133 1.373 . . . . 0.0 114.188 -174.13 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 3.9 pt20 -116.53 -24.74 7.69 Favored 'General case' 0 CA--C 1.535 0.389 0 C-N-CA 124.638 1.175 . . . . 0.0 111.313 179.67 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -75.09 -28.75 60.42 Favored 'General case' 0 CA--C 1.545 0.753 0 CA-C-N 119.344 0.975 . . . . 0.0 112.151 176.931 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 35.7 mt-10 -53.27 -34.97 59.44 Favored 'General case' 0 N--CA 1.481 1.092 0 C-N-CA 123.843 0.857 . . . . 0.0 111.678 170.939 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 1.7 t-20 -57.03 -27.99 62.11 Favored 'General case' 0 CA--C 1.544 0.713 0 C-N-CA 124.533 1.133 . . . . 0.0 113.233 -177.501 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 87.8 m-85 -82.82 -11.68 58.05 Favored 'General case' 0 CA--C 1.542 0.662 0 C-N-CA 125.655 1.582 . . . . 0.0 113.665 179.186 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 11.4 t -74.01 -24.6 59.6 Favored 'General case' 0 CA--C 1.544 0.749 0 C-N-CA 123.87 0.868 . . . . 0.0 112.912 177.042 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 C--O 1.253 1.285 0 C-N-CA 126.19 1.796 . . . . 0.0 111.989 177.538 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 1' ' ' PHE . . . . . . . . . . . . . 48.1 t80 . . . . . 0 N--CA 1.487 1.411 0 CA-C-O 119.387 -0.34 . . . . 0.0 110.439 . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' B' B ' 2' ' ' VAL . . . . . . . . . . . . . 3.5 m -129.83 118.84 45.89 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.032 0 C-N-CA 124.802 1.241 . . . . 0.0 110.664 173.847 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 3' ' ' ASN . . . . . . . . . . . . . 85.2 m-20 -79.83 111.3 16.02 Favored 'General case' 0 CA--C 1.536 0.429 0 N-CA-C 109.048 -0.723 . . . . 0.0 109.048 171.874 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 4' ' ' GLN . . . . . . . . . . . . . 9.3 pt20 -161.74 -177.98 6.22 Favored 'General case' 0 CA--C 1.534 0.332 0 C-N-CA 125.354 1.461 . . . . 0.0 110.847 -175.173 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 5' ' ' HIS . . . . . . . . . . . . . 65.7 m-70 -72.76 135.37 45.29 Favored 'General case' 0 CA--C 1.541 0.606 0 C-N-CA 124.042 0.937 . . . . 0.0 109.569 168.487 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 92.3 mt -140.73 135.2 31.31 Favored 'General case' 0 N--CA 1.468 0.43 0 C-N-CA 124.794 1.238 . . . . 0.0 109.828 -175.981 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 7' ' ' CYS . . . . . . . . . . . . . 2.0 t -155.75 146.16 21.82 Favored 'General case' 0 N--CA 1.468 0.473 0 C-N-CA 123.233 0.613 . . . . 0.0 111.657 -177.619 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 8' ' ' GLY . . . . . . . . . . . . . . . 58.32 -127.28 44.76 Favored Glycine 0 CA--C 1.529 0.936 0 C-N-CA 123.815 0.721 . . . . 0.0 112.053 -178.656 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 9' ' ' SER . . . . . . . . . . . . . 20.1 m -53.18 -40.05 64.09 Favored 'General case' 0 N--CA 1.47 0.533 0 C-N-CA 124.621 1.168 . . . . 0.0 112.704 178.307 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 10' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -63.08 -36.93 85.22 Favored 'General case' 0 CA--C 1.542 0.656 0 O-C-N 121.203 -0.936 . . . . 0.0 112.6 178.442 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 15.1 tp -74.16 -43.33 57.79 Favored 'General case' 0 CA--C 1.536 0.415 0 C-N-CA 124.395 1.078 . . . . 0.0 110.923 177.856 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 71.2 t -59.53 -43.51 90.98 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.082 0 C-N-CA 123.971 0.908 . . . . 0.0 111.163 173.195 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 25.3 mt-10 -59.15 -46.93 87.09 Favored 'General case' 0 N--CA 1.466 0.363 0 C-N-CA 124.208 1.003 . . . . 0.0 111.947 173.37 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -60.68 -48.22 82.77 Favored 'General case' 0 CA--C 1.534 0.354 0 CA-C-N 119.169 0.895 . . . . 0.0 111.992 177.344 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 3.9 mm? -56.58 -38.13 71.54 Favored 'General case' 0 N--CA 1.469 0.518 0 CA-C-N 118.692 0.678 . . . . 0.0 111.893 176.241 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 16' ' ' TYR . . . . . . . . . . . . . 83.8 t80 -61.33 -46.76 88.91 Favored 'General case' 0 CA--C 1.536 0.41 0 CA-C-N 119.179 0.899 . . . . 0.0 112.08 171.034 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 96.8 mt -62.34 -49.18 76.62 Favored 'General case' 0 CA--C 1.537 0.447 0 CA-C-N 118.675 0.671 . . . . 0.0 112.273 -179.605 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 18' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -77.68 -41.24 28.55 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.185 0 CA-C-N 118.521 0.601 . . . . 0.0 112.525 -176.097 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 19' ' ' CYS . . . . . . . . . . . . . 18.0 t -110.77 -39.2 4.92 Favored 'General case' 0 CA--C 1.541 0.609 0 N-CA-C 114.101 1.149 . . . . 0.0 114.101 -169.723 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . -81.69 -36.57 19.1 Favored Glycine 0 N--CA 1.476 1.304 0 C-N-CA 123.89 0.757 . . . . 0.0 114.03 -170.014 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 16.8 tt0 -81.0 1.93 29.13 Favored 'General case' 0 CA--C 1.547 0.839 0 C-N-CA 125.592 1.557 . . . . 0.0 113.176 -178.134 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 22' ' ' ARG . . . . . . . . . . . . . 34.6 mmt180 -57.49 -5.21 0.31 Allowed 'General case' 0 N--CA 1.477 0.876 0 C-N-CA 126.507 1.923 . . . . 0.0 115.953 -178.633 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . -64.18 -25.72 69.88 Favored Glycine 0 CA--C 1.534 1.228 0 C-N-CA 124.647 1.117 . . . . 0.0 113.798 168.635 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 24' ' ' HIS . . . . . . . . . . . . . 26.4 p80 -143.34 -24.16 0.6 Allowed 'General case' 0 CA--C 1.55 0.951 0 C-N-CA 125.043 1.337 . . . . 0.0 114.603 171.801 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 25' ' ' PHE . . . . . . . . . . . . . 24.5 t80 58.4 64.84 1.38 Allowed 'General case' 0 CA--C 1.539 0.547 0 C-N-CA 127.802 2.441 . . . . 0.0 113.872 173.631 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 26' ' ' TYR . . . . . . . . . . . . . 71.8 t80 -65.36 151.43 46.29 Favored 'General case' 0 CA--C 1.544 0.731 0 O-C-N 121.723 -0.61 . . . . 0.0 111.201 159.003 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 27' ' ' THR . . . . . . . . . . . . . 29.6 p -126.76 119.42 22.7 Favored Pre-proline 0 N--CA 1.472 0.636 0 C-N-CA 125.099 1.359 . . . . 0.0 108.963 173.84 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 28' ' ' PRO . . . . . . . . . . . . . 69.7 Cg_endo -82.28 155.24 16.71 Favored 'Trans proline' 0 C--N 1.348 0.54 0 C-N-CA 122.787 2.325 . . . . 0.0 111.326 179.465 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -159.55 165.34 33.1 Favored 'General case' 0 CA--C 1.549 0.913 0 C-N-CA 126.264 1.826 . . . . 0.0 112.781 -179.171 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 30' ' ' THR . . . . . . . . . . . . . 25.2 m . . . . . 0 N--CA 1.488 1.432 0 C-N-CA 128.721 2.808 . . . . 0.0 112.026 174.81 . . . . . . . . 0 0 . 1 . 021 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.482 1.704 0 N-CA-C 112.231 -0.348 . . . . 0.0 112.231 . . . . . . . . . 0 0 . 1 . 021 nuclear orig full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 6.8 tp -57.26 -33.11 42.63 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.324 0 C-N-CA 125.416 1.486 . . . . 0.0 114.121 -171.639 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 93.5 t -58.71 -36.22 59.37 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.977 0 C-N-CA 123.96 0.904 . . . . 0.0 111.07 176.287 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 37.9 mt-10 -77.93 0.58 23.65 Favored 'General case' 0 CA--C 1.543 0.706 0 C-N-CA 124.455 1.102 . . . . 0.0 112.947 179.255 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 18.3 tp60 -111.02 -50.11 2.97 Favored 'General case' 0 CA--C 1.536 0.426 0 C-N-CA 124.497 1.119 . . . . 0.0 111.147 169.475 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 1.6 t -100.18 -21.88 15.37 Favored 'General case' 0 N--CA 1.471 0.595 0 N-CA-C 115.307 1.595 . . . . 0.0 115.307 -167.549 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 18.6 t -79.65 -29.86 41.09 Favored 'General case' 0 N--CA 1.477 0.908 0 O-C-N 120.954 -1.091 . . . . 0.0 112.735 169.891 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 5.8 t -82.41 -33.19 28.75 Favored 'General case' 0 N--CA 1.475 0.79 0 C-N-CA 124.745 1.218 . . . . 0.0 112.823 176.912 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 4.9 t -153.17 -171.71 4.01 Favored 'General case' 0 CA--C 1.543 0.709 0 C-N-CA 124.364 1.066 . . . . 0.0 112.651 -174.94 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 31.4 mm -63.39 138.63 22.63 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.572 0 O-C-N 120.87 -1.144 . . . . 0.0 110.528 173.464 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 14.5 p -126.83 150.69 49.06 Favored 'General case' 0 N--CA 1.469 0.515 0 CA-C-O 121.984 0.897 . . . . 0.0 112.796 155.976 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 20.1 m -107.74 152.97 23.64 Favored 'General case' 0 N--CA 1.469 0.504 0 C-N-CA 125.222 1.409 . . . . 0.0 111.576 176.718 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 1.8 pt? -57.78 -40.88 80.89 Favored 'General case' 0 N--CA 1.463 0.224 0 O-C-N 121.433 -0.792 . . . . 0.0 111.875 -172.331 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 22.3 p90 -67.42 -13.31 61.91 Favored 'General case' 0 CA--C 1.537 0.459 0 C-N-CA 125.112 1.365 . . . . 0.0 114.569 -174.992 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 3.9 pt20 -117.43 -24.82 7.21 Favored 'General case' 0 CA--C 1.535 0.385 0 C-N-CA 124.357 1.063 . . . . 0.0 111.06 179.734 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -76.05 -28.66 57.73 Favored 'General case' 0 CA--C 1.549 0.931 0 CA-C-N 118.946 0.793 . . . . 0.0 111.459 173.935 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 31.6 mt-10 -50.7 -32.26 18.92 Favored 'General case' 0 N--CA 1.481 1.11 0 C-N-CA 125.044 1.338 . . . . 0.0 112.013 167.072 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 1.2 t-20 -62.82 -23.97 67.53 Favored 'General case' 0 CA--C 1.542 0.657 0 C-N-CA 124.176 0.99 . . . . 0.0 112.967 -176.748 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 79.2 m-85 -84.29 -1.14 54.81 Favored 'General case' 0 CA--C 1.547 0.856 0 C-N-CA 125.907 1.683 . . . . 0.0 113.013 177.614 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 11.7 t -72.2 -23.24 61.23 Favored 'General case' 0 CA--C 1.546 0.81 0 C-N-CA 125.095 1.358 . . . . 0.0 112.923 168.54 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 35.2 m120 . . . . . 0 C--O 1.253 1.259 0 C-N-CA 125.669 1.588 . . . . 0.0 113.535 178.395 . . . . . . . . 0 0 . 1 . 021 nuclear orig full ' B' B ' 1' ' ' PHE . . . . . . . . . . . . . 41.4 t80 . . . . . 0 N--CA 1.487 1.386 0 CA-C-O 119.734 -0.174 . . . . 0.0 110.639 . . . . . . . . . 0 0 . 1 . 021 nuclear orig full ' B' B ' 2' ' ' VAL . . . . . . . . . . . . . 84.3 t -130.31 123.38 55.53 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.997 0 C-N-CA 124.843 1.257 . . . . 0.0 108.456 171.127 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' 3' ' ' ASN . . . . . . . . . . . . . 60.3 m-20 -68.14 118.21 10.98 Favored 'General case' 0 CA--C 1.536 0.408 0 C-N-CA 123.639 0.775 . . . . 0.0 109.506 177.038 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' 4' ' ' GLN . . . . . . . . . . . . . 11.7 pt20 -159.17 179.5 8.96 Favored 'General case' 0 CA--C 1.535 0.39 0 CA-C-O 121.243 0.544 . . . . 0.0 112.104 -165.848 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' 5' ' ' HIS . . . . . . . . . . . . . 68.4 m-70 -81.52 128.58 34.05 Favored 'General case' 0 CA--C 1.547 0.835 0 C-N-CA 124.459 1.104 . . . . 0.0 110.109 168.574 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 89.9 mt -135.21 137.93 43.12 Favored 'General case' 0 N--CA 1.471 0.615 0 C-N-CA 125.063 1.345 . . . . 0.0 110.701 -176.841 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' 7' ' ' CYS . . . . . . . . . . . . . 2.5 t -155.68 148.05 23.76 Favored 'General case' 0 N--CA 1.469 0.51 0 O-C-N 121.558 -0.714 . . . . 0.0 111.834 179.142 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' 8' ' ' GLY . . . . . . . . . . . . . . . 60.22 -129.59 47.84 Favored Glycine 0 CA--C 1.529 0.909 0 C-N-CA 123.859 0.742 . . . . 0.0 112.133 -179.181 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' 9' ' ' SER . . . . . . . . . . . . . 20.3 m -53.81 -38.14 64.26 Favored 'General case' 0 N--CA 1.47 0.563 0 C-N-CA 124.575 1.15 . . . . 0.0 112.792 179.082 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' 10' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -63.24 -38.97 93.24 Favored 'General case' 0 CA--C 1.542 0.638 0 O-C-N 121.24 -0.913 . . . . 0.0 112.568 177.342 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 14.8 tp -72.18 -43.11 65.03 Favored 'General case' 0 CA--C 1.535 0.369 0 C-N-CA 124.276 1.03 . . . . 0.0 110.823 177.332 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 73.4 t -60.43 -42.76 92.26 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.988 0 C-N-CA 123.798 0.839 . . . . 0.0 111.292 174.219 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 16.8 mt-10 -60.46 -43.25 97.07 Favored 'General case' 0 N--CA 1.469 0.501 0 C-N-CA 123.984 0.914 . . . . 0.0 112.455 173.938 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -62.5 -50.85 69.77 Favored 'General case' 0 CA--C 1.536 0.413 0 CA-C-N 118.702 0.683 . . . . 0.0 111.14 174.863 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 4.1 mm? -57.23 -34.79 68.93 Favored 'General case' 0 N--CA 1.47 0.558 0 CA-C-N 119.088 0.858 . . . . 0.0 112.182 176.902 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' 16' ' ' TYR . . . . . . . . . . . . . 57.8 t80 -59.46 -40.36 86.62 Favored 'General case' 0 CA--C 1.54 0.567 0 CA-C-N 120.901 1.682 . . . . 0.0 112.532 171.432 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 87.0 mt -77.52 -37.43 50.98 Favored 'General case' 0 CA--C 1.539 0.54 0 N-CA-C 113.471 0.915 . . . . 0.0 113.471 -178.523 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' 18' ' ' VAL . . . . . . . . . . . . . 0.1 OUTLIER -94.13 -27.76 4.34 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.557 0 N-CA-C 114.783 1.401 . . . . 0.0 114.783 -178.84 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' B' B ' 19' ' ' CYS . . . . . . . . . . . . . 52.5 t -114.94 -41.5 3.34 Favored 'General case' 0 N--CA 1.475 0.802 0 C-N-CA 124.442 1.097 . . . . 0.0 112.826 -177.575 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . -72.94 -46.27 29.64 Favored Glycine 0 N--CA 1.474 1.2 0 C-N-CA 123.703 0.668 . . . . 0.0 112.739 -174.452 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 16.0 tm-20 -55.21 -28.46 53.23 Favored 'General case' 0 CA--C 1.544 0.733 0 C-N-CA 126.048 1.739 . . . . 0.0 112.898 178.432 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' 22' ' ' ARG . . . . . . . . . . . . . 76.1 mmt-85 -67.42 -6.39 18.98 Favored 'General case' 0 CA--C 1.547 0.854 0 C-N-CA 125.372 1.469 . . . . 0.0 113.927 176.788 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . 109.85 31.19 3.22 Favored Glycine 0 N--CA 1.473 1.13 0 C-N-CA 126.438 1.971 . . . . 0.0 114.435 179.687 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' 24' ' ' HIS . . . . . . . . . . . . . 95.1 m-70 50.34 -127.56 2.27 Favored 'General case' 0 CA--C 1.555 1.135 0 C-N-CA 126.456 1.903 . . . . 0.0 114.097 172.949 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' 25' ' ' PHE . . . . . . . . . . . . . 26.0 t80 57.52 47.8 15.54 Favored 'General case' 0 N--CA 1.471 0.615 0 C-N-CA 126.518 1.927 . . . . 0.0 112.591 -177.977 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' 26' ' ' TYR . . . . . . . . . . . . . 53.7 t80 -78.68 149.07 32.89 Favored 'General case' 0 CA--C 1.54 0.588 0 C-N-CA 124.205 1.002 . . . . 0.0 112.173 177.266 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' 27' ' ' THR . . . . . . . . . . . . . 21.9 p -109.59 104.73 56.02 Favored Pre-proline 0 N--CA 1.474 0.75 0 C-N-CA 125.338 1.455 . . . . 0.0 109.658 177.168 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' 28' ' ' PRO . . . . . . . . . . . . . 98.1 Cg_endo -73.61 155.2 49.88 Favored 'Trans proline' 0 C--N 1.35 0.636 0 C-N-CA 123.167 2.578 . . . . 0.0 111.273 -178.518 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 30.7 mtmm -137.11 150.26 47.88 Favored 'General case' 0 CA--C 1.544 0.737 0 C-N-CA 125.159 1.384 . . . . 0.0 111.922 -170.236 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' 30' ' ' THR . . . . . . . . . . . . . 18.2 p . . . . . 0 C--O 1.252 1.224 0 C-N-CA 125.669 1.588 . . . . 0.0 113.763 178.493 . . . . . . . . 0 0 . 1 . 022 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.669 0 N-CA-C 112.422 -0.271 . . . . 0.0 112.422 . . . . . . . . . 0 0 . 1 . 022 nuclear orig full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 6.3 tp -58.19 -35.55 53.58 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.231 0 C-N-CA 125.535 1.534 . . . . 0.0 113.98 -172.149 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 95.9 t -62.4 -33.5 59.51 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.972 0 C-N-CA 123.665 0.786 . . . . 0.0 111.198 176.961 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 44.0 mt-10 -77.12 -9.2 58.59 Favored 'General case' 0 CA--C 1.543 0.707 0 C-N-CA 124.029 0.932 . . . . 0.0 112.734 177.595 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 8.2 tp-100 -95.59 -47.71 6.11 Favored 'General case' 0 CA--C 1.538 0.481 0 C-N-CA 124.695 1.198 . . . . 0.0 110.527 172.815 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 63.0 m -103.11 -29.51 11.29 Favored 'General case' 0 N--CA 1.47 0.545 0 N-CA-C 116.158 1.91 . . . . 0.0 116.158 -166.947 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 16.6 t -79.42 -26.84 41.78 Favored 'General case' 0 N--CA 1.478 0.972 0 CA-C-N 119.282 0.946 . . . . 0.0 113.153 178.113 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 5.9 t -75.6 -34.77 60.63 Favored 'General case' 0 N--CA 1.476 0.827 0 C-N-CA 125.01 1.324 . . . . 0.0 113.103 -179.623 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 9' ' ' SER . . . . . 0.413 ' HA ' ' CE1' ' B' ' 5' ' ' HIS . 5.0 t -165.26 -172.38 2.49 Favored 'General case' 0 CA--C 1.543 0.684 0 C-N-CA 124.785 1.234 . . . . 0.0 112.072 -170.69 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 33.6 mm -58.29 128.98 19.74 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.623 0 C-N-CA 124.3 1.04 . . . . 0.0 110.531 172.674 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 15.6 p -125.64 150.03 47.93 Favored 'General case' 0 N--CA 1.469 0.494 0 C-N-CA 123.347 0.659 . . . . 0.0 112.096 165.036 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 50.9 m -106.54 153.33 22.48 Favored 'General case' 0 N--CA 1.471 0.587 0 C-N-CA 125.025 1.33 . . . . 0.0 112.449 -179.219 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 1.9 pt? -58.12 -40.19 80.6 Favored 'General case' 0 CA--C 1.53 0.2 0 C-N-CA 124.023 0.929 . . . . 0.0 112.106 -175.696 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 18.0 p90 -68.51 -13.33 62.25 Favored 'General case' 0 CA--C 1.536 0.433 0 C-N-CA 124.8 1.24 . . . . 0.0 114.329 -175.35 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 3.4 pt20 -114.62 -22.57 9.69 Favored 'General case' 0 C--O 1.223 -0.295 0 C-N-CA 124.043 0.937 . . . . 0.0 111.555 177.867 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -80.83 -25.77 37.54 Favored 'General case' 0 CA--C 1.548 0.87 0 CA-C-N 119.279 0.945 . . . . 0.0 111.805 175.96 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 20.1 mt-10 -54.05 -27.7 34.01 Favored 'General case' 0 N--CA 1.48 1.031 0 C-N-CA 124.144 0.977 . . . . 0.0 112.352 166.903 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 83.3 m-20 -64.12 -17.01 63.04 Favored 'General case' 0 CA--C 1.541 0.601 0 C-N-CA 123.912 0.885 . . . . 0.0 113.132 -176.202 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 77.7 m-85 -96.68 1.03 50.62 Favored 'General case' 0 CA--C 1.549 0.926 0 C-N-CA 126.87 2.068 . . . . 0.0 112.993 179.05 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 47.7 t -71.2 -30.11 65.99 Favored 'General case' 0 N--CA 1.474 0.725 0 C-N-CA 125.521 1.528 . . . . 0.0 113.473 176.577 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--O 1.253 1.267 0 C-N-CA 125.958 1.703 . . . . 0.0 113.239 179.154 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' B' B ' 1' ' ' PHE . . . . . . . . . . . . . 21.8 t80 . . . . . 0 N--CA 1.487 1.409 0 CA-C-O 119.625 -0.226 . . . . 0.0 110.504 . . . . . . . . . 0 0 . 1 . 022 nuclear orig full ' B' B ' 2' ' ' VAL . . . . . . . . . . . . . 17.8 m -134.79 139.23 47.93 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.054 0 C-N-CA 124.55 1.14 . . . . 0.0 109.988 166.189 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' B' B ' 3' ' ' ASN . . . . . . . . . . . . . 5.2 p30 -61.62 129.83 42.99 Favored 'General case' 0 CA--C 1.535 0.375 0 CA-C-O 120.707 0.289 . . . . 0.0 110.236 166.021 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' B' B ' 4' ' ' GLN . . . . . . . . . . . . . 20.4 pt20 -163.11 174.97 11.53 Favored 'General case' 0 CA--C 1.532 0.27 0 CA-C-O 121.531 0.682 . . . . 0.0 111.144 -169.464 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' B' B ' 5' ' ' HIS . . . . . 0.413 ' CE1' ' HA ' ' A' ' 9' ' ' SER . 78.3 m-70 -77.56 127.41 32.45 Favored 'General case' 0 CA--C 1.543 0.69 0 C-N-CA 124.063 0.945 . . . . 0.0 110.046 169.07 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 89.8 mt -135.19 129.3 33.53 Favored 'General case' 0 N--CA 1.471 0.597 0 C-N-CA 124.181 0.992 . . . . 0.0 111.037 -176.766 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' B' B ' 7' ' ' CYS . . . . . . . . . . . . . 2.1 t -155.23 146.38 22.7 Favored 'General case' 0 N--CA 1.469 0.481 0 C-N-CA 123.472 0.709 . . . . 0.0 111.313 178.811 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' B' B ' 8' ' ' GLY . . . . . . . . . . . . . . . 60.52 -128.08 44.77 Favored Glycine 0 CA--C 1.53 0.998 0 C-N-CA 123.783 0.706 . . . . 0.0 112.423 -178.753 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' B' B ' 9' ' ' SER . . . . . . . . . . . . . 8.6 t -55.5 -38.83 69.69 Favored 'General case' 0 N--CA 1.472 0.663 0 C-N-CA 123.9 0.88 . . . . 0.0 112.55 179.548 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' B' B ' 10' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -61.6 -39.77 92.42 Favored 'General case' 0 N--CA 1.473 0.702 0 O-C-N 120.959 -1.088 . . . . 0.0 112.461 176.411 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 17.8 tp -69.52 -44.73 70.42 Favored 'General case' 0 CA--C 1.533 0.316 0 C-N-CA 124.03 0.932 . . . . 0.0 110.777 177.684 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 82.2 t -59.78 -42.72 89.79 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.002 0 C-N-CA 123.662 0.785 . . . . 0.0 111.213 174.738 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 19.3 mt-10 -60.46 -45.94 91.89 Favored 'General case' 0 N--CA 1.468 0.428 0 C-N-CA 123.689 0.796 . . . . 0.0 112.379 173.747 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -62.62 -47.52 83.39 Favored 'General case' 0 CA--C 1.533 0.294 0 CA-C-N 119.184 0.902 . . . . 0.0 111.527 177.153 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -58.97 -35.17 72.73 Favored 'General case' 0 N--CA 1.466 0.357 0 CA-C-O 118.43 -0.795 . . . . 0.0 111.627 176.668 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' B' B ' 16' ' ' TYR . . . . . . . . . . . . . 87.4 t80 -60.44 -41.65 94.48 Favored 'General case' 0 CA--C 1.538 0.488 0 CA-C-N 121.047 1.749 . . . . 0.0 112.394 170.887 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 94.6 mt -70.44 -47.08 62.41 Favored 'General case' 0 CA--C 1.54 0.583 0 CA-C-O 118.882 -0.58 . . . . 0.0 112.426 -179.7 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' B' B ' 18' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -84.94 -35.59 10.21 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.509 0 N-CA-C 113.905 1.076 . . . . 0.0 113.905 -176.85 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' B' B ' 19' ' ' CYS . . . . . . . . . . . . . 52.2 t -108.08 -42.5 4.64 Favored 'General case' 0 N--CA 1.471 0.595 0 C-N-CA 124.491 1.116 . . . . 0.0 112.625 -175.182 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . -69.31 -41.21 79.54 Favored Glycine 0 N--CA 1.47 0.953 0 C-N-CA 123.894 0.759 . . . . 0.0 112.705 -175.339 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 34.0 tt0 -61.07 -35.1 76.06 Favored 'General case' 0 CA--C 1.546 0.817 0 C-N-CA 123.86 0.864 . . . . 0.0 112.287 178.266 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' B' B ' 22' ' ' ARG . . . . . . . . . . . . . 17.4 ptm180 -88.53 3.22 51.06 Favored 'General case' 0 CA--C 1.548 0.872 0 C-N-CA 125.097 1.359 . . . . 0.0 114.36 175.253 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . 161.88 105.6 0.2 Allowed Glycine 0 N--CA 1.47 0.933 0 C-N-CA 125.903 1.716 . . . . 0.0 111.742 178.514 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' B' B ' 24' ' ' HIS . . . . . . . . . . . . . 93.3 m-70 -70.79 -21.09 62.52 Favored 'General case' 0 CA--C 1.547 0.831 0 N-CA-C 114.938 1.458 . . . . 0.0 114.938 -167.375 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' B' B ' 25' ' ' PHE . . . . . . . . . . . . . 89.7 t80 -77.73 126.2 30.5 Favored 'General case' 0 CA--C 1.54 0.559 0 C-N-CA 123.508 0.723 . . . . 0.0 110.724 171.721 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' B' B ' 26' ' ' TYR . . . . . . . . . . . . . 55.5 t80 -146.96 150.51 35.3 Favored 'General case' 0 CA--C 1.541 0.605 0 C-N-CA 125.377 1.471 . . . . 0.0 111.611 179.029 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' B' B ' 27' ' ' THR . . . . . . . . . . . . . 20.4 p -122.28 97.09 45.61 Favored Pre-proline 0 N--CA 1.473 0.708 0 C-N-CA 125.822 1.649 . . . . 0.0 110.258 -177.698 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' B' B ' 28' ' ' PRO . . . . . . . . . . . . . 91.1 Cg_endo -75.67 169.69 21.77 Favored 'Trans proline' 0 CA--C 1.539 0.765 0 C-N-CA 123.453 2.769 . . . . 0.0 111.25 174.47 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 65.1 mttm 57.87 -149.38 0.46 Allowed 'General case' 0 CA--C 1.554 1.102 0 C-N-CA 125.709 1.604 . . . . 0.0 113.003 177.58 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' B' B ' 30' ' ' THR . . . . . . . . . . . . . 13.5 t . . . . . 0 C--O 1.254 1.339 0 C-N-CA 127.175 2.19 . . . . 0.0 111.594 -177.053 . . . . . . . . 0 0 . 1 . 023 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.685 0 N-CA-C 112.337 -0.305 . . . . 0.0 112.337 . . . . . . . . . 0 0 . 1 . 023 nuclear orig full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 7.0 tp -56.02 -38.71 54.26 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.264 0 C-N-CA 125.836 1.655 . . . . 0.0 113.718 -171.427 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 88.3 t -61.59 -33.17 56.05 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.882 0 C-N-CA 124.164 0.985 . . . . 0.0 111.261 179.03 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 43.8 mt-10 -76.79 -7.31 55.17 Favored 'General case' 0 CA--C 1.542 0.664 0 C-N-CA 124.078 0.951 . . . . 0.0 112.916 179.304 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 10.6 tp60 -105.51 -44.77 4.61 Favored 'General case' 0 CA--C 1.538 0.504 0 C-N-CA 124.307 1.043 . . . . 0.0 111.385 172.372 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 60.0 m -93.16 -34.08 13.76 Favored 'General case' 0 N--CA 1.472 0.653 0 N-CA-C 115.632 1.716 . . . . 0.0 115.632 -172.694 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 10.9 t -78.63 -24.47 45.26 Favored 'General case' 0 N--CA 1.477 0.882 0 N-CA-C 113.349 0.87 . . . . 0.0 113.349 -179.706 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 5.5 t -81.39 -33.88 31.99 Favored 'General case' 0 N--CA 1.475 0.817 0 C-N-CA 124.916 1.286 . . . . 0.0 113.29 179.673 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 9' ' ' SER . . . . . 0.403 ' HA ' ' CE1' ' B' ' 5' ' ' HIS . 5.5 t -163.62 -173.13 3.16 Favored 'General case' 0 CA--C 1.543 0.696 0 C-N-CA 124.513 1.125 . . . . 0.0 112.243 -169.823 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 34.3 mm -60.15 126.41 17.9 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.647 0 O-C-N 121.326 -0.858 . . . . 0.0 109.662 171.481 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 23.2 p -116.81 152.35 34.59 Favored 'General case' 0 N--CA 1.467 0.397 0 CA-C-O 121.521 0.677 . . . . 0.0 112.082 166.793 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 15.5 m -106.75 148.23 28.69 Favored 'General case' 0 N--CA 1.467 0.403 0 C-N-CA 123.773 0.829 . . . . 0.0 112.336 -174.286 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 1.9 pt? -56.51 -40.47 75.05 Favored 'General case' 0 N--CA 1.466 0.37 0 O-C-N 121.537 -0.727 . . . . 0.0 111.838 -175.732 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 15.5 p90 -67.42 -13.61 62.18 Favored 'General case' 0 CA--C 1.535 0.401 0 N-CA-C 114.709 1.374 . . . . 0.0 114.709 -175.662 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 3.0 pt20 -112.5 -32.22 6.54 Favored 'General case' 0 N--CA 1.464 0.256 0 C-N-CA 123.42 0.688 . . . . 0.0 110.501 177.05 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -71.27 -31.6 67.69 Favored 'General case' 0 CA--C 1.547 0.857 0 CA-C-N 118.987 0.812 . . . . 0.0 111.456 -177.849 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 29.2 mt-10 -50.74 -40.4 54.54 Favored 'General case' 0 N--CA 1.478 0.966 0 C-N-CA 124.961 1.304 . . . . 0.0 111.48 168.95 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 1.7 t-20 -59.71 -28.86 67.69 Favored 'General case' 0 CA--C 1.541 0.618 0 C-N-CA 124.551 1.14 . . . . 0.0 113.429 -171.098 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 88.3 m-85 -79.19 -9.7 59.63 Favored 'General case' 0 CA--C 1.544 0.716 0 C-N-CA 125.211 1.404 . . . . 0.0 113.627 179.425 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 12.9 t -70.21 -24.83 63.18 Favored 'General case' 0 CA--C 1.545 0.775 0 C-N-CA 123.872 0.869 . . . . 0.0 113.087 176.63 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 C--O 1.253 1.278 0 C-N-CA 126.17 1.788 . . . . 0.0 111.927 177.266 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' B' B ' 1' ' ' PHE . . . . . . . . . . . . . 51.0 t80 . . . . . 0 N--CA 1.485 1.312 0 CA-C-O 120.617 0.246 . . . . 0.0 110.792 . . . . . . . . . 0 0 . 1 . 023 nuclear orig full ' B' B ' 2' ' ' VAL . . . . . . . . . . . . . 9.7 p -149.17 131.98 6.79 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.768 0 C-N-CA 125.28 1.432 . . . . 0.0 108.673 166.229 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' B' B ' 3' ' ' ASN . . . . . . . . . . . . . 72.1 m-20 -60.76 121.24 11.78 Favored 'General case' 0 CA--C 1.533 0.314 0 N-CA-C 109.66 -0.496 . . . . 0.0 109.66 173.814 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' B' B ' 4' ' ' GLN . . . . . . . . . . . . . 18.3 pt20 -156.24 177.21 11.7 Favored 'General case' 0 CA--C 1.532 0.275 0 CA-C-O 121.675 0.75 . . . . 0.0 111.527 -168.528 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' B' B ' 5' ' ' HIS . . . . . 0.403 ' CE1' ' HA ' ' A' ' 9' ' ' SER . 78.0 m-70 -79.04 125.92 30.03 Favored 'General case' 0 CA--C 1.544 0.738 0 C-N-CA 124.289 1.036 . . . . 0.0 109.981 170.667 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 88.5 mt -136.7 133.41 36.1 Favored 'General case' 0 N--CA 1.472 0.666 0 C-N-CA 124.233 1.013 . . . . 0.0 111.214 -175.481 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' B' B ' 7' ' ' CYS . . . . . . . . . . . . . 2.3 t -157.9 145.83 18.68 Favored 'General case' 0 CA--C 1.535 0.389 0 C-N-CA 123.766 0.826 . . . . 0.0 111.133 179.718 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' B' B ' 8' ' ' GLY . . . . . . . . . . . . . . . 61.38 -125.9 38.62 Favored Glycine 0 N--CA 1.47 0.923 0 C-N-CA 123.779 0.704 . . . . 0.0 112.958 179.813 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' B' B ' 9' ' ' SER . . . . . . . . . . . . . 5.8 p -50.36 -44.31 54.56 Favored 'General case' 0 N--CA 1.471 0.593 0 C-N-CA 125.144 1.378 . . . . 0.0 112.794 175.569 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' B' B ' 10' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -63.74 -35.55 80.94 Favored 'General case' 0 N--CA 1.47 0.551 0 O-C-N 121.366 -0.834 . . . . 0.0 112.606 179.083 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 14.7 tp -71.65 -45.02 63.27 Favored 'General case' 0 CA--C 1.536 0.419 0 C-N-CA 123.989 0.916 . . . . 0.0 110.875 177.976 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 81.5 t -59.97 -43.71 93.0 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.012 0 C-N-CA 123.859 0.864 . . . . 0.0 111.113 173.717 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 24.2 mt-10 -59.64 -45.96 90.43 Favored 'General case' 0 N--CA 1.465 0.306 0 C-N-CA 123.995 0.918 . . . . 0.0 112.225 174.194 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -61.86 -49.6 75.6 Favored 'General case' 0 N--CA 1.454 -0.243 0 CA-C-N 119.149 0.886 . . . . 0.0 111.516 177.97 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 3.8 mm? -54.61 -38.56 66.94 Favored 'General case' 0 N--CA 1.47 0.572 0 CA-C-N 119.008 0.822 . . . . 0.0 111.839 177.229 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' B' B ' 16' ' ' TYR . . . . . . . . . . . . . 71.9 t80 -61.24 -45.63 93.73 Favored 'General case' 0 CA--C 1.537 0.443 0 CA-C-N 118.931 0.787 . . . . 0.0 112.299 171.71 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 95.6 mt -67.43 -47.39 70.34 Favored 'General case' 0 CA--C 1.539 0.521 0 CA-C-N 119.096 0.862 . . . . 0.0 112.847 -179.653 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' B' B ' 18' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -78.79 -33.25 16.31 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.345 0 CA-C-N 118.735 0.698 . . . . 0.0 112.706 -175.726 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' B' B ' 19' ' ' CYS . . . . . . . . . . . . . 28.9 t -115.47 -45.89 2.9 Favored 'General case' 0 CA--C 1.541 0.6 0 N-CA-C 114.25 1.204 . . . . 0.0 114.25 -174.146 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . -79.18 -47.41 7.55 Favored Glycine 0 N--CA 1.477 1.409 0 C-N-CA 123.596 0.617 . . . . 0.0 114.389 -164.724 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 32.1 tt0 -63.18 -31.89 73.15 Favored 'General case' 0 CA--C 1.539 0.547 0 C-N-CA 125.757 1.623 . . . . 0.0 112.151 -179.115 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' B' B ' 22' ' ' ARG . . . . . . . . . . . . . 3.0 mmp_? -54.43 -22.13 11.72 Favored 'General case' 0 CA--C 1.543 0.704 0 C-N-CA 126.182 1.793 . . . . 0.0 113.766 -176.031 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . -70.98 -25.27 76.09 Favored Glycine 0 CA--C 1.529 0.936 0 C-N-CA 125.475 1.512 . . . . 0.0 114.569 177.662 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' B' B ' 24' ' ' HIS . . . . . . . . . . . . . 22.5 p80 -122.51 -21.46 5.72 Favored 'General case' 0 CA--C 1.549 0.921 0 N-CA-C 115.118 1.525 . . . . 0.0 115.118 177.321 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' B' B ' 25' ' ' PHE . . . . . . . . . . . . . 74.9 t80 -153.93 123.26 6.55 Favored 'General case' 0 CA--C 1.537 0.459 0 C-N-CA 124.457 1.103 . . . . 0.0 111.989 -179.286 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' B' B ' 26' ' ' TYR . . . . . . . . . . . . . 40.8 t80 -102.65 151.13 22.72 Favored 'General case' 0 CA--C 1.54 0.585 0 C-N-CA 124.824 1.249 . . . . 0.0 112.59 177.377 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' B' B ' 27' ' ' THR . . . . . . . . . . . . . 34.0 p -135.33 126.95 17.63 Favored Pre-proline 0 N--CA 1.473 0.69 0 C-N-CA 125.939 1.696 . . . . 0.0 109.053 168.145 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' B' B ' 28' ' ' PRO . . . . . . . . . . . . . 61.5 Cg_endo -82.45 154.05 15.99 Favored 'Trans proline' 0 CA--C 1.537 0.655 0 C-N-CA 123.125 2.55 . . . . 0.0 111.005 178.71 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 29.6 ttpt 69.33 166.58 0.27 Allowed 'General case' 0 CA--C 1.555 1.151 0 C-N-CA 126.593 1.957 . . . . 0.0 113.459 179.595 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' B' B ' 30' ' ' THR . . . . . . . . . . . . . 10.6 m . . . . . 0 C--O 1.253 1.26 0 C-N-CA 125.695 1.598 . . . . 0.0 112.143 175.736 . . . . . . . . 0 0 . 1 . 024 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.487 2.089 0 CA-C-O 121.836 0.686 . . . . 0.0 112.922 . . . . . . . . . 0 0 . 1 . 024 nuclear orig full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 7.5 tp -73.83 -40.64 53.54 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.229 0 C-N-CA 131.559 3.944 . . . . 0.0 113.406 -9.301 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 76.9 t -61.01 -43.81 96.91 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.175 0 C-N-CA 123.902 0.881 . . . . 0.0 111.094 -173.254 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 23.7 pt-20 -70.93 -5.99 35.04 Favored 'General case' 0 CA--C 1.547 0.864 0 N-CA-C 114.264 1.209 . . . . 0.0 114.264 176.595 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 36.3 tp60 -92.93 -52.69 4.48 Favored 'General case' 0 CA--C 1.54 0.558 0 CA-C-N 120.08 1.309 . . . . 0.0 110.892 165.075 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 65.4 m -90.51 -32.41 16.35 Favored 'General case' 0 N--CA 1.474 0.73 0 N-CA-C 116.144 1.905 . . . . 0.0 116.144 -167.683 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 18.3 t -75.7 -24.82 56.26 Favored 'General case' 0 N--CA 1.477 0.885 0 O-C-N 121.163 -0.961 . . . . 0.0 113.446 -178.088 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 6.5 t -95.19 -31.99 13.25 Favored 'General case' 0 N--CA 1.475 0.796 0 C-N-CA 125.388 1.475 . . . . 0.0 113.467 -177.006 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 59.2 m -146.99 171.43 15.26 Favored 'General case' 0 CA--C 1.543 0.708 0 C-N-CA 125.078 1.351 . . . . 0.0 112.189 -171.835 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 27.5 mm -56.97 125.43 12.91 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.819 0 O-C-N 121.215 -0.928 . . . . 0.0 109.177 167.899 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 18.1 p -117.02 150.42 38.64 Favored 'General case' 0 CA--C 1.534 0.342 0 CA-C-O 121.574 0.702 . . . . 0.0 111.822 168.147 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 13.5 m -107.09 152.48 23.97 Favored 'General case' 0 N--CA 1.469 0.514 0 C-N-CA 123.788 0.835 . . . . 0.0 112.68 -172.31 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 1.6 pt? -57.28 -40.01 76.87 Favored 'General case' 0 N--CA 1.467 0.383 0 O-C-N 121.533 -0.729 . . . . 0.0 111.885 -174.305 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 21.1 p90 -69.71 -10.28 57.69 Favored 'General case' 0 CA--C 1.537 0.48 0 C-N-CA 125.054 1.342 . . . . 0.0 114.589 -176.3 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 3.6 pt20 -118.9 -30.94 4.92 Favored 'General case' 0 C--O 1.222 -0.393 0 C-N-CA 123.786 0.834 . . . . 0.0 111.003 -179.784 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -70.68 -33.14 70.6 Favored 'General case' 0 CA--C 1.549 0.92 0 CA-C-N 119.324 0.965 . . . . 0.0 111.145 176.181 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 14.6 mt-10 -47.99 -35.99 11.91 Favored 'General case' 0 N--CA 1.479 0.996 0 C-N-CA 126.147 1.779 . . . . 0.0 112.811 170.141 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 81.0 m-20 -61.63 -18.44 59.46 Favored 'General case' 0 CA--C 1.539 0.547 0 C-N-CA 124.809 1.244 . . . . 0.0 113.519 -173.934 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 88.5 m-85 -99.49 1.93 44.45 Favored 'General case' 0 CA--C 1.546 0.809 0 C-N-CA 126.37 1.868 . . . . 0.0 113.679 -176.188 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 49.0 t -67.1 -33.67 75.98 Favored 'General case' 0 N--CA 1.474 0.729 0 N-CA-C 113.168 0.803 . . . . 0.0 113.168 176.113 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--O 1.253 1.268 0 C-N-CA 125.763 1.625 . . . . 0.0 113.037 176.754 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' B' B ' 1' ' ' PHE . . . . . . . . . . . . . 56.3 t80 . . . . . 0 N--CA 1.486 1.358 0 N-CA-C 110.77 -0.085 . . . . 0.0 110.77 . . . . . . . . . 0 0 . 1 . 024 nuclear orig full ' B' B ' 2' ' ' VAL . . . . . . . . . . . . . 11.5 p -143.98 131.96 18.14 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.805 0 C-N-CA 125.001 1.321 . . . . 0.0 109.112 166.938 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' B' B ' 3' ' ' ASN . . . . . . . . . . . . . 72.0 m-20 -61.07 121.77 13.3 Favored 'General case' 0 CA--C 1.533 0.324 0 N-CA-C 109.597 -0.52 . . . . 0.0 109.597 173.531 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' B' B ' 4' ' ' GLN . . . . . . . . . . . . . 21.0 pt20 -157.27 177.93 10.91 Favored 'General case' 0 CA--C 1.532 0.276 0 CA-C-O 121.638 0.732 . . . . 0.0 111.528 -169.177 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' B' B ' 5' ' ' HIS . . . . . . . . . . . . . 75.9 m-70 -81.63 129.53 34.73 Favored 'General case' 0 CA--C 1.544 0.72 0 C-N-CA 124.105 0.962 . . . . 0.0 110.087 169.865 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 74.8 mt -139.52 133.12 30.4 Favored 'General case' 0 N--CA 1.471 0.582 0 C-N-CA 124.532 1.133 . . . . 0.0 111.19 -172.76 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' B' B ' 7' ' ' CYS . . . . . . . . . . . . . 1.6 t -156.09 147.48 22.61 Favored 'General case' 0 N--CA 1.468 0.473 0 C-N-CA 123.589 0.756 . . . . 0.0 111.385 179.22 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' B' B ' 8' ' ' GLY . . . . . . . . . . . . . . . 59.9 -128.88 47.32 Favored Glycine 0 N--CA 1.471 1.027 0 C-N-CA 123.919 0.771 . . . . 0.0 112.548 -179.19 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' B' B ' 9' ' ' SER . . . . . . . . . . . . . 20.4 m -55.5 -36.04 66.23 Favored 'General case' 0 N--CA 1.471 0.619 0 C-N-CA 124.558 1.143 . . . . 0.0 113.014 178.946 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' B' B ' 10' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -64.11 -36.92 85.62 Favored 'General case' 0 CA--C 1.541 0.631 0 O-C-N 121.26 -0.9 . . . . 0.0 112.322 175.593 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 15.8 tp -73.17 -42.13 63.1 Favored 'General case' 0 CA--C 1.536 0.418 0 C-N-CA 124.434 1.094 . . . . 0.0 111.256 178.135 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 91.4 t -59.44 -43.11 89.74 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.044 0 C-N-CA 124.021 0.928 . . . . 0.0 111.138 171.636 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 15.7 mm-40 -60.63 -49.6 76.89 Favored 'General case' 0 C--O 1.223 -0.318 0 CA-C-O 118.536 -0.745 . . . . 0.0 111.582 171.69 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -54.54 -49.22 70.79 Favored 'General case' 0 CA--C 1.531 0.238 0 CA-C-N 120.189 1.359 . . . . 0.0 111.905 179.698 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 4.0 mm? -54.65 -38.65 67.15 Favored 'General case' 0 N--CA 1.471 0.608 0 CA-C-N 119.031 0.832 . . . . 0.0 112.201 174.802 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' B' B ' 16' ' ' TYR . . . . . . . . . . . . . 76.2 t80 -64.34 -41.93 96.53 Favored 'General case' 0 CA--C 1.543 0.68 0 O-C-N 121.306 -0.871 . . . . 0.0 112.586 171.218 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 90.9 mt -68.99 -46.48 67.95 Favored 'General case' 0 CA--C 1.537 0.48 0 O-C-N 121.278 -0.889 . . . . 0.0 112.8 -178.965 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' B' B ' 18' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -71.2 -48.96 51.69 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.117 0 CA-C-N 118.451 0.569 . . . . 0.0 111.699 177.273 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' B' B ' 19' ' ' CYS . . . . . . . . . . . . . 17.2 t -109.71 -42.64 4.22 Favored 'General case' 0 N--CA 1.47 0.542 0 N-CA-C 113.738 1.014 . . . . 0.0 113.738 -167.957 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . -70.19 -36.56 71.44 Favored Glycine 0 N--CA 1.477 1.371 0 CA-C-N 118.778 0.717 . . . . 0.0 113.821 -170.2 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 8.9 mm-40 -59.54 -20.11 53.2 Favored 'General case' 0 CA--C 1.543 0.681 0 C-N-CA 126.599 1.959 . . . . 0.0 113.938 175.98 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' B' B ' 22' ' ' ARG . . . . . . . . . . . . . 92.9 mtt180 -76.21 -15.39 60.05 Favored 'General case' 0 CA--C 1.543 0.69 0 C-N-CA 124.122 0.969 . . . . 0.0 113.346 178.249 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . 85.96 133.13 3.16 Favored Glycine 0 CA--C 1.53 1.023 0 C-N-CA 125.823 1.677 . . . . 0.0 113.039 176.924 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' B' B ' 24' ' ' HIS . . . . . . . . . . . . . 91.4 m-70 -133.94 -0.52 3.09 Favored 'General case' 0 CA--C 1.551 0.999 0 C-N-CA 124.978 1.311 . . . . 0.0 114.054 -175.791 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' B' B ' 25' ' ' PHE . . . . . . . . . . . . . 76.5 t80 -163.48 148.02 10.84 Favored 'General case' 0 CA--C 1.538 0.506 0 C-N-CA 126.204 1.801 . . . . 0.0 110.819 -176.74 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' B' B ' 26' ' ' TYR . . . . . . . . . . . . . 5.1 t80 -146.57 147.63 31.31 Favored 'General case' 0 CA--C 1.541 0.599 0 C-N-CA 125.396 1.478 . . . . 0.0 112.082 174.973 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' B' B ' 27' ' ' THR . . . . . 0.437 ' H ' ' CA ' ' B' ' 28' ' ' PRO . 4.9 t -157.52 -8.12 0.0 OUTLIER Pre-proline 0 CA--C 1.553 1.09 0 N-CA-C 118.012 2.597 . . . . 0.0 118.012 -179.956 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' B' B ' 28' ' ' PRO . . . . . 0.437 ' CA ' ' H ' ' B' ' 27' ' ' THR . 72.8 Cg_endo -71.14 160.03 92.74 Favored 'Cis proline' 0 C--N 1.361 1.2 0 CA-C-N 125.169 2.882 . . . . 0.0 113.186 -3.172 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 6.1 ttpp -77.32 21.72 0.24 Allowed 'General case' 0 CA--C 1.556 1.183 0 N-CA-C 114.564 1.32 . . . . 0.0 114.564 -177.825 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' B' B ' 30' ' ' THR . . . . . . . . . . . . . 27.1 m . . . . . 0 N--CA 1.488 1.466 0 C-N-CA 130.254 3.422 . . . . 0.0 111.024 -176.445 . . . . . . . . 0 0 . 1 . 025 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.479 1.541 0 CA-C-O 120.205 -0.219 . . . . 0.0 112.754 . . . . . . . . . 0 0 . 1 . 025 nuclear orig full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 8.6 tp -66.64 -34.35 69.49 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.209 0 N-CA-C 114.479 1.288 . . . . 0.0 114.479 -168.886 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 89.5 t -63.31 -40.9 90.78 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.004 0 CA-C-N 119.179 0.9 . . . . 0.0 109.892 -179.839 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 2.6 mp0 -71.69 1.86 6.15 Favored 'General case' 0 CA--C 1.547 0.832 0 C-N-CA 125.351 1.46 . . . . 0.0 113.686 175.587 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 16.6 tp60 -113.05 -51.85 2.81 Favored 'General case' 0 CA--C 1.538 0.511 0 C-N-CA 124.664 1.185 . . . . 0.0 111.49 169.528 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 1.6 t -100.26 -21.91 15.31 Favored 'General case' 0 N--CA 1.472 0.647 0 N-CA-C 115.221 1.563 . . . . 0.0 115.221 -168.188 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 21.5 t -78.19 -29.62 48.54 Favored 'General case' 0 N--CA 1.477 0.878 0 O-C-N 120.854 -1.153 . . . . 0.0 112.687 169.48 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 6.5 t -85.53 -32.12 22.35 Favored 'General case' 0 N--CA 1.476 0.829 0 C-N-CA 124.926 1.29 . . . . 0.0 113.022 177.628 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 5.5 t -150.61 -175.07 4.96 Favored 'General case' 0 CA--C 1.543 0.707 0 C-N-CA 124.154 0.981 . . . . 0.0 112.712 -175.93 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 29.6 mm -66.31 137.0 25.72 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.59 0 O-C-N 120.804 -1.185 . . . . 0.0 110.054 172.764 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 15.4 p -122.79 154.87 37.63 Favored 'General case' 0 N--CA 1.471 0.58 0 CA-C-O 121.875 0.845 . . . . 0.0 112.839 161.513 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 19.2 m -107.36 151.23 25.78 Favored 'General case' 0 N--CA 1.469 0.483 0 C-N-CA 125.054 1.342 . . . . 0.0 111.636 179.258 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 1.8 pt? -59.22 -39.0 81.33 Favored 'General case' 0 N--CA 1.465 0.31 0 O-C-N 121.28 -0.887 . . . . 0.0 112.138 -174.037 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 18.3 p90 -69.51 -13.21 62.22 Favored 'General case' 0 CA--C 1.535 0.382 0 C-N-CA 125.067 1.347 . . . . 0.0 114.093 -174.418 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 4.0 pt20 -113.21 -30.83 6.82 Favored 'General case' 0 C--O 1.222 -0.37 0 C-N-CA 124.144 0.978 . . . . 0.0 110.515 177.009 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -71.17 -26.84 63.15 Favored 'General case' 0 CA--C 1.546 0.826 0 CA-C-N 120.134 1.334 . . . . 0.0 112.173 -179.57 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 31.8 mt-10 -50.23 -36.21 30.06 Favored 'General case' 0 N--CA 1.479 1.021 0 C-N-CA 124.157 0.983 . . . . 0.0 111.984 169.494 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 62.2 m-20 -61.46 -24.54 66.63 Favored 'General case' 0 CA--C 1.54 0.59 0 C-N-CA 124.721 1.208 . . . . 0.0 112.908 -172.119 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 86.2 m-85 -88.46 -6.98 57.3 Favored 'General case' 0 CA--C 1.542 0.637 0 C-N-CA 126.304 1.841 . . . . 0.0 113.482 -176.737 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 19.0 t -68.42 -28.99 67.57 Favored 'General case' 0 CA--C 1.544 0.733 0 C-N-CA 123.715 0.806 . . . . 0.0 113.001 176.466 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--O 1.255 1.349 0 C-N-CA 127.308 2.243 . . . . 0.0 112.423 177.131 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' B' B ' 1' ' ' PHE . . . . . . . . . . . . . 69.3 t80 . . . . . 0 N--CA 1.487 1.379 0 N-CA-C 110.717 -0.105 . . . . 0.0 110.717 . . . . . . . . . 0 0 . 1 . 025 nuclear orig full ' B' B ' 2' ' ' VAL . . . . . . . . . . . . . 84.0 t -132.95 124.67 50.68 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.977 0 C-N-CA 125.129 1.371 . . . . 0.0 108.472 170.346 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' B' B ' 3' ' ' ASN . . . . . . . . . . . . . 9.0 m120 -62.3 111.81 2.15 Favored 'General case' 0 CA--C 1.537 0.449 0 C-N-CA 124.234 1.013 . . . . 0.0 109.974 173.901 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' B' B ' 4' ' ' GLN . . . . . . . . . . . . . 11.9 pt20 -156.98 175.94 13.43 Favored 'General case' 0 CA--C 1.535 0.368 0 C-N-CA 123.577 0.751 . . . . 0.0 111.268 -170.863 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' B' B ' 5' ' ' HIS . . . . . . . . . . . . . 67.2 m-70 -81.49 127.72 33.12 Favored 'General case' 0 CA--C 1.546 0.791 0 C-N-CA 124.446 1.098 . . . . 0.0 109.915 168.91 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 93.6 mt -132.12 136.31 47.04 Favored 'General case' 0 N--CA 1.47 0.55 0 C-N-CA 125.231 1.412 . . . . 0.0 110.639 -175.599 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' B' B ' 7' ' ' CYS . . . . . . . . . . . . . 2.0 t -154.83 147.34 24.12 Favored 'General case' 0 N--CA 1.469 0.498 0 O-C-N 121.601 -0.687 . . . . 0.0 111.792 -179.672 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' B' B ' 8' ' ' GLY . . . . . . . . . . . . . . . 59.38 -128.42 47.1 Favored Glycine 0 CA--C 1.53 0.981 0 C-N-CA 123.917 0.77 . . . . 0.0 112.259 -179.582 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' B' B ' 9' ' ' SER . . . . . . . . . . . . . 20.3 m -53.57 -39.36 64.73 Favored 'General case' 0 N--CA 1.47 0.557 0 C-N-CA 124.568 1.147 . . . . 0.0 112.682 178.589 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' B' B ' 10' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -62.83 -37.42 86.71 Favored 'General case' 0 CA--C 1.543 0.699 0 O-C-N 121.247 -0.908 . . . . 0.0 112.562 177.899 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 15.3 tp -73.58 -43.15 60.48 Favored 'General case' 0 CA--C 1.535 0.394 0 C-N-CA 124.411 1.085 . . . . 0.0 110.967 177.842 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 75.1 t -59.79 -43.6 92.11 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.987 0 C-N-CA 124.03 0.932 . . . . 0.0 111.267 173.291 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 23.4 mt-10 -59.05 -45.54 90.51 Favored 'General case' 0 N--CA 1.466 0.333 0 C-N-CA 124.19 0.996 . . . . 0.0 112.188 173.633 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -61.12 -49.16 78.41 Favored 'General case' 0 CA--C 1.534 0.33 0 CA-C-N 119.0 0.818 . . . . 0.0 111.532 176.971 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 3.9 mm? -55.49 -39.6 70.63 Favored 'General case' 0 N--CA 1.47 0.567 0 CA-C-N 118.7 0.682 . . . . 0.0 112.028 176.667 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' B' B ' 16' ' ' TYR . . . . . . . . . . . . . 84.1 t80 -60.25 -45.11 94.4 Favored 'General case' 0 N--CA 1.466 0.372 0 CA-C-N 119.073 0.851 . . . . 0.0 112.216 172.374 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 96.3 mt -65.09 -50.45 66.06 Favored 'General case' 0 CA--C 1.539 0.551 0 CA-C-N 118.725 0.693 . . . . 0.0 111.925 179.321 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' B' B ' 18' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -76.64 -37.94 29.98 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.287 0 CA-C-N 118.701 0.682 . . . . 0.0 112.455 -174.308 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' B' B ' 19' ' ' CYS . . . . . . . . . . . . . 28.6 t -104.34 -39.19 6.55 Favored 'General case' 0 CA--C 1.538 0.508 0 N-CA-C 113.64 0.978 . . . . 0.0 113.64 -172.361 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . -84.18 -54.36 3.04 Favored Glycine 0 N--CA 1.472 1.082 0 C-N-CA 124.317 0.96 . . . . 0.0 113.136 -173.735 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 37.2 tt0 -75.79 -48.48 21.49 Favored 'General case' 0 CA--C 1.539 0.525 0 C-N-CA 124.745 1.218 . . . . 0.0 111.291 -179.062 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' B' B ' 22' ' ' ARG . . . . . . . . . . . . . 28.9 ttt-85 38.24 59.25 1.45 Allowed 'General case' 0 CA--C 1.541 0.603 0 C-N-CA 127.409 2.284 . . . . 0.0 115.435 170.553 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . -62.73 155.42 41.48 Favored Glycine 0 CA--C 1.535 1.295 0 C-N-CA 124.93 1.253 . . . . 0.0 113.486 -179.43 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' B' B ' 24' ' ' HIS . . . . . . . . . . . . . 99.3 m-70 -63.95 145.04 56.57 Favored 'General case' 0 CA--C 1.546 0.822 0 N-CA-C 114.279 1.214 . . . . 0.0 114.279 -172.836 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' B' B ' 25' ' ' PHE . . . . . . . . . . . . . 73.9 t80 -163.1 155.51 18.46 Favored 'General case' 0 CA--C 1.542 0.656 0 C-N-CA 126.535 1.934 . . . . 0.0 110.633 -179.349 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' B' B ' 26' ' ' TYR . . . . . . . . . . . . . 59.2 t80 -67.31 150.4 49.06 Favored 'General case' 0 CA--C 1.544 0.722 0 N-CA-C 113.69 0.996 . . . . 0.0 113.69 -179.136 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' B' B ' 27' ' ' THR . . . . . . . . . . . . . 18.1 p -129.48 117.18 18.62 Favored Pre-proline 0 N--CA 1.473 0.677 0 C-N-CA 125.633 1.573 . . . . 0.0 109.557 174.313 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' B' B ' 28' ' ' PRO . . . . . . . . . . . . . 44.6 Cg_endo -80.82 63.46 8.78 Favored 'Trans proline' 0 CA--C 1.54 0.816 0 C-N-CA 124.41 3.407 . . . . 0.0 111.35 -179.683 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 61.1 tttt 70.1 23.73 5.21 Favored 'General case' 0 CA--C 1.552 1.053 0 C-N-CA 127.112 2.165 . . . . 0.0 113.114 179.065 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' B' B ' 30' ' ' THR . . . . . . . . . . . . . 7.5 m . . . . . 0 C--O 1.253 1.253 0 C-N-CA 127.294 2.237 . . . . 0.0 113.02 179.483 . . . . . . . . 0 0 . 1 . 026 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.482 1.732 0 N-CA-C 112.37 -0.292 . . . . 0.0 112.37 . . . . . . . . . 0 0 . 1 . 026 nuclear orig full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 7.7 tp -58.06 -32.51 44.11 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.322 0 C-N-CA 125.36 1.464 . . . . 0.0 114.156 -172.345 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 60.5 t -61.66 -35.1 65.24 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.989 0 C-N-CA 123.759 0.824 . . . . 0.0 110.985 176.688 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 41.9 mt-10 -77.05 -8.41 57.4 Favored 'General case' 0 CA--C 1.545 0.752 0 C-N-CA 124.345 1.058 . . . . 0.0 112.486 176.226 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 13.0 tp60 -99.35 -40.17 8.04 Favored 'General case' 0 CA--C 1.539 0.526 0 C-N-CA 124.527 1.131 . . . . 0.0 111.93 176.066 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -119.49 -17.35 8.75 Favored 'General case' 0 N--CA 1.481 1.075 0 N-CA-C 117.327 2.343 . . . . 0.0 117.327 -172.679 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 35.0 t -89.44 -32.03 17.43 Favored 'General case' 0 N--CA 1.478 0.973 0 N-CA-C 113.72 1.008 . . . . 0.0 113.72 177.441 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 6.5 t -69.0 -40.35 78.8 Favored 'General case' 0 N--CA 1.481 1.081 0 C-N-CA 124.186 0.994 . . . . 0.0 111.951 175.331 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 9' ' ' SER . . . . . 0.439 ' HA ' ' CE1' ' B' ' 5' ' ' HIS . 5.7 t -166.44 -174.6 2.91 Favored 'General case' 0 CA--C 1.534 0.354 0 C-N-CA 127.768 2.427 . . . . 0.0 109.789 173.44 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 16.9 mt -71.84 136.79 24.98 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.461 0 C-N-CA 124.381 1.072 . . . . 0.0 112.971 -163.137 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 13.9 p -115.46 163.28 15.97 Favored 'General case' 0 CA--C 1.539 0.535 0 C-N-CA 124.562 1.145 . . . . 0.0 113.036 169.11 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 63.9 m -108.19 157.47 18.29 Favored 'General case' 0 N--CA 1.47 0.561 0 C-N-CA 125.04 1.336 . . . . 0.0 112.676 173.742 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . 0.404 ' H ' HD23 ' A' ' 13' ' ' LEU . 1.5 pt? -58.56 -38.74 78.5 Favored 'General case' 0 N--CA 1.463 0.221 0 C-N-CA 123.83 0.852 . . . . 0.0 112.657 -173.084 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 25.0 p90 -70.5 -11.84 61.18 Favored 'General case' 0 CA--C 1.536 0.437 0 C-N-CA 125.308 1.443 . . . . 0.0 114.314 -174.207 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 3.9 pt20 -120.63 -24.46 5.76 Favored 'General case' 0 CA--C 1.534 0.359 0 C-N-CA 124.322 1.049 . . . . 0.0 111.727 -177.116 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -73.73 -34.18 64.66 Favored 'General case' 0 CA--C 1.542 0.646 0 C-N-CA 124.252 1.021 . . . . 0.0 111.094 174.15 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -73.15 -16.74 61.44 Favored 'General case' 0 N--CA 1.469 0.5 0 N-CA-C 113.704 1.001 . . . . 0.0 113.704 -177.897 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -57.76 -26.35 61.74 Favored 'General case' 0 CA--C 1.544 0.746 0 C-N-CA 123.993 0.917 . . . . 0.0 112.07 168.602 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 88.7 m-85 -87.59 0.31 55.81 Favored 'General case' 0 CA--C 1.545 0.756 0 C-N-CA 125.229 1.411 . . . . 0.0 113.785 179.104 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 51.2 t -58.03 -43.25 86.67 Favored 'General case' 0 N--CA 1.47 0.556 0 C-N-CA 123.767 0.827 . . . . 0.0 113.005 -178.174 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 17.4 m120 . . . . . 0 C--O 1.253 1.28 0 C-N-CA 124.954 1.301 . . . . 0.0 112.421 -173.991 . . . . . . . . 0 0 . 1 . 026 nuclear orig full ' B' B ' 1' ' ' PHE . . . . . . . . . . . . . 74.3 t80 . . . . . 0 N--CA 1.487 1.382 0 CA-C-O 119.818 -0.134 . . . . 0.0 110.702 . . . . . . . . . 0 0 . 1 . 026 nuclear orig full ' B' B ' 2' ' ' VAL . . . . . . . . . . . . . 91.8 t -132.57 123.74 50.04 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.043 0 C-N-CA 124.957 1.303 . . . . 0.0 108.332 170.313 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' B' B ' 3' ' ' ASN . . . . . . . . . . . . . 5.1 m120 -67.73 111.44 4.26 Favored 'General case' 0 CA--C 1.543 0.676 0 C-N-CA 124.55 1.14 . . . . 0.0 109.316 175.911 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' B' B ' 4' ' ' GLN . . . . . . . . . . . . . 15.1 pt20 -157.27 179.79 8.93 Favored 'General case' 0 CA--C 1.537 0.451 0 C-N-CA 124.677 1.191 . . . . 0.0 111.751 -170.392 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' B' B ' 5' ' ' HIS . . . . . 0.439 ' CE1' ' HA ' ' A' ' 9' ' ' SER . 88.6 m-70 -80.63 127.36 32.38 Favored 'General case' 0 CA--C 1.541 0.631 0 C-N-CA 124.397 1.079 . . . . 0.0 110.673 171.885 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 94.6 mt -134.55 136.84 43.32 Favored 'General case' 0 N--CA 1.47 0.574 0 C-N-CA 124.273 1.029 . . . . 0.0 110.738 -176.307 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' B' B ' 7' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -155.35 147.39 23.53 Favored 'General case' 0 N--CA 1.468 0.45 0 C-N-CA 123.734 0.814 . . . . 0.0 111.492 -178.381 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' B' B ' 8' ' ' GLY . . . . . . . . . . . . . . . 57.39 -124.61 36.51 Favored Glycine 0 CA--C 1.529 0.947 0 C-N-CA 124.069 0.842 . . . . 0.0 113.042 177.639 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' B' B ' 9' ' ' SER . . . . . . . . . . . . . 8.9 t -55.85 -40.03 72.3 Favored 'General case' 0 CA--C 1.541 0.621 0 C-N-CA 123.775 0.83 . . . . 0.0 112.391 178.29 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' B' B ' 10' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -63.08 -33.15 74.83 Favored 'General case' 0 N--CA 1.473 0.709 0 O-C-N 120.798 -1.188 . . . . 0.0 112.805 177.074 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 14.3 tp -74.22 -43.56 56.63 Favored 'General case' 0 CA--C 1.538 0.493 0 C-N-CA 124.865 1.266 . . . . 0.0 110.847 178.047 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 86.9 t -61.2 -42.66 94.25 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.162 0 C-N-CA 124.111 0.965 . . . . 0.0 111.265 172.034 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 25.2 mt-10 -57.88 -47.43 82.78 Favored 'General case' 0 N--CA 1.465 0.277 0 C-N-CA 123.67 0.788 . . . . 0.0 111.654 172.628 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -59.74 -45.5 92.02 Favored 'General case' 0 CA--C 1.535 0.401 0 CA-C-N 119.39 0.995 . . . . 0.0 112.341 178.179 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 3.4 mm? -56.87 -38.07 72.23 Favored 'General case' 0 N--CA 1.468 0.47 0 CA-C-N 118.569 0.622 . . . . 0.0 112.169 174.63 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' B' B ' 16' ' ' TYR . . . . . . . . . . . . . 68.0 t80 -63.95 -43.49 95.65 Favored 'General case' 0 CA--C 1.538 0.5 0 CA-C-N 118.946 0.794 . . . . 0.0 111.901 172.991 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 97.4 mt -65.3 -43.55 90.73 Favored 'General case' 0 CA--C 1.533 0.31 0 CA-C-O 118.544 -0.741 . . . . 0.0 112.58 -179.782 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' B' B ' 18' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -78.21 -51.32 17.83 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.059 0 CA-C-N 118.967 0.803 . . . . 0.0 111.755 178.46 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' B' B ' 19' ' ' CYS . . . . . . . . . . . . . 34.2 t -98.25 -39.53 8.8 Favored 'General case' 0 CA--C 1.541 0.606 0 N-CA-C 113.487 0.921 . . . . 0.0 113.487 -166.898 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . -78.85 -35.69 30.71 Favored Glycine 0 N--CA 1.474 1.231 0 C-N-CA 124.334 0.968 . . . . 0.0 114.235 -171.845 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 7.3 mm-40 -62.25 -14.64 40.6 Favored 'General case' 0 CA--C 1.545 0.755 0 C-N-CA 125.839 1.655 . . . . 0.0 113.967 175.793 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' B' B ' 22' ' ' ARG . . . . . . . . . . . . . 97.3 mtt180 -67.66 -25.47 65.73 Favored 'General case' 0 CA--C 1.541 0.613 0 C-N-CA 124.592 1.157 . . . . 0.0 113.157 176.305 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . 73.53 -177.84 43.06 Favored Glycine 0 CA--C 1.531 1.055 0 C-N-CA 124.732 1.158 . . . . 0.0 113.129 -174.557 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' B' B ' 24' ' ' HIS . . . . . . . . . . . . . 89.2 m-70 73.39 -41.28 0.49 Allowed 'General case' 0 N--CA 1.482 1.152 0 C-N-CA 128.43 2.692 . . . . 0.0 114.846 173.862 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' B' B ' 25' ' ' PHE . . . . . . . . . . . . . 87.2 t80 -162.17 133.93 5.42 Favored 'General case' 0 CA--C 1.539 0.522 0 C-N-CA 126.079 1.751 . . . . 0.0 111.115 177.577 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' B' B ' 26' ' ' TYR . . . . . . . . . . . . . 41.4 t80 -154.7 150.9 28.12 Favored 'General case' 0 CA--C 1.541 0.619 0 C-N-CA 126.327 1.851 . . . . 0.0 110.875 178.064 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' B' B ' 27' ' ' THR . . . . . . . . . . . . . 3.2 p -126.28 97.6 34.15 Favored Pre-proline 0 N--CA 1.473 0.683 0 C-N-CA 125.849 1.66 . . . . 0.0 109.571 -178.909 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' B' B ' 28' ' ' PRO . . . . . . . . . . . . . 86.4 Cg_endo -76.51 172.35 16.38 Favored 'Trans proline' 0 C--N 1.352 0.722 0 C-N-CA 123.964 3.109 . . . . 0.0 112.001 179.678 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 63.0 tttm -142.37 144.71 33.28 Favored 'General case' 0 CA--C 1.548 0.866 0 C-N-CA 124.922 1.289 . . . . 0.0 112.22 177.988 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' B' B ' 30' ' ' THR . . . . . . . . . . . . . 24.2 m . . . . . 0 C--O 1.251 1.172 0 C-N-CA 125.894 1.677 . . . . 0.0 111.474 168.602 . . . . . . . . 0 0 . 1 . 027 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.482 1.725 0 N-CA-C 112.501 -0.24 . . . . 0.0 112.501 . . . . . . . . . 0 0 . 1 . 027 nuclear orig full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 7.1 tp -57.97 -34.39 48.64 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.294 0 C-N-CA 125.502 1.521 . . . . 0.0 113.967 -172.371 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 88.3 t -62.46 -35.41 69.72 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.994 0 C-N-CA 123.793 0.837 . . . . 0.0 111.214 176.531 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 41.3 mt-10 -78.41 -8.34 58.37 Favored 'General case' 0 CA--C 1.544 0.743 0 C-N-CA 124.297 1.039 . . . . 0.0 112.521 177.092 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 10.4 tp60 -97.34 -43.11 7.45 Favored 'General case' 0 CA--C 1.538 0.504 0 C-N-CA 124.4 1.08 . . . . 0.0 111.505 173.203 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 97.5 m -112.58 -24.64 9.56 Favored 'General case' 0 N--CA 1.475 0.813 0 N-CA-C 116.462 2.023 . . . . 0.0 116.462 -168.736 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 42.2 t -86.48 -36.32 19.11 Favored 'General case' 0 N--CA 1.48 1.044 0 CA-C-N 119.989 1.268 . . . . 0.0 113.588 -179.836 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 5.3 t -75.15 -27.33 59.68 Favored 'General case' 0 N--CA 1.478 0.961 0 C-N-CA 124.564 1.146 . . . . 0.0 113.336 179.765 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 98.6 p -166.58 168.69 14.37 Favored 'General case' 0 N--CA 1.468 0.429 0 C-N-CA 126.784 2.033 . . . . 0.0 110.638 -174.137 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 14.2 mt -73.79 126.04 33.88 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.513 0 O-C-N 121.44 -0.787 . . . . 0.0 111.391 -172.45 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 29.2 p -104.65 154.03 20.47 Favored 'General case' 0 CA--C 1.535 0.375 0 C-N-CA 124.825 1.25 . . . . 0.0 112.05 172.78 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 70.4 m -93.06 153.46 18.68 Favored 'General case' 0 N--CA 1.469 0.521 0 C-N-CA 123.567 0.747 . . . . 0.0 111.913 171.769 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . 0.405 ' H ' HD21 ' A' ' 13' ' ' LEU . 1.4 pt? -57.95 -42.81 85.73 Favored 'General case' 0 N--CA 1.463 0.224 0 C-N-CA 123.864 0.866 . . . . 0.0 112.106 -176.28 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 21.4 p90 -68.31 -15.32 63.52 Favored 'General case' 0 CA--C 1.536 0.441 0 C-N-CA 124.735 1.214 . . . . 0.0 114.204 -172.962 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 3.9 pt20 -109.72 -24.48 10.88 Favored 'General case' 0 N--CA 1.464 0.255 0 C-N-CA 124.051 0.94 . . . . 0.0 110.716 -179.613 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -76.44 -31.06 57.63 Favored 'General case' 0 CA--C 1.548 0.887 0 CA-C-N 118.992 0.815 . . . . 0.0 111.531 174.197 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 31.8 mt-10 -51.35 -37.58 48.65 Favored 'General case' 0 N--CA 1.481 1.124 0 C-N-CA 124.642 1.177 . . . . 0.0 111.833 171.429 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 6.6 m-80 -63.85 -15.24 58.43 Favored 'General case' 0 CA--C 1.547 0.861 0 C-N-CA 124.246 1.018 . . . . 0.0 113.582 -175.395 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 81.7 m-85 -88.53 -8.89 54.05 Favored 'General case' 0 CA--C 1.542 0.653 0 C-N-CA 125.037 1.335 . . . . 0.0 113.46 175.697 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 10.7 t -75.67 -25.41 56.75 Favored 'General case' 0 CA--C 1.545 0.779 0 C-N-CA 123.871 0.869 . . . . 0.0 112.856 174.758 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 35.5 m120 . . . . . 0 C--O 1.254 1.309 0 C-N-CA 125.817 1.647 . . . . 0.0 113.016 178.81 . . . . . . . . 0 0 . 1 . 027 nuclear orig full ' B' B ' 1' ' ' PHE . . . . . . . . . . . . . 50.1 t80 . . . . . 0 N--CA 1.487 1.408 0 CA-C-O 119.619 -0.229 . . . . 0.0 110.699 . . . . . . . . . 0 0 . 1 . 027 nuclear orig full ' B' B ' 2' ' ' VAL . . . . . . . . . . . . . 92.1 t -128.8 118.97 48.53 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.991 0 C-N-CA 124.892 1.277 . . . . 0.0 108.911 173.422 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' B' B ' 3' ' ' ASN . . . . . . . . . . . . . 68.5 m-20 -68.52 121.14 15.74 Favored 'General case' 0 CA--C 1.537 0.449 0 CA-C-O 121.213 0.53 . . . . 0.0 110.373 164.614 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' B' B ' 4' ' ' GLN . . . . . . . . . . . . . 10.3 pt20 -161.33 -175.85 5.06 Favored 'General case' 0 C--N 1.329 -0.287 0 C-N-CA 125.805 1.642 . . . . 0.0 109.793 -178.815 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' B' B ' 5' ' ' HIS . . . . . . . . . . . . . 79.7 m-70 -77.49 133.03 38.67 Favored 'General case' 0 CA--C 1.541 0.612 0 C-N-CA 123.689 0.795 . . . . 0.0 109.661 169.154 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 93.2 mt -137.8 120.63 16.42 Favored 'General case' 0 N--CA 1.466 0.34 0 C-N-CA 124.871 1.268 . . . . 0.0 110.29 -173.836 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' B' B ' 7' ' ' CYS . . . . . . . . . . . . . 57.8 m -136.24 140.98 43.89 Favored 'General case' 0 CA--C 1.537 0.473 0 C-N-CA 124.937 1.295 . . . . 0.0 110.109 -177.811 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' B' B ' 8' ' ' GLY . . . . . . . . . . . . . . . 57.4 -122.55 29.58 Favored Glycine 0 N--CA 1.472 1.064 0 C-N-CA 123.852 0.739 . . . . 0.0 113.137 172.972 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' B' B ' 9' ' ' SER . . . . . . . . . . . . . 8.8 t -55.81 -39.4 71.29 Favored 'General case' 0 CA--C 1.542 0.65 0 C-N-CA 123.906 0.882 . . . . 0.0 112.485 179.166 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' B' B ' 10' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -63.15 -37.26 86.51 Favored 'General case' 0 N--CA 1.473 0.688 0 O-C-N 120.778 -1.201 . . . . 0.0 112.326 176.214 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 19.7 tp -72.3 -42.53 65.39 Favored 'General case' 0 CA--C 1.536 0.42 0 C-N-CA 124.403 1.081 . . . . 0.0 111.144 178.153 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 69.2 t -59.78 -43.39 91.62 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.961 0 C-N-CA 124.016 0.926 . . . . 0.0 111.142 171.827 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 21.3 mt-10 -58.75 -45.23 90.2 Favored 'General case' 0 N--CA 1.467 0.402 0 C-N-CA 123.75 0.82 . . . . 0.0 112.343 173.534 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -61.02 -49.41 77.53 Favored 'General case' 0 N--CA 1.453 -0.295 0 CA-C-N 119.242 0.928 . . . . 0.0 111.492 176.588 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 3.9 mm? -55.13 -38.22 67.91 Favored 'General case' 0 N--CA 1.47 0.575 0 CA-C-N 119.009 0.822 . . . . 0.0 112.235 176.999 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' B' B ' 16' ' ' TYR . . . . . . . . . . . . . 52.5 t80 -61.72 -42.3 98.77 Favored 'General case' 0 CA--C 1.537 0.469 0 CA-C-N 119.208 0.913 . . . . 0.0 112.462 172.542 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 95.3 mt -70.33 -47.99 58.53 Favored 'General case' 0 CA--C 1.537 0.449 0 O-C-N 121.742 -0.599 . . . . 0.0 112.229 179.428 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' B' B ' 18' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -78.43 -38.07 22.27 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.221 0 CA-C-N 118.867 0.758 . . . . 0.0 112.587 -175.725 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' B' B ' 19' ' ' CYS . . . . . . . . . . . . . 25.9 t -106.18 -46.68 4.01 Favored 'General case' 0 CA--C 1.536 0.431 0 N-CA-C 112.532 0.568 . . . . 0.0 112.532 -174.465 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . -67.56 -52.53 29.73 Favored Glycine 0 N--CA 1.47 0.923 0 C-N-CA 123.874 0.749 . . . . 0.0 112.549 -171.802 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 35.3 tt0 -62.69 -38.57 90.91 Favored 'General case' 0 CA--C 1.541 0.597 0 C-N-CA 124.031 0.933 . . . . 0.0 112.156 179.959 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' B' B ' 22' ' ' ARG . . . . . . . . . . . . . 61.8 mtp180 -65.01 -32.0 73.52 Favored 'General case' 0 N--CA 1.474 0.733 0 O-C-N 121.683 -0.635 . . . . 0.0 112.272 174.088 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . -72.23 -35.47 60.47 Favored Glycine 0 CA--C 1.53 1.013 0 C-N-CA 124.924 1.25 . . . . 0.0 112.924 174.415 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' B' B ' 24' ' ' HIS . . . . . . . . . . . . . 29.6 m170 -68.13 -53.25 26.61 Favored 'General case' 0 CA--C 1.546 0.818 0 C-N-CA 124.038 0.935 . . . . 0.0 111.926 174.007 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' B' B ' 25' ' ' PHE . . . . . . . . . . . . . 70.2 t80 -174.01 109.11 0.14 Allowed 'General case' 0 CA--C 1.541 0.611 0 C-N-CA 126.834 2.054 . . . . 0.0 110.609 175.734 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' B' B ' 26' ' ' TYR . . . . . . . . . . . . . 37.6 t80 -84.23 147.82 27.05 Favored 'General case' 0 CA--C 1.543 0.709 0 C-N-CA 123.788 0.835 . . . . 0.0 112.584 171.079 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' B' B ' 27' ' ' THR . . . . . . . . . . . . . 18.8 p -113.55 99.29 49.31 Favored Pre-proline 0 N--CA 1.474 0.73 0 C-N-CA 126.283 1.833 . . . . 0.0 109.698 175.692 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' B' B ' 28' ' ' PRO . . . . . . . . . . . . . 98.4 Cg_endo -74.51 158.9 43.66 Favored 'Trans proline' 0 C--N 1.351 0.675 0 C-N-CA 123.196 2.597 . . . . 0.0 111.679 179.55 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 22.8 ptmt -159.75 164.37 33.89 Favored 'General case' 0 CA--C 1.546 0.803 0 C-N-CA 125.481 1.513 . . . . 0.0 113.031 -175.249 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' B' B ' 30' ' ' THR . . . . . . . . . . . . . 21.9 m . . . . . 0 C--O 1.252 1.234 0 C-N-CA 126.002 1.721 . . . . 0.0 112.243 178.138 . . . . . . . . 0 0 . 1 . 028 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.664 0 N-CA-C 112.38 -0.288 . . . . 0.0 112.38 . . . . . . . . . 0 0 . 1 . 028 nuclear orig full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 8.6 tp -56.77 -42.82 78.35 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.123 0 C-N-CA 125.729 1.612 . . . . 0.0 113.143 -173.45 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 98.3 t -64.44 -34.95 72.83 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.906 0 C-N-CA 124.002 0.921 . . . . 0.0 110.9 179.288 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 38.2 mt-10 -77.41 -5.26 49.11 Favored 'General case' 0 CA--C 1.542 0.665 0 C-N-CA 124.1 0.96 . . . . 0.0 112.808 178.631 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 9.7 mt-30 -102.1 -53.29 2.96 Favored 'General case' 0 CA--C 1.536 0.41 0 CA-C-N 118.932 0.787 . . . . 0.0 111.215 166.641 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 92.3 m -87.5 -33.68 18.9 Favored 'General case' 0 N--CA 1.469 0.51 0 N-CA-C 115.468 1.655 . . . . 0.0 115.468 -168.367 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 14.1 t -78.4 -25.82 46.26 Favored 'General case' 0 N--CA 1.477 0.896 0 O-C-N 121.241 -0.912 . . . . 0.0 113.322 -179.865 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 5.4 t -89.58 -28.52 19.51 Favored 'General case' 0 N--CA 1.474 0.751 0 C-N-CA 125.024 1.33 . . . . 0.0 113.411 -179.192 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 16.9 m -158.01 174.47 15.18 Favored 'General case' 0 N--CA 1.474 0.774 0 C-N-CA 125.163 1.385 . . . . 0.0 112.535 -169.642 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 24.7 mm -59.55 124.97 14.85 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.864 0 O-C-N 121.158 -0.964 . . . . 0.0 109.094 168.533 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 21.8 p -114.08 147.57 38.53 Favored 'General case' 0 N--CA 1.47 0.56 0 C-N-CA 123.338 0.655 . . . . 0.0 111.946 170.276 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 38.0 m -97.69 152.09 19.46 Favored 'General case' 0 N--CA 1.471 0.586 0 C-N-CA 124.05 0.94 . . . . 0.0 112.556 -178.656 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . 0.422 ' H ' HD21 ' A' ' 13' ' ' LEU . 1.4 pt? -56.31 -43.83 79.34 Favored 'General case' 0 N--CA 1.464 0.26 0 C-N-CA 123.758 0.823 . . . . 0.0 111.817 -175.075 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 21.7 p90 -65.44 -16.66 63.86 Favored 'General case' 0 CA--C 1.538 0.509 0 N-CA-C 114.611 1.337 . . . . 0.0 114.611 -175.013 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 3.9 pt20 -111.42 -29.78 7.65 Favored 'General case' 0 N--CA 1.467 0.413 0 C-N-CA 123.99 0.916 . . . . 0.0 110.41 -177.747 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -69.86 -37.11 76.0 Favored 'General case' 0 CA--C 1.55 0.977 0 C-N-CA 124.001 0.92 . . . . 0.0 110.795 171.765 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 13.2 mt-10 -50.79 -37.89 45.06 Favored 'General case' 0 N--CA 1.479 1.002 0 C-N-CA 126.861 2.065 . . . . 0.0 112.353 173.859 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 3.9 m-80 -62.35 -19.7 63.63 Favored 'General case' 0 CA--C 1.544 0.733 0 C-N-CA 123.88 0.872 . . . . 0.0 112.968 -175.41 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 95.9 m-85 -89.31 -3.16 58.6 Favored 'General case' 0 CA--C 1.542 0.648 0 C-N-CA 125.039 1.336 . . . . 0.0 113.974 177.94 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 28.9 t -69.23 -27.07 65.14 Favored 'General case' 0 CA--C 1.546 0.793 0 O-C-N 121.471 -0.768 . . . . 0.0 112.781 171.067 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 C--O 1.254 1.31 0 C-N-CA 126.025 1.73 . . . . 0.0 112.045 177.016 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' B' B ' 1' ' ' PHE . . . . . . . . . . . . . 69.0 t80 . . . . . 0 N--CA 1.487 1.389 0 CA-C-O 119.644 -0.217 . . . . 0.0 110.8 . . . . . . . . . 0 0 . 1 . 028 nuclear orig full ' B' B ' 2' ' ' VAL . . . . . . . . . . . . . 91.6 t -130.44 119.59 46.47 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.02 0 C-N-CA 125.062 1.345 . . . . 0.0 108.838 173.617 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' B' B ' 3' ' ' ASN . . . . . . . . . . . . . 69.5 m-20 -60.65 122.06 13.77 Favored 'General case' 0 CA--C 1.535 0.367 0 C-N-CA 123.228 0.611 . . . . 0.0 110.18 170.079 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' B' B ' 4' ' ' GLN . . . . . . . . . . . . . 9.8 pt20 -159.38 179.04 9.3 Favored 'General case' 0 CA--C 1.534 0.348 0 C-N-CA 123.356 0.662 . . . . 0.0 111.296 -171.853 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' B' B ' 5' ' ' HIS . . . . . . . . . . . . . 77.0 m-70 -81.22 128.28 33.61 Favored 'General case' 0 CA--C 1.544 0.725 0 C-N-CA 124.157 0.983 . . . . 0.0 110.105 170.162 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 58.7 mt -139.73 134.64 32.17 Favored 'General case' 0 N--CA 1.471 0.625 0 C-N-CA 124.718 1.207 . . . . 0.0 110.78 -172.902 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' B' B ' 7' ' ' CYS . . . . . . . . . . . . . 1.8 t -157.73 145.68 18.82 Favored 'General case' 0 N--CA 1.469 0.479 0 C-N-CA 123.529 0.732 . . . . 0.0 111.59 -179.521 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' B' B ' 8' ' ' GLY . . . . . . . . . . . . . . . 60.07 -126.47 41.67 Favored Glycine 0 CA--C 1.53 1.009 0 C-N-CA 123.987 0.803 . . . . 0.0 112.327 -179.06 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' B' B ' 9' ' ' SER . . . . . . . . . . . . . 17.5 m -54.05 -39.55 66.32 Favored 'General case' 0 N--CA 1.471 0.591 0 C-N-CA 124.472 1.109 . . . . 0.0 112.652 177.984 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' B' B ' 10' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -63.12 -34.42 77.57 Favored 'General case' 0 N--CA 1.471 0.617 0 O-C-N 121.205 -0.934 . . . . 0.0 112.589 176.927 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 14.5 tp -74.18 -41.82 60.86 Favored 'General case' 0 CA--C 1.538 0.497 0 C-N-CA 124.272 1.029 . . . . 0.0 111.074 178.234 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 91.3 t -60.66 -41.63 88.87 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.139 0 C-N-CA 124.363 1.065 . . . . 0.0 111.375 171.18 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 25.4 mt-10 -59.33 -50.94 72.05 Favored 'General case' 0 CA--C 1.53 0.21 0 C-N-CA 123.507 0.723 . . . . 0.0 111.354 171.145 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -58.75 -46.14 88.11 Favored 'General case' 0 CA--C 1.532 0.287 0 CA-C-N 120.004 1.274 . . . . 0.0 112.691 179.713 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 3.8 mm? -56.55 -34.23 66.89 Favored 'General case' 0 N--CA 1.473 0.681 0 CA-C-N 118.919 0.781 . . . . 0.0 112.009 176.235 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' B' B ' 16' ' ' TYR . . . . . . . . . . . . . 87.8 t80 -66.24 -45.49 80.47 Favored 'General case' 0 CA--C 1.536 0.442 0 O-C-N 121.541 -0.724 . . . . 0.0 112.226 169.292 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 84.2 mt -63.48 -45.88 88.73 Favored 'General case' 0 N--CA 1.469 0.477 0 CA-C-N 119.122 0.874 . . . . 0.0 112.657 -179.143 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' B' B ' 18' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -71.39 -46.02 66.44 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.019 0 CA-C-O 119.004 -0.522 . . . . 0.0 112.189 177.535 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' B' B ' 19' ' ' CYS . . . . . . . . . . . . . 9.2 t -123.33 -30.89 3.62 Favored 'General case' 0 N--CA 1.474 0.733 0 N-CA-C 115.824 1.787 . . . . 0.0 115.824 -164.729 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . -80.9 -40.97 11.05 Favored Glycine 0 N--CA 1.475 1.281 0 CA-C-N 119.162 0.892 . . . . 0.0 113.601 -173.205 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 36.0 tt0 -66.01 -33.72 76.46 Favored 'General case' 0 CA--C 1.541 0.615 0 C-N-CA 124.941 1.296 . . . . 0.0 112.254 -178.787 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' B' B ' 22' ' ' ARG . . . . . . . . . . . . . 27.8 ptt180 -80.82 -4.45 54.71 Favored 'General case' 0 CA--C 1.545 0.753 0 N-CA-C 114.226 1.195 . . . . 0.0 114.226 176.425 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . -76.04 167.58 54.67 Favored Glycine 0 CA--C 1.531 1.046 0 C-N-CA 124.866 1.222 . . . . 0.0 113.316 -179.283 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' B' B ' 24' ' ' HIS . . . . . . . . . . . . . 31.9 p80 -70.65 -15.46 62.73 Favored 'General case' 0 CA--C 1.551 1.006 0 N-CA-C 114.583 1.327 . . . . 0.0 114.583 -179.797 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' B' B ' 25' ' ' PHE . . . . . . . . . . . . . 74.3 t80 -157.34 154.8 29.55 Favored 'General case' 0 CA--C 1.542 0.657 0 C-N-CA 126.219 1.807 . . . . 0.0 110.976 -176.715 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' B' B ' 26' ' ' TYR . . . . . . . . . . . . . 58.8 t80 -63.44 151.31 41.46 Favored 'General case' 0 CA--C 1.544 0.732 0 C-N-CA 124.684 1.193 . . . . 0.0 113.618 -179.884 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' B' B ' 27' ' ' THR . . . . . . . . . . . . . 34.5 p -127.36 119.47 21.88 Favored Pre-proline 0 N--CA 1.474 0.76 0 C-N-CA 125.23 1.412 . . . . 0.0 109.22 173.634 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' B' B ' 28' ' ' PRO . . . . . . . . . . . . . 87.5 Cg_endo -77.26 157.18 33.43 Favored 'Trans proline' 0 C--N 1.349 0.576 0 C-N-CA 123.264 2.643 . . . . 0.0 112.071 -173.794 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 18.6 mmtp -97.02 139.65 32.72 Favored 'General case' 0 CA--C 1.545 0.763 0 C-N-CA 124.591 1.156 . . . . 0.0 111.385 -173.338 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' B' B ' 30' ' ' THR . . . . . . . . . . . . . 12.5 t . . . . . 0 C--O 1.252 1.23 0 C-N-CA 126.075 1.75 . . . . 0.0 111.994 -176.345 . . . . . . . . 0 0 . 1 . 029 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.698 0 N-CA-C 111.554 -0.619 . . . . 0.0 111.554 . . . . . . . . . 0 0 . 1 . 029 nuclear orig full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 9.0 tp -66.72 -43.21 90.22 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.993 0 N-CA-C 113.589 0.959 . . . . 0.0 113.589 -172.472 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 93.7 t -72.06 -41.45 67.82 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.056 0 C-N-CA 123.628 0.771 . . . . 0.0 109.977 -177.951 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 1.1 pm0 -78.2 12.3 1.94 Allowed 'General case' 0 CA--C 1.547 0.861 0 C-N-CA 125.05 1.34 . . . . 0.0 113.557 173.755 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 20.9 mm-40 -109.62 -61.42 1.64 Allowed 'General case' 0 CA--C 1.537 0.47 0 O-C-N 120.646 -1.284 . . . . 0.0 110.94 152.313 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 98.5 m -75.92 -36.73 59.3 Favored 'General case' 0 CA--C 1.537 0.449 0 N-CA-C 115.469 1.655 . . . . 0.0 115.469 -167.951 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 14.1 t -77.25 -29.4 53.97 Favored 'General case' 0 N--CA 1.474 0.767 0 O-C-N 121.088 -1.008 . . . . 0.0 113.025 -179.715 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 12.5 t -88.12 -32.77 18.51 Favored 'General case' 0 N--CA 1.474 0.735 0 C-N-CA 124.845 1.258 . . . . 0.0 112.932 179.958 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 3.5 t -149.91 -175.64 5.12 Favored 'General case' 0 CA--C 1.542 0.638 0 N-CA-C 113.512 0.93 . . . . 0.0 113.512 -177.083 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 36.4 mm -60.52 129.79 23.55 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.417 0 C-N-CA 123.833 0.853 . . . . 0.0 109.662 169.867 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 17.6 p -124.49 148.86 47.43 Favored 'General case' 0 CA--C 1.537 0.452 0 CA-C-O 121.643 0.735 . . . . 0.0 112.137 167.626 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 50.9 m -108.05 157.12 18.53 Favored 'General case' 0 N--CA 1.469 0.502 0 C-N-CA 124.821 1.248 . . . . 0.0 112.542 -179.89 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . 0.424 HD22 ' H ' ' A' ' 13' ' ' LEU . 1.3 pt? -54.58 -44.85 73.35 Favored 'General case' 0 N--CA 1.463 0.215 0 C-N-CA 124.437 1.095 . . . . 0.0 111.863 -174.986 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 27.3 p90 -64.8 -16.93 63.73 Favored 'General case' 0 CA--C 1.538 0.499 0 N-CA-C 114.48 1.289 . . . . 0.0 114.48 -173.135 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 3.5 pt20 -115.28 -26.53 7.58 Favored 'General case' 0 CA--C 1.533 0.3 0 C-N-CA 124.352 1.061 . . . . 0.0 110.803 -176.291 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -72.92 -36.48 67.26 Favored 'General case' 0 CA--C 1.552 1.02 0 C-N-CA 124.167 0.987 . . . . 0.0 110.895 171.429 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 13.3 mt-10 -50.71 -38.48 47.38 Favored 'General case' 0 N--CA 1.481 1.121 0 C-N-CA 126.949 2.099 . . . . 0.0 112.035 174.735 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 3.2 m-80 -60.22 -21.03 61.29 Favored 'General case' 0 CA--C 1.543 0.676 0 C-N-CA 124.643 1.177 . . . . 0.0 113.152 -176.093 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 96.4 m-85 -90.99 -5.62 55.13 Favored 'General case' 0 CA--C 1.54 0.589 0 C-N-CA 125.092 1.357 . . . . 0.0 114.268 179.995 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 17.1 t -71.65 -26.01 62.37 Favored 'General case' 0 CA--C 1.546 0.813 0 O-C-N 121.478 -0.763 . . . . 0.0 112.779 172.071 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 C--O 1.253 1.278 0 C-N-CA 126.203 1.801 . . . . 0.0 112.083 177.311 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' B' B ' 1' ' ' PHE . . . . . . . . . . . . . 39.6 t80 . . . . . 0 N--CA 1.487 1.393 0 CA-C-O 119.445 -0.312 . . . . 0.0 110.573 . . . . . . . . . 0 0 . 1 . 029 nuclear orig full ' B' B ' 2' ' ' VAL . . . . . . . . . . . . . 59.8 t -120.93 126.07 74.78 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.09 0 C-N-CA 124.97 1.308 . . . . 0.0 108.928 176.09 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' B' B ' 3' ' ' ASN . . . . . . . . . . . . . 71.4 m-20 -80.79 114.08 19.43 Favored 'General case' 0 CA--C 1.538 0.486 0 N-CA-C 109.351 -0.611 . . . . 0.0 109.351 172.897 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' B' B ' 4' ' ' GLN . . . . . . . . . . . . . 7.8 pt20 -157.78 -179.45 8.16 Favored 'General case' 0 CA--C 1.537 0.446 0 C-N-CA 123.915 0.886 . . . . 0.0 111.327 -171.129 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' B' B ' 5' ' ' HIS . . . . . . . . . . . . . 67.2 m-70 -76.41 137.1 39.54 Favored 'General case' 0 CA--C 1.544 0.733 0 C-N-CA 124.434 1.094 . . . . 0.0 110.124 166.208 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 72.3 mt -146.13 132.72 19.83 Favored 'General case' 0 N--CA 1.473 0.677 0 C-N-CA 125.586 1.554 . . . . 0.0 110.246 -175.837 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' B' B ' 7' ' ' CYS . . . . . . . . . . . . . 3.3 t -156.08 146.14 21.39 Favored 'General case' 0 N--CA 1.469 0.509 0 C-N-CA 123.402 0.681 . . . . 0.0 111.74 -178.385 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' B' B ' 8' ' ' GLY . . . . . . . . . . . . . . . 60.66 -126.36 40.82 Favored Glycine 0 CA--C 1.529 0.953 0 C-N-CA 123.874 0.749 . . . . 0.0 112.485 179.77 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' B' B ' 9' ' ' SER . . . . . . . . . . . . . 8.8 t -56.01 -38.68 70.82 Favored 'General case' 0 N--CA 1.473 0.683 0 C-N-CA 123.67 0.788 . . . . 0.0 112.421 178.105 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' B' B ' 10' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -62.78 -34.86 78.13 Favored 'General case' 0 N--CA 1.474 0.758 0 O-C-N 120.842 -1.162 . . . . 0.0 112.776 175.329 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 15.0 tp -73.23 -42.93 62.02 Favored 'General case' 0 CA--C 1.536 0.43 0 C-N-CA 124.096 0.958 . . . . 0.0 111.083 177.405 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 92.9 t -60.03 -42.38 89.51 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.053 0 C-N-CA 124.18 0.992 . . . . 0.0 111.117 172.185 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 21.3 mt-10 -58.5 -48.74 79.81 Favored 'General case' 0 CA--C 1.531 0.221 0 C-N-CA 123.479 0.711 . . . . 0.0 111.694 171.918 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -59.1 -47.01 86.82 Favored 'General case' 0 CA--C 1.532 0.275 0 CA-C-N 119.881 1.219 . . . . 0.0 112.616 178.114 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 3.9 mm? -56.73 -35.73 68.9 Favored 'General case' 0 N--CA 1.472 0.658 0 CA-C-N 118.87 0.759 . . . . 0.0 112.105 176.15 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' B' B ' 16' ' ' TYR . . . . . . . . . . . . . 84.3 t80 -63.06 -45.74 90.79 Favored 'General case' 0 CA--C 1.535 0.396 0 CA-C-N 118.842 0.747 . . . . 0.0 112.028 169.975 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 86.7 mt -62.71 -52.66 62.39 Favored 'General case' 0 CA--C 1.537 0.472 0 CA-C-N 119.244 0.929 . . . . 0.0 111.882 179.436 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' B' B ' 18' ' ' VAL . . . . . . . . . . . . . 0.1 OUTLIER -69.44 -43.85 80.48 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.968 0 N-CA-C 112.657 0.614 . . . . 0.0 112.657 -177.178 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' B' B ' 19' ' ' CYS . . . . . . . . . . . . . 7.9 t -115.35 -20.08 10.45 Favored 'General case' 0 N--CA 1.474 0.726 0 N-CA-C 115.209 1.559 . . . . 0.0 115.209 -165.688 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . -95.12 -52.9 1.68 Allowed Glycine 0 N--CA 1.475 1.272 0 C-N-CA 124.485 1.04 . . . . 0.0 113.133 179.109 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 12.4 tm-20 -85.81 -41.19 15.25 Favored 'General case' 0 CA--C 1.541 0.632 0 C-N-CA 126.083 1.753 . . . . 0.0 111.654 -178.236 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' B' B ' 22' ' ' ARG . . . . . . . . . . . . . 57.6 mtp85 63.46 8.57 3.62 Favored 'General case' 0 CA--C 1.547 0.83 0 C-N-CA 128.32 2.648 . . . . 0.0 115.678 164.959 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . -79.48 -16.75 77.33 Favored Glycine 0 N--CA 1.472 1.069 0 C-N-CA 125.028 1.299 . . . . 0.0 115.236 -172.705 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' B' B ' 24' ' ' HIS . . . . . . . . . . . . . 11.8 p80 -145.27 141.79 28.91 Favored 'General case' 0 CA--C 1.553 1.063 0 C-N-CA 125.437 1.495 . . . . 0.0 113.094 -178.496 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' B' B ' 25' ' ' PHE . . . . . . . . . . . . . 86.3 t80 -69.16 145.64 53.11 Favored 'General case' 0 CA--C 1.541 0.609 0 C-N-CA 127.045 2.138 . . . . 0.0 111.631 -10.471 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' B' B ' 26' ' ' TYR . . . . . . . . . . . . . 65.8 t80 -136.01 149.9 49.0 Favored 'General case' 0 CA--C 1.539 0.519 0 C-N-CA 125.01 1.324 . . . . 0.0 111.553 170.788 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' B' B ' 27' ' ' THR . . . . . . . . . . . . . 5.9 t -138.55 129.13 15.18 Favored Pre-proline 0 N--CA 1.469 0.521 0 C-N-CA 125.895 1.678 . . . . 0.0 108.278 170.793 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' B' B ' 28' ' ' PRO . . . . . . . . . . . . . 63.1 Cg_endo -82.87 156.33 15.49 Favored 'Trans proline' 0 C--N 1.35 0.635 0 C-N-CA 122.727 2.285 . . . . 0.0 112.712 -164.376 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 14.9 ptmm? -151.36 19.48 0.74 Allowed 'General case' 0 CA--C 1.549 0.921 0 C-N-CA 125.055 1.342 . . . . 0.0 113.956 -174.06 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' B' B ' 30' ' ' THR . . . . . . . . . . . . . 19.7 p . . . . . 0 C--O 1.255 1.37 0 C-N-CA 126.409 1.884 . . . . 0.0 113.695 179.23 . . . . . . . . 0 0 . 1 . 030 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.626 0 CA-C-O 119.48 -0.622 . . . . 0.0 112.356 . . . . . . . . . 0 0 . 1 . 030 nuclear orig full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 4.9 tp 150.8 -41.71 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.486 1.331 1 C-N-CA 135.095 5.358 . . . . 0.0 111.035 173.176 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 96.4 t -64.14 -41.9 93.89 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.043 0 C-N-CA 124.836 1.254 . . . . 0.0 110.669 -177.462 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 1.3 pm0 -72.36 9.06 1.12 Allowed 'General case' 0 CA--C 1.545 0.76 0 C-N-CA 125.018 1.327 . . . . 0.0 113.557 175.813 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 24.6 mm-40 -121.86 -54.21 1.94 Allowed 'General case' 0 CA--C 1.537 0.455 0 C-N-CA 124.814 1.245 . . . . 0.0 110.709 169.25 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 2.2 t -90.58 -23.64 20.79 Favored 'General case' 0 N--CA 1.473 0.712 0 N-CA-C 115.255 1.576 . . . . 0.0 115.255 -172.267 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 13.6 t -75.05 -27.45 60.0 Favored 'General case' 0 N--CA 1.479 0.987 0 O-C-N 120.572 -1.33 . . . . 0.0 112.719 170.18 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 11.2 t -94.06 -32.26 13.87 Favored 'General case' 0 N--CA 1.475 0.814 0 C-N-CA 125.155 1.382 . . . . 0.0 112.995 179.84 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 4.5 t -144.38 -173.4 4.02 Favored 'General case' 0 CA--C 1.543 0.694 0 C-N-CA 124.418 1.087 . . . . 0.0 113.15 -179.377 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 31.0 mm -66.65 136.12 27.28 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.542 0 O-C-N 120.736 -1.228 . . . . 0.0 110.578 174.791 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 16.2 p -123.56 159.1 29.91 Favored 'General case' 0 N--CA 1.471 0.598 0 CA-C-O 121.913 0.864 . . . . 0.0 112.399 157.181 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 32.3 m -130.29 150.82 51.36 Favored 'General case' 0 N--CA 1.466 0.333 0 C-N-CA 125.556 1.542 . . . . 0.0 110.214 -173.221 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 1.6 pt? -54.94 -40.03 69.52 Favored 'General case' 0 N--CA 1.463 0.191 0 C-N-CA 123.727 0.811 . . . . 0.0 112.287 -170.234 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 29.3 p90 -68.55 -13.78 62.56 Favored 'General case' 0 CA--C 1.534 0.332 0 C-N-CA 124.855 1.262 . . . . 0.0 114.262 -174.351 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 9.4 pt20 -122.04 -26.43 4.76 Favored 'General case' 0 C--O 1.222 -0.38 0 C-N-CA 123.887 0.875 . . . . 0.0 111.48 179.931 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -76.27 -27.54 56.71 Favored 'General case' 0 CA--C 1.545 0.764 0 CA-C-N 119.977 1.262 . . . . 0.0 112.003 179.033 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 17.1 mt-10 -51.04 -33.78 26.81 Favored 'General case' 0 N--CA 1.48 1.046 0 C-N-CA 123.853 0.861 . . . . 0.0 111.881 169.627 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 50.8 m-20 -60.87 -24.34 65.85 Favored 'General case' 0 CA--C 1.543 0.71 0 C-N-CA 124.887 1.275 . . . . 0.0 112.882 -175.05 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 63.0 m-85 -87.92 -7.56 56.98 Favored 'General case' 0 CA--C 1.543 0.679 0 C-N-CA 126.213 1.805 . . . . 0.0 113.42 -177.418 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 35.7 t -68.42 -29.82 68.58 Favored 'General case' 0 CA--C 1.544 0.736 0 N-CA-C 113.34 0.867 . . . . 0.0 113.34 179.583 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 C--O 1.253 1.289 0 C-N-CA 125.949 1.7 . . . . 0.0 111.21 -177.493 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' B' B ' 1' ' ' PHE . . . . . . . . . . . . . 36.1 t80 . . . . . 0 N--CA 1.487 1.416 0 CA-C-O 119.606 -0.235 . . . . 0.0 110.669 . . . . . . . . . 0 0 . 1 . 030 nuclear orig full ' B' B ' 2' ' ' VAL . . . . . . . . . . . . . 65.5 t -126.99 127.96 70.22 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.046 0 C-N-CA 124.947 1.299 . . . . 0.0 108.946 175.469 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' B' B ' 3' ' ' ASN . . . . . . . . . . . . . 69.8 m-20 -81.37 115.98 20.98 Favored 'General case' 0 CA--C 1.539 0.547 0 N-CA-C 109.39 -0.596 . . . . 0.0 109.39 173.058 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' B' B ' 4' ' ' GLN . . . . . . . . . . . . . 8.5 pt20 -160.86 -178.87 7.12 Favored 'General case' 0 CA--C 1.537 0.463 0 C-N-CA 123.75 0.82 . . . . 0.0 111.442 -170.216 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' B' B ' 5' ' ' HIS . . . . . . . . . . . . . 60.3 m-70 -77.44 138.08 39.05 Favored 'General case' 0 CA--C 1.545 0.788 0 C-N-CA 124.599 1.16 . . . . 0.0 109.761 165.929 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 79.9 mt -145.12 139.57 27.4 Favored 'General case' 0 N--CA 1.473 0.684 0 C-N-CA 125.304 1.442 . . . . 0.0 110.547 -176.883 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' B' B ' 7' ' ' CYS . . . . . . . . . . . . . 2.8 t -155.51 147.41 23.33 Favored 'General case' 0 N--CA 1.468 0.444 0 O-C-N 121.656 -0.653 . . . . 0.0 111.925 -179.01 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' B' B ' 8' ' ' GLY . . . . . . . . . . . . . . . 60.18 -129.13 47.3 Favored Glycine 0 N--CA 1.47 0.941 0 C-N-CA 123.956 0.789 . . . . 0.0 112.373 179.94 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' B' B ' 9' ' ' SER . . . . . . . . . . . . . 16.3 m -53.61 -39.71 65.13 Favored 'General case' 0 N--CA 1.469 0.514 0 C-N-CA 124.5 1.12 . . . . 0.0 112.66 178.33 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' B' B ' 10' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -62.68 -36.96 84.58 Favored 'General case' 0 CA--C 1.543 0.701 0 O-C-N 121.255 -0.903 . . . . 0.0 112.625 178.004 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 16.1 tp -73.49 -43.8 59.34 Favored 'General case' 0 CA--C 1.536 0.429 0 C-N-CA 124.644 1.178 . . . . 0.0 110.97 177.889 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 77.8 t -60.23 -43.1 92.59 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.015 0 C-N-CA 123.874 0.87 . . . . 0.0 111.134 173.594 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 22.5 mt-10 -59.19 -44.74 92.2 Favored 'General case' 0 N--CA 1.467 0.395 0 C-N-CA 124.43 1.092 . . . . 0.0 112.15 174.006 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -61.33 -51.06 70.43 Favored 'General case' 0 N--CA 1.453 -0.3 0 CA-C-O 118.384 -0.817 . . . . 0.0 111.243 176.479 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 4.0 mm? -54.26 -39.37 66.8 Favored 'General case' 0 N--CA 1.472 0.634 0 CA-C-N 119.18 0.9 . . . . 0.0 112.171 177.832 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' B' B ' 16' ' ' TYR . . . . . . . . . . . . . 63.5 t80 -60.45 -45.74 92.57 Favored 'General case' 0 N--CA 1.467 0.387 0 CA-C-N 118.816 0.735 . . . . 0.0 112.152 172.666 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 96.1 mt -65.66 -51.85 56.27 Favored 'General case' 0 CA--C 1.536 0.432 0 CA-C-N 118.675 0.67 . . . . 0.0 111.74 177.984 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' B' B ' 18' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -75.55 -30.27 21.78 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.162 0 CA-C-O 118.232 -0.89 . . . . 0.0 113.163 -172.254 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' B' B ' 19' ' ' CYS . . . . . . . . . . . . . 21.3 t -113.33 -36.31 5.04 Favored 'General case' 0 CA--C 1.538 0.499 0 N-CA-C 114.33 1.234 . . . . 0.0 114.33 -174.409 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . -85.26 -51.93 3.57 Favored Glycine 0 CA--C 1.53 0.981 0 C-N-CA 124.045 0.831 . . . . 0.0 112.896 -176.454 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 9.3 tp10 -78.37 -55.21 5.41 Favored 'General case' 0 CA--C 1.541 0.597 0 C-N-CA 125.137 1.375 . . . . 0.0 111.11 -178.373 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' B' B ' 22' ' ' ARG . . . . . . . . . . . . . 47.2 mtt180 56.7 1.46 0.08 Allowed 'General case' 0 N--CA 1.476 0.873 0 N-CA-C 117.373 2.36 . . . . 0.0 117.373 175.532 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . -66.53 -26.45 72.84 Favored Glycine 0 N--CA 1.477 1.38 0 C-N-CA 125.227 1.394 . . . . 0.0 114.824 -172.972 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' B' B ' 24' ' ' HIS . . . . . . . . . . . . . 24.1 p80 -61.91 -31.2 71.49 Favored 'General case' 0 CA--C 1.549 0.909 0 C-N-CA 125.222 1.409 . . . . 0.0 113.771 172.526 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' B' B ' 25' ' ' PHE . . . . . . . . . . . . . 48.9 t80 67.18 160.22 0.15 Allowed 'General case' 0 CA--C 1.546 0.803 0 C-N-CA 128.082 2.553 . . . . 0.0 113.93 175.165 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' B' B ' 26' ' ' TYR . . . . . . . . . . . . . 5.1 t80 -150.49 148.21 28.43 Favored 'General case' 0 CA--C 1.541 0.602 0 C-N-CA 125.716 1.606 . . . . 0.0 112.521 172.171 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' B' B ' 27' ' ' THR . . . . . 0.464 ' H ' ' HA ' ' B' ' 28' ' ' PRO . 6.0 t -155.4 -16.8 0.0 OUTLIER Pre-proline 0 CA--C 1.552 1.05 0 N-CA-C 118.047 2.61 . . . . 0.0 118.047 -179.392 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' B' B ' 28' ' ' PRO . . . . . 0.464 ' HA ' ' H ' ' B' ' 27' ' ' THR . 87.9 Cg_endo -77.24 159.6 95.08 Favored 'Cis proline' 0 C--N 1.362 1.27 0 CA-C-N 125.179 2.885 . . . . 0.0 113.235 -0.496 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 14.6 mmmm -63.95 141.05 58.91 Favored 'General case' 0 CA--C 1.545 0.786 0 C-N-CA 123.135 0.574 . . . . 0.0 112.013 172.694 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' B' B ' 30' ' ' THR . . . . . . . . . . . . . 12.6 t . . . . . 0 C--O 1.252 1.206 0 C-N-CA 126.954 2.102 . . . . 0.0 111.921 -175.575 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 8.4 tp . . . . . 0 N--CA 1.481 1.087 0 N-CA-C 113.576 0.954 . . . . 0.0 113.576 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 93.5 t -64.03 -41.92 94.04 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.929 0 O-C-N 121.457 -0.777 . . . . 0.0 110.187 177.668 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 42.4 mp0 -73.04 -6.46 45.72 Favored 'General case' 0 CA--C 1.547 0.828 0 C-N-CA 124.003 0.921 . . . . 0.0 113.06 176.076 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 40.3 tp60 -98.78 -40.93 7.9 Favored 'General case' 0 CA--C 1.54 0.577 0 C-N-CA 124.44 1.096 . . . . 0.0 111.807 174.017 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 89.4 m -107.52 -30.49 8.6 Favored 'General case' 0 N--CA 1.475 0.799 0 N-CA-C 115.933 1.827 . . . . 0.0 115.933 -171.872 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 23.7 t -78.82 -33.83 45.77 Favored 'General case' 0 N--CA 1.479 0.999 0 O-C-N 120.954 -1.091 . . . . 0.0 113.661 -177.089 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 6.4 t -82.71 -30.25 29.25 Favored 'General case' 0 N--CA 1.477 0.911 0 C-N-CA 125.285 1.434 . . . . 0.0 113.246 -177.828 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 93.1 p -164.24 170.45 16.24 Favored 'General case' 0 CA--C 1.536 0.436 0 C-N-CA 126.69 1.996 . . . . 0.0 110.536 -172.544 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 9.8 mt -71.23 130.69 35.02 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.455 0 O-C-N 121.412 -0.805 . . . . 0.0 112.367 -170.291 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 18.8 p -115.69 166.36 12.02 Favored 'General case' 0 CA--C 1.541 0.609 0 C-N-CA 125.098 1.359 . . . . 0.0 111.619 171.228 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 50.7 m -131.43 155.35 47.49 Favored 'General case' 0 N--CA 1.467 0.391 0 C-N-CA 124.912 1.285 . . . . 0.0 111.261 -173.571 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 13' ' ' LEU . . . . . 0.55 ' H ' HD23 ' A' ' 13' ' ' LEU . 1.4 pt? -53.93 -42.86 69.26 Favored 'General case' 0 N--CA 1.464 0.248 0 C-N-CA 124.261 1.024 . . . . 0.0 111.929 -172.899 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 27.6 p90 -67.08 -13.87 62.35 Favored 'General case' 0 CA--C 1.536 0.43 0 N-CA-C 114.569 1.322 . . . . 0.0 114.569 -173.874 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 5.1 pt20 -118.36 -31.83 4.83 Favored 'General case' 0 C--O 1.223 -0.315 0 C-N-CA 123.956 0.902 . . . . 0.0 110.848 -178.641 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 16' ' ' LEU . . . . . 0.539 HD11 HG21 ' B' ' 18' ' ' VAL . 0.2 OUTLIER -70.06 -32.41 70.5 Favored 'General case' 0 CA--C 1.549 0.939 0 CA-C-N 119.21 0.913 . . . . 0.0 111.175 176.854 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 13.8 mt-10 -46.37 -36.98 6.94 Favored 'General case' 0 N--CA 1.479 0.977 0 C-N-CA 126.237 1.815 . . . . 0.0 112.548 169.782 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 80.9 m-20 -62.4 -24.52 67.44 Favored 'General case' 0 CA--C 1.541 0.628 0 C-N-CA 124.795 1.238 . . . . 0.0 112.89 -173.893 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 85.4 m-85 -88.18 -1.15 57.84 Favored 'General case' 0 CA--C 1.544 0.722 0 C-N-CA 126.164 1.786 . . . . 0.0 113.777 -176.134 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 6.6 t -76.06 -3.93 38.6 Favored 'General case' 0 CA--C 1.551 1.004 0 C-N-CA 124.148 0.979 . . . . 0.0 113.596 173.506 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 5.6 p-10 . . . . . 0 C--O 1.253 1.274 0 C-N-CA 126.48 1.912 . . . . 0.0 114.457 179.467 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' B' B ' 1' ' ' PHE . . . . . . . . . . . . . 38.7 t80 . . . . . 0 N--CA 1.487 1.399 0 CA-C-O 119.577 -0.249 . . . . 0.0 110.715 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' B' B ' 2' ' ' VAL . . . . . . . . . . . . . 61.5 t -128.46 127.94 67.61 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.05 0 C-N-CA 124.963 1.305 . . . . 0.0 108.962 174.983 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 3' ' ' ASN . . . . . . . . . . . . . 72.9 m-20 -81.53 112.69 18.99 Favored 'General case' 0 CA--C 1.537 0.453 0 C-N-CA 123.178 0.591 . . . . 0.0 109.52 172.573 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 4' ' ' GLN . . . . . . . . . . . . . 6.0 pt20 -158.46 -179.1 7.78 Favored 'General case' 0 CA--C 1.537 0.463 0 C-N-CA 125.251 1.42 . . . . 0.0 110.829 -172.703 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 5' ' ' HIS . . . . . . . . . . . . . 70.3 m-70 -75.18 136.12 41.04 Favored 'General case' 0 CA--C 1.542 0.672 0 C-N-CA 124.257 1.023 . . . . 0.0 109.835 167.574 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 86.9 mt -143.65 133.93 24.53 Favored 'General case' 0 N--CA 1.47 0.537 0 C-N-CA 124.942 1.297 . . . . 0.0 110.295 -175.812 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 7' ' ' CYS . . . . . . . . . . . . . 1.8 t -157.0 146.42 20.42 Favored 'General case' 0 N--CA 1.468 0.462 0 C-N-CA 123.665 0.786 . . . . 0.0 111.403 -175.715 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 8' ' ' GLY . . . . . . . . . . . . . . . 58.71 -127.28 44.85 Favored Glycine 0 CA--C 1.531 1.046 0 C-N-CA 123.902 0.763 . . . . 0.0 112.717 179.394 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 9' ' ' SER . . . . . . . . . . . . . 8.8 t -56.33 -38.1 70.87 Favored 'General case' 0 N--CA 1.473 0.687 0 C-N-CA 123.746 0.819 . . . . 0.0 112.607 178.698 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 10' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -62.75 -35.13 78.8 Favored 'General case' 0 CA--C 1.544 0.741 0 O-C-N 120.73 -1.231 . . . . 0.0 112.623 175.673 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 15.8 tp -74.12 -42.19 60.42 Favored 'General case' 0 CA--C 1.536 0.441 0 C-N-CA 124.398 1.079 . . . . 0.0 111.072 177.484 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 91.2 t -59.81 -41.79 86.82 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.106 0 C-N-CA 124.12 0.968 . . . . 0.0 111.189 171.532 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 19.7 mt-10 -58.77 -49.67 76.78 Favored 'General case' 0 N--CA 1.465 0.304 0 C-N-CA 123.425 0.69 . . . . 0.0 111.595 171.794 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 14' ' ' ALA . . . . . 0.539 ' O ' HG22 ' B' ' 18' ' ' VAL . . . -58.58 -47.0 85.75 Favored 'General case' 0 CA--C 1.534 0.364 0 CA-C-N 119.85 1.205 . . . . 0.0 112.529 177.724 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 3.9 mm? -57.2 -35.09 69.21 Favored 'General case' 0 N--CA 1.47 0.543 0 C-N-CA 123.549 0.74 . . . . 0.0 112.095 176.181 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 16' ' ' TYR . . . . . . . . . . . . . 90.0 t80 -62.48 -45.1 94.56 Favored 'General case' 0 CA--C 1.536 0.421 0 O-C-N 121.294 -0.878 . . . . 0.0 112.018 169.94 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 77.5 mt -65.97 -47.04 75.92 Favored 'General case' 0 N--CA 1.466 0.368 0 CA-C-N 118.868 0.758 . . . . 0.0 112.584 -178.079 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 18' ' ' VAL . . . . . 0.539 HG21 HD11 ' A' ' 16' ' ' LEU . 0.1 OUTLIER -72.99 -40.65 59.44 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.944 0 N-CA-C 112.928 0.714 . . . . 0.0 112.928 -179.989 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' B' B ' 19' ' ' CYS . . . . . . . . . . . . . 18.9 t -127.11 -36.79 2.13 Favored 'General case' 0 N--CA 1.473 0.676 0 N-CA-C 114.713 1.375 . . . . 0.0 114.713 -167.134 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.476 1.346 0 O-C-N 121.529 -0.732 . . . . 0.0 113.218 -169.607 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 6.8 tp . . . . . 0 N--CA 1.484 1.239 0 N-CA-C 113.909 1.077 . . . . 0.0 113.909 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 91.5 t -64.01 -33.66 63.66 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.008 0 C-N-CA 123.823 0.849 . . . . 0.0 111.113 176.928 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 29.6 tt0 -82.46 -3.34 55.58 Favored 'General case' 0 CA--C 1.549 0.911 0 C-N-CA 124.893 1.277 . . . . 0.0 112.579 175.875 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 8.6 tp-100 -96.57 -48.66 5.44 Favored 'General case' 0 CA--C 1.538 0.505 0 O-C-N 120.975 -1.078 . . . . 0.0 110.656 167.827 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 65.0 m -108.72 -26.79 10.15 Favored 'General case' 0 N--CA 1.47 0.557 0 N-CA-C 116.511 2.041 . . . . 0.0 116.511 -166.128 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 47.8 t -86.99 -35.24 18.93 Favored 'General case' 0 N--CA 1.478 0.97 0 CA-C-N 120.546 1.521 . . . . 0.0 113.255 179.885 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 5.2 t -79.37 -21.15 46.15 Favored 'General case' 0 N--CA 1.475 0.82 0 C-N-CA 125.017 1.327 . . . . 0.0 113.32 178.95 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 26.9 p -157.45 163.15 38.81 Favored 'General case' 0 CA--C 1.542 0.655 0 C-N-CA 125.302 1.441 . . . . 0.0 112.141 -171.658 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 20.6 mm -60.43 129.21 22.71 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.892 0 O-C-N 121.477 -0.764 . . . . 0.0 109.471 172.08 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 16.8 p -120.35 157.94 28.17 Favored 'General case' 0 N--CA 1.47 0.554 0 CA-C-O 121.852 0.834 . . . . 0.0 113.07 172.453 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 30.6 m -104.92 152.32 22.8 Favored 'General case' 0 CA--C 1.535 0.397 0 C-N-CA 124.973 1.309 . . . . 0.0 112.129 177.873 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 13' ' ' LEU . . . . . 0.527 ' H ' HD23 ' A' ' 13' ' ' LEU . 1.8 pt? -57.04 -41.84 79.38 Favored 'General case' 0 CA--C 1.531 0.215 0 C-N-CA 124.097 0.959 . . . . 0.0 112.256 -176.632 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 19.6 p90 -69.02 -15.85 63.57 Favored 'General case' 0 CA--C 1.535 0.394 0 C-N-CA 124.749 1.22 . . . . 0.0 114.048 -172.982 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 3.2 pt20 -109.53 -26.2 10.07 Favored 'General case' 0 C--O 1.224 -0.283 0 C-N-CA 123.85 0.86 . . . . 0.0 110.649 179.686 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -75.47 -30.67 60.0 Favored 'General case' 0 CA--C 1.548 0.884 0 CA-C-N 119.113 0.87 . . . . 0.0 111.541 176.141 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 23.6 mt-10 -53.18 -36.12 60.57 Favored 'General case' 0 N--CA 1.479 1.023 0 C-N-CA 124.41 1.084 . . . . 0.0 112.147 170.906 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 7.5 m-80 -64.21 -14.07 52.98 Favored 'General case' 0 CA--C 1.547 0.853 0 N-CA-C 113.395 0.887 . . . . 0.0 113.395 -176.026 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 88.7 m-85 -91.27 -5.28 54.97 Favored 'General case' 0 CA--C 1.544 0.746 0 C-N-CA 125.296 1.438 . . . . 0.0 113.386 174.689 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 15.4 t -72.96 -27.79 62.04 Favored 'General case' 0 CA--C 1.544 0.725 0 C-N-CA 124.328 1.051 . . . . 0.0 112.653 172.273 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 35.4 m120 . . . . . 0 C--O 1.253 1.279 0 C-N-CA 125.923 1.689 . . . . 0.0 113.021 179.318 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' B' B ' 1' ' ' PHE . . . . . . . . . . . . . 74.5 t80 . . . . . 0 N--CA 1.487 1.404 0 N-CA-C 110.712 -0.107 . . . . 0.0 110.712 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' B' B ' 2' ' ' VAL . . . . . . . . . . . . . 90.4 t -132.06 121.84 47.52 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.949 0 C-N-CA 124.967 1.307 . . . . 0.0 108.301 169.982 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 3' ' ' ASN . . . . . . . . . . . . . 8.6 m120 -61.84 113.97 3.07 Favored 'General case' 0 CA--C 1.537 0.459 0 C-N-CA 123.967 0.907 . . . . 0.0 110.026 172.486 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 4' ' ' GLN . . . . . . . . . . . . . 12.5 pt20 -156.91 178.74 10.01 Favored 'General case' 0 CA--C 1.532 0.287 0 C-N-CA 123.782 0.833 . . . . 0.0 111.185 -172.492 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 5' ' ' HIS . . . . . . . . . . . . . 74.3 m80 -82.99 124.93 30.86 Favored 'General case' 0 CA--C 1.544 0.715 0 C-N-CA 123.954 0.902 . . . . 0.0 110.184 167.48 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 97.0 mt -125.16 124.37 41.64 Favored 'General case' 0 N--CA 1.466 0.364 0 C-N-CA 125.453 1.501 . . . . 0.0 110.185 -177.285 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 7' ' ' CYS . . . . . . . . . . . . . 65.2 m -139.28 150.47 45.49 Favored 'General case' 0 N--CA 1.469 0.508 0 C-N-CA 125.467 1.507 . . . . 0.0 110.307 -175.958 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 8' ' ' GLY . . . . . . . . . . . . . . . 57.93 -130.85 51.61 Favored Glycine 0 N--CA 1.471 0.981 0 C-N-CA 123.682 0.658 . . . . 0.0 112.402 174.478 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 9' ' ' SER . . . . . . . . . . . . . 22.5 m -54.05 -42.85 69.69 Favored 'General case' 0 N--CA 1.47 0.569 0 C-N-CA 124.148 0.979 . . . . 0.0 112.608 177.294 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 10' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -57.05 -35.91 69.89 Favored 'General case' 0 N--CA 1.475 0.793 0 C-N-CA 123.936 0.895 . . . . 0.0 112.627 -177.866 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 19.5 tp -71.6 -31.19 66.65 Favored 'General case' 0 CA--C 1.538 0.51 0 C-N-CA 124.73 1.212 . . . . 0.0 112.47 177.838 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 94.8 t -81.66 -36.81 14.76 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.967 0 C-N-CA 124.722 1.209 . . . . 0.0 109.558 -179.534 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 2.4 mt-10 -52.3 -52.58 52.17 Favored 'General case' 0 N--CA 1.451 -0.424 0 C-N-CA 125.711 1.604 . . . . 0.0 110.628 164.043 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 14' ' ' ALA . . . . . 0.497 ' O ' HG23 ' B' ' 18' ' ' VAL . . . -58.05 -52.22 66.43 Favored 'General case' 0 N--CA 1.451 -0.415 0 CA-C-O 117.968 -1.015 . . . . 0.0 111.451 179.597 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 3.7 mm? -54.39 -38.57 66.34 Favored 'General case' 0 N--CA 1.471 0.602 0 CA-C-N 119.54 1.064 . . . . 0.0 112.413 177.249 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 16' ' ' TYR . . . . . . . . . . . . . 79.3 t80 -63.37 -46.37 86.8 Favored 'General case' 0 CA--C 1.539 0.529 0 CA-C-N 119.09 0.859 . . . . 0.0 112.168 171.525 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 27.1 mt -64.53 -43.93 92.45 Favored 'General case' 0 CA--C 1.537 0.467 0 C-N-CA 124.514 1.126 . . . . 0.0 112.517 -178.012 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 18' ' ' VAL . . . . . 0.497 HG23 ' O ' ' B' ' 14' ' ' ALA . 0.0 OUTLIER -80.98 -43.34 20.66 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.202 0 CA-C-N 118.541 0.61 . . . . 0.0 112.157 -178.24 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' B' B ' 19' ' ' CYS . . . . . . . . . . . . . 24.2 t -102.34 -42.54 5.96 Favored 'General case' 0 CA--C 1.54 0.59 0 N-CA-C 113.733 1.012 . . . . 0.0 113.733 -170.224 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.474 1.22 0 C-N-CA 124.144 0.878 . . . . 0.0 113.969 -167.339 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 7.9 tp . . . . . 0 N--CA 1.482 1.17 0 N-CA-C 113.964 1.098 . . . . 0.0 113.964 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 60.3 t -63.67 -32.34 56.5 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.987 0 C-N-CA 124.098 0.959 . . . . 0.0 111.118 176.792 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 40.2 mt-10 -81.24 5.79 16.04 Favored 'General case' 0 CA--C 1.546 0.803 0 C-N-CA 125.218 1.407 . . . . 0.0 112.368 175.42 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 18.9 mm-40 -110.94 -63.84 1.35 Allowed 'General case' 0 CA--C 1.534 0.354 0 C-N-CA 124.368 1.067 . . . . 0.0 110.224 164.212 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 86.9 m -83.65 -30.65 26.68 Favored 'General case' 0 N--CA 1.469 0.491 0 N-CA-C 115.394 1.627 . . . . 0.0 115.394 -167.93 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 25.4 t -83.76 -26.4 29.7 Favored 'General case' 0 N--CA 1.475 0.796 0 CA-C-N 119.577 1.08 . . . . 0.0 113.012 -179.336 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 8.4 t -85.08 -34.94 22.13 Favored 'General case' 0 N--CA 1.473 0.722 0 C-N-CA 124.661 1.184 . . . . 0.0 112.905 177.363 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 60.7 m -145.8 172.52 13.19 Favored 'General case' 0 CA--C 1.544 0.741 0 C-N-CA 124.898 1.279 . . . . 0.0 112.426 -172.493 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 21.9 mm -61.52 124.57 16.25 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.837 0 O-C-N 120.85 -1.156 . . . . 0.0 108.732 166.222 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 23.7 p -110.94 147.02 35.56 Favored 'General case' 0 N--CA 1.469 0.497 0 C-N-CA 123.392 0.677 . . . . 0.0 112.044 171.953 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 50.8 m -95.32 151.03 19.61 Favored 'General case' 0 N--CA 1.469 0.509 0 C-N-CA 123.878 0.871 . . . . 0.0 112.166 175.844 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 13' ' ' LEU . . . . . 0.588 ' H ' HD23 ' A' ' 13' ' ' LEU . 1.5 pt? -56.22 -43.04 78.17 Favored 'General case' 0 N--CA 1.462 0.156 0 C-N-CA 124.203 1.001 . . . . 0.0 111.754 -176.727 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 18.1 p90 -65.96 -15.1 62.69 Favored 'General case' 0 CA--C 1.538 0.482 0 N-CA-C 114.785 1.402 . . . . 0.0 114.785 -176.01 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 3.7 pt20 -112.17 -30.22 7.3 Favored 'General case' 0 N--CA 1.468 0.446 0 C-N-CA 123.741 0.816 . . . . 0.0 110.501 -178.953 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 16' ' ' LEU . . . . . 0.507 HD11 HG21 ' B' ' 18' ' ' VAL . 0.1 OUTLIER -68.21 -36.49 79.62 Favored 'General case' 0 CA--C 1.55 0.971 0 C-N-CA 123.77 0.828 . . . . 0.0 110.79 171.285 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 12.2 mt-10 -49.07 -36.69 19.04 Favored 'General case' 0 N--CA 1.479 0.999 0 C-N-CA 126.569 1.948 . . . . 0.0 112.596 173.504 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 5.0 m-80 -64.83 -19.43 65.85 Favored 'General case' 0 CA--C 1.543 0.678 0 N-CA-C 112.946 0.721 . . . . 0.0 112.946 -176.341 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 93.5 m-85 -87.21 -2.5 58.67 Favored 'General case' 0 CA--C 1.546 0.795 0 C-N-CA 125.117 1.367 . . . . 0.0 113.506 177.129 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 17.2 t -73.13 -26.85 61.38 Favored 'General case' 0 CA--C 1.544 0.726 0 C-N-CA 123.567 0.747 . . . . 0.0 112.703 168.869 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--O 1.251 1.155 0 C-N-CA 125.571 1.548 . . . . 0.0 112.424 178.429 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 1' ' ' PHE . . . . . . . . . . . . . 75.1 t80 . . . . . 0 N--CA 1.485 1.32 0 CA-C-O 119.787 -0.149 . . . . 0.0 110.793 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' B' B ' 2' ' ' VAL . . . . . . . . . . . . . 94.8 t -129.81 120.91 51.17 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.0 0 C-N-CA 125.115 1.366 . . . . 0.0 108.502 172.345 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 3' ' ' ASN . . . . . . . . . . . . . 55.8 m-20 -60.17 117.05 4.67 Favored 'General case' 0 CA--C 1.535 0.404 0 C-N-CA 123.477 0.711 . . . . 0.0 110.287 171.727 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 4' ' ' GLN . . . . . . . . . . . . . 10.5 pt20 -158.7 -177.72 6.73 Favored 'General case' 0 CA--C 1.533 0.324 0 C-N-CA 123.957 0.903 . . . . 0.0 110.847 -174.949 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 5' ' ' HIS . . . . . . . . . . . . . 79.7 m80 -83.14 124.25 30.31 Favored 'General case' 0 CA--C 1.544 0.745 0 C-N-CA 124.004 0.922 . . . . 0.0 110.685 171.443 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 6' ' ' LEU . . . . . 0.511 HD13 ' HB2' ' B' ' 14' ' ' ALA . 77.6 mt -135.47 128.98 32.46 Favored 'General case' 0 N--CA 1.472 0.633 0 C-N-CA 125.275 1.43 . . . . 0.0 110.854 -173.106 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 7' ' ' CYS . . . . . . . . . . . . . 61.2 m -140.72 153.17 45.81 Favored 'General case' 0 N--CA 1.471 0.603 0 C-N-CA 125.903 1.681 . . . . 0.0 110.207 -176.372 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 8' ' ' GLY . . . . . . . . . . . . . . . 57.81 -131.54 52.1 Favored Glycine 0 N--CA 1.473 1.1 0 C-N-CA 123.745 0.688 . . . . 0.0 112.918 172.028 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 9' ' ' SER . . . . . . . . . . . . . 20.4 m -54.42 -42.52 70.6 Favored 'General case' 0 N--CA 1.472 0.642 0 C-N-CA 124.077 0.951 . . . . 0.0 112.376 176.986 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 10' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -57.75 -30.55 65.7 Favored 'General case' 0 N--CA 1.474 0.74 0 C-N-CA 123.931 0.892 . . . . 0.0 112.825 179.063 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 17.2 tp -79.5 -26.7 41.52 Favored 'General case' 0 CA--C 1.542 0.661 0 C-N-CA 124.678 1.191 . . . . 0.0 112.967 177.692 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 92.7 t -80.99 -34.01 13.47 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.199 0 C-N-CA 124.822 1.249 . . . . 0.0 109.813 176.158 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 2.4 mt-10 -52.5 -51.82 57.57 Favored 'General case' 0 N--CA 1.45 -0.455 0 C-N-CA 124.961 1.305 . . . . 0.0 110.584 158.998 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 14' ' ' ALA . . . . . 0.541 ' O ' HG22 ' B' ' 18' ' ' VAL . . . -53.63 -54.91 31.04 Favored 'General case' 0 CA--C 1.532 0.268 0 C-N-CA 123.581 0.752 . . . . 0.0 111.792 -178.974 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 4.1 mm? -55.86 -35.22 66.22 Favored 'General case' 0 N--CA 1.471 0.589 0 C-N-CA 123.462 0.705 . . . . 0.0 112.413 177.677 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 16' ' ' TYR . . . . . . . . . . . . . 84.9 t80 -65.55 -46.77 78.26 Favored 'General case' 0 CA--C 1.54 0.589 0 CA-C-N 119.272 0.942 . . . . 0.0 112.111 170.082 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 28.7 mt -64.34 -40.8 96.6 Favored 'General case' 0 N--CA 1.469 0.478 0 C-N-CA 124.028 0.931 . . . . 0.0 112.632 -175.389 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 18' ' ' VAL . . . . . 0.541 HG22 ' O ' ' B' ' 14' ' ' ALA . 0.0 OUTLIER -76.16 -51.14 20.66 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.037 0 C-N-CA 123.414 0.686 . . . . 0.0 112.789 172.942 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' B' B ' 19' ' ' CYS . . . . . . . . . . . . . 9.5 t -112.26 -33.6 6.17 Favored 'General case' 0 N--CA 1.475 0.782 0 N-CA-C 114.979 1.474 . . . . 0.0 114.979 -163.765 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.477 1.399 0 O-C-N 121.418 -0.801 . . . . 0.0 113.719 -172.359 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 7.8 tp . . . . . 0 N--CA 1.482 1.159 0 N-CA-C 113.845 1.054 . . . . 0.0 113.845 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 93.5 t -62.6 -33.88 62.09 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.983 0 C-N-CA 123.691 0.796 . . . . 0.0 111.175 176.885 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 41.0 mt-10 -79.01 -8.56 59.04 Favored 'General case' 0 CA--C 1.542 0.661 0 C-N-CA 124.035 0.934 . . . . 0.0 112.589 177.0 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 29.6 mm100 -91.94 -50.62 5.62 Favored 'General case' 0 CA--C 1.535 0.372 0 O-C-N 121.532 -0.73 . . . . 0.0 110.813 168.04 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 98.9 m -99.78 -28.32 13.21 Favored 'General case' 0 N--CA 1.472 0.673 0 N-CA-C 116.381 1.993 . . . . 0.0 116.381 -166.264 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 49.7 t -83.85 -40.65 18.4 Favored 'General case' 0 N--CA 1.477 0.917 0 N-CA-C 113.934 1.087 . . . . 0.0 113.934 -177.994 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 6.6 t -74.79 -31.56 61.77 Favored 'General case' 0 N--CA 1.478 0.972 0 C-N-CA 124.554 1.141 . . . . 0.0 112.941 -177.89 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 74.7 m -156.19 172.65 18.08 Favored 'General case' 0 N--CA 1.469 0.485 0 C-N-CA 128.019 2.528 . . . . 0.0 109.15 -173.611 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 31.4 mt -75.85 125.63 35.72 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.455 0 O-C-N 121.198 -0.939 . . . . 0.0 111.121 -179.691 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 28.9 p -98.11 169.8 9.36 Favored 'General case' 0 CA--C 1.537 0.467 0 C-N-CA 124.587 1.155 . . . . 0.0 112.164 171.813 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 72.3 m -127.66 151.95 48.31 Favored 'General case' 0 C--O 1.236 0.358 0 C-N-CA 124.586 1.154 . . . . 0.0 111.68 -178.598 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 13' ' ' LEU . . . . . 0.558 ' H ' HD23 ' A' ' 13' ' ' LEU . 1.4 pt? -53.92 -42.73 69.09 Favored 'General case' 0 N--CA 1.463 0.196 0 C-N-CA 124.57 1.148 . . . . 0.0 111.915 -172.733 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 21.4 p90 -65.97 -14.47 61.65 Favored 'General case' 0 CA--C 1.537 0.45 0 N-CA-C 114.769 1.396 . . . . 0.0 114.769 -175.017 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 6.8 pt20 -117.27 -30.83 5.49 Favored 'General case' 0 N--CA 1.466 0.328 0 C-N-CA 123.365 0.666 . . . . 0.0 110.978 -178.986 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 16' ' ' LEU . . . . . 0.445 HD11 HG21 ' B' ' 18' ' ' VAL . 0.2 OUTLIER -69.75 -34.95 74.51 Favored 'General case' 0 CA--C 1.549 0.915 0 C-N-CA 123.687 0.795 . . . . 0.0 111.07 176.826 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 15.2 mt-10 -48.78 -36.86 17.53 Favored 'General case' 0 N--CA 1.48 1.032 0 C-N-CA 126.048 1.739 . . . . 0.0 112.222 170.289 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 1.7 t-20 -58.73 -27.98 65.41 Favored 'General case' 0 CA--C 1.542 0.656 0 C-N-CA 124.387 1.075 . . . . 0.0 113.072 -176.312 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 88.9 m-85 -85.07 -3.37 58.77 Favored 'General case' 0 CA--C 1.543 0.707 0 C-N-CA 125.798 1.639 . . . . 0.0 113.608 -179.48 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 14.8 t -72.84 -26.83 61.61 Favored 'General case' 0 CA--C 1.545 0.779 0 C-N-CA 123.622 0.769 . . . . 0.0 112.755 171.455 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 24.5 t-20 . . . . . 0 C--O 1.253 1.247 0 C-N-CA 125.643 1.577 . . . . 0.0 113.017 178.503 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' B' B ' 1' ' ' PHE . . . . . . . . . . . . . 67.1 t80 . . . . . 0 N--CA 1.487 1.415 0 CA-C-O 119.561 -0.257 . . . . 0.0 110.832 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' B' B ' 2' ' ' VAL . . . . . . . . . . . . . 71.7 t -125.14 118.89 54.21 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.929 0 C-N-CA 124.907 1.283 . . . . 0.0 108.647 173.211 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 3' ' ' ASN . . . . . . . . . . . . . 9.4 m120 -70.18 105.11 2.82 Favored 'General case' 0 CA--C 1.542 0.664 0 C-N-CA 123.624 0.77 . . . . 0.0 110.188 173.149 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 4' ' ' GLN . . . . . . . . . . . . . 28.4 pt20 -160.79 -177.81 6.41 Favored 'General case' 0 CA--C 1.538 0.5 0 C-N-CA 125.985 1.714 . . . . 0.0 110.406 -179.189 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 5' ' ' HIS . . . . . . . . . . . . . 69.6 m-70 -84.46 124.8 31.75 Favored 'General case' 0 CA--C 1.544 0.718 0 C-N-CA 124.033 0.933 . . . . 0.0 110.853 179.476 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 6' ' ' LEU . . . . . 0.482 HD13 ' HB2' ' B' ' 14' ' ' ALA . 72.5 mt -136.99 134.35 36.55 Favored 'General case' 0 N--CA 1.473 0.707 0 C-N-CA 125.739 1.616 . . . . 0.0 109.645 -173.596 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 7' ' ' CYS . . . . . . . . . . . . . 3.0 t -140.16 -50.66 0.48 Allowed 'General case' 0 N--CA 1.48 1.039 0 N-CA-C 116.55 2.056 . . . . 0.0 116.55 -167.626 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 8' ' ' GLY . . . . . . . . . . . . . . . -103.42 -123.59 5.3 Favored Glycine 0 CA--C 1.526 0.747 0 C-N-CA 124.045 0.831 . . . . 0.0 111.791 -173.595 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 9' ' ' SER . . . . . . . . . . . . . 21.5 t -52.5 -39.01 60.79 Favored 'General case' 0 N--CA 1.476 0.855 0 CA-C-N 117.758 0.779 . . . . 0.0 111.345 169.562 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 10' ' ' HIS . . . . . . . . . . . . . 9.3 m-70 -50.22 -31.97 15.29 Favored 'General case' 0 CA--C 1.545 0.774 0 C-N-CA 125.228 1.411 . . . . 0.0 114.728 173.358 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 18.1 tp -83.97 -24.18 30.74 Favored 'General case' 0 CA--C 1.541 0.615 0 C-N-CA 124.498 1.119 . . . . 0.0 113.007 178.479 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 98.6 t -80.86 -35.97 15.06 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.034 0 C-N-CA 125.018 1.327 . . . . 0.0 109.405 175.066 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 2.4 mm-40 -52.78 -49.55 65.35 Favored 'General case' 0 N--CA 1.45 -0.464 0 C-N-CA 125.766 1.627 . . . . 0.0 110.61 159.707 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 14' ' ' ALA . . . . . 0.503 ' O ' HG22 ' B' ' 18' ' ' VAL . . . -52.55 -56.57 14.32 Favored 'General case' 0 CA--C 1.534 0.338 0 CA-C-N 119.353 0.979 . . . . 0.0 111.075 178.591 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 4.0 mm? -55.12 -35.08 64.3 Favored 'General case' 0 N--CA 1.471 0.578 0 C-N-CA 123.619 0.767 . . . . 0.0 112.971 177.946 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 16' ' ' TYR . . . . . . . . . . . . . 88.5 t80 -66.9 -45.57 77.58 Favored 'General case' 0 CA--C 1.541 0.603 0 CA-C-N 119.699 1.136 . . . . 0.0 112.606 171.632 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 41.4 mt -66.11 -36.47 83.24 Favored 'General case' 0 N--CA 1.469 0.502 0 C-N-CA 124.962 1.305 . . . . 0.0 112.569 -176.316 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 18' ' ' VAL . . . . . 0.503 HG22 ' O ' ' B' ' 14' ' ' ALA . 0.0 OUTLIER -82.22 -63.29 1.21 Allowed 'Isoleucine or valine' 0 N--CA 1.478 0.957 0 C-N-CA 123.408 0.683 . . . . 0.0 112.4 170.829 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' B' B ' 19' ' ' CYS . . . . . . . . . . . . . 10.9 t -88.57 -24.83 22.76 Favored 'General case' 0 N--CA 1.471 0.592 0 N-CA-C 113.979 1.103 . . . . 0.0 113.979 -161.835 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.47 0.917 0 C-N-CA 124.441 1.019 . . . . 0.0 111.866 178.508 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 8.3 tp . . . . . 0 N--CA 1.482 1.159 0 N-CA-C 113.809 1.04 . . . . 0.0 113.809 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 77.2 t -62.57 -34.66 66.24 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.047 0 C-N-CA 123.908 0.883 . . . . 0.0 110.874 177.33 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 42.2 mt-10 -77.66 -1.03 28.96 Favored 'General case' 0 CA--C 1.544 0.746 0 C-N-CA 124.66 1.184 . . . . 0.0 112.592 176.66 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 13.7 mm-40 -109.22 -43.74 4.09 Favored 'General case' 0 CA--C 1.534 0.331 0 O-C-N 121.058 -1.027 . . . . 0.0 112.462 170.235 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 92.5 m -103.6 -26.2 12.89 Favored 'General case' 0 N--CA 1.473 0.707 0 N-CA-C 115.787 1.773 . . . . 0.0 115.787 -169.56 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 43.4 t -86.69 -32.25 20.59 Favored 'General case' 0 N--CA 1.479 0.979 0 N-CA-C 113.476 0.917 . . . . 0.0 113.476 179.275 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 6.0 t -74.86 -33.03 62.04 Favored 'General case' 0 N--CA 1.476 0.869 0 C-N-CA 124.824 1.25 . . . . 0.0 112.842 178.501 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 85.4 p -168.27 178.59 4.87 Favored 'General case' 0 CA--C 1.538 0.482 0 C-N-CA 127.048 2.139 . . . . 0.0 110.379 -172.737 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 12.0 mt -76.37 125.94 36.58 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.455 0 O-C-N 121.055 -1.028 . . . . 0.0 111.965 -173.733 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 29.8 p -104.89 152.73 22.29 Favored 'General case' 0 CA--C 1.538 0.502 0 C-N-CA 125.205 1.402 . . . . 0.0 111.522 171.678 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 50.9 m -96.04 151.38 19.5 Favored 'General case' 0 N--CA 1.472 0.648 0 C-N-CA 123.704 0.801 . . . . 0.0 112.277 175.69 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 13' ' ' LEU . . . . . 0.564 ' H ' HD23 ' A' ' 13' ' ' LEU . 1.7 pt? -57.08 -41.33 78.65 Favored 'General case' 0 N--CA 1.465 0.321 0 C-N-CA 123.749 0.82 . . . . 0.0 111.874 -176.841 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 15.1 p90 -67.28 -11.32 57.22 Favored 'General case' 0 CA--C 1.536 0.424 0 N-CA-C 114.893 1.442 . . . . 0.0 114.893 -176.291 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 3.8 pt20 -117.0 -31.95 5.22 Favored 'General case' 0 N--CA 1.464 0.249 0 C-N-CA 123.94 0.896 . . . . 0.0 110.555 179.473 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 16' ' ' LEU . . . . . 0.534 HD11 HG21 ' B' ' 18' ' ' VAL . 0.2 OUTLIER -65.92 -34.0 77.11 Favored 'General case' 0 CA--C 1.548 0.87 0 CA-C-N 119.472 1.033 . . . . 0.0 110.93 173.37 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 13.6 mt-10 -46.4 -36.63 6.67 Favored 'General case' 0 N--CA 1.477 0.891 0 C-N-CA 126.271 1.828 . . . . 0.0 112.705 171.138 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 91.9 m-20 -62.75 -25.4 68.18 Favored 'General case' 0 CA--C 1.541 0.623 0 C-N-CA 124.365 1.066 . . . . 0.0 112.814 -174.951 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 83.4 m-85 -86.52 -3.56 59.04 Favored 'General case' 0 CA--C 1.542 0.673 0 C-N-CA 125.905 1.682 . . . . 0.0 113.369 -177.543 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 22.8 t -72.01 -27.17 62.55 Favored 'General case' 0 CA--C 1.545 0.765 0 C-N-CA 123.686 0.794 . . . . 0.0 112.698 169.318 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--O 1.252 1.218 0 C-N-CA 125.551 1.541 . . . . 0.0 112.435 178.617 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 1' ' ' PHE . . . . . . . . . . . . . 49.1 t80 . . . . . 0 N--CA 1.486 1.361 0 CA-C-O 119.586 -0.245 . . . . 0.0 110.633 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' B' B ' 2' ' ' VAL . . . . . . . . . . . . . 21.8 m -131.62 134.06 60.9 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.96 0 C-N-CA 124.244 1.018 . . . . 0.0 109.575 164.451 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 3' ' ' ASN . . . . . . . . . . . . . 73.1 m-20 -64.28 125.3 24.13 Favored 'General case' 0 CA--C 1.538 0.505 0 N-CA-C 109.424 -0.584 . . . . 0.0 109.424 169.439 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 4' ' ' GLN . . . . . . . . . . . . . 24.6 pt20 -161.31 -179.25 7.26 Favored 'General case' 0 CA--C 1.535 0.39 0 C-N-CA 125.036 1.334 . . . . 0.0 110.247 -170.36 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 5' ' ' HIS . . . . . . . . . . . . . 83.5 m-70 -85.1 129.88 34.72 Favored 'General case' 0 CA--C 1.541 0.632 0 C-N-CA 123.821 0.849 . . . . 0.0 110.697 172.864 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 75.6 mt -138.62 130.94 28.63 Favored 'General case' 0 N--CA 1.47 0.564 0 C-N-CA 124.577 1.151 . . . . 0.0 111.188 -171.428 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 7' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -153.46 146.76 24.78 Favored 'General case' 0 N--CA 1.468 0.46 0 C-N-CA 123.588 0.755 . . . . 0.0 111.231 179.517 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 8' ' ' GLY . . . . . . . . . . . . . . . 57.37 -124.45 35.96 Favored Glycine 0 CA--C 1.532 1.102 0 C-N-CA 124.056 0.836 . . . . 0.0 112.704 179.233 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 9' ' ' SER . . . . . . . . . . . . . 8.8 t -55.84 -38.93 70.72 Favored 'General case' 0 N--CA 1.472 0.648 0 C-N-CA 123.899 0.88 . . . . 0.0 112.621 178.57 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 10' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -63.03 -35.22 79.49 Favored 'General case' 0 N--CA 1.473 0.692 0 O-C-N 120.763 -1.21 . . . . 0.0 112.483 175.991 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 15.6 tp -74.19 -41.0 62.13 Favored 'General case' 0 CA--C 1.538 0.487 0 C-N-CA 124.042 0.937 . . . . 0.0 111.159 178.41 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 95.0 t -60.11 -41.82 87.85 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.166 0 C-N-CA 124.025 0.93 . . . . 0.0 111.345 170.215 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 22.2 mt-10 -58.94 -49.61 77.19 Favored 'General case' 0 CA--C 1.533 0.299 0 C-N-CA 123.252 0.621 . . . . 0.0 111.511 171.698 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 14' ' ' ALA . . . . . 0.554 ' O ' HG22 ' B' ' 18' ' ' VAL . . . -58.39 -46.76 85.74 Favored 'General case' 0 CA--C 1.534 0.333 0 CA-C-N 119.822 1.192 . . . . 0.0 112.527 178.051 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 3.9 mm? -56.43 -34.48 66.84 Favored 'General case' 0 N--CA 1.471 0.613 0 C-N-CA 123.598 0.759 . . . . 0.0 112.142 175.827 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 16' ' ' TYR . . . . . . . . . . . . . 79.0 t80 -65.27 -46.01 82.21 Favored 'General case' 0 CA--C 1.539 0.544 0 O-C-N 121.309 -0.87 . . . . 0.0 112.162 169.373 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 82.1 mt -62.93 -45.76 90.97 Favored 'General case' 0 N--CA 1.471 0.575 0 CA-C-N 119.237 0.926 . . . . 0.0 112.574 -179.259 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 18' ' ' VAL . . . . . 0.554 HG22 ' O ' ' B' ' 14' ' ' ALA . 0.0 OUTLIER -73.33 -44.71 54.45 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.952 0 N-CA-C 112.815 0.672 . . . . 0.0 112.815 178.028 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' B' B ' 19' ' ' CYS . . . . . . . . . . . . . 11.3 t -122.43 -26.85 4.53 Favored 'General case' 0 N--CA 1.477 0.882 0 N-CA-C 115.567 1.691 . . . . 0.0 115.567 -165.125 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.475 1.263 0 O-C-N 121.342 -0.849 . . . . 0.0 113.19 -176.632 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 6.4 tp . . . . . 0 N--CA 1.485 1.275 0 N-CA-C 114.103 1.149 . . . . 0.0 114.103 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 92.7 t -62.69 -34.76 67.2 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.963 0 O-C-N 121.469 -0.769 . . . . 0.0 111.083 176.82 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 33.8 mm-40 -79.58 0.24 30.78 Favored 'General case' 0 CA--C 1.545 0.766 0 C-N-CA 123.855 0.862 . . . . 0.0 112.953 176.347 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 7.1 tp-100 -100.73 -55.17 2.65 Favored 'General case' 0 CA--C 1.538 0.509 0 C-N-CA 124.479 1.111 . . . . 0.0 109.89 168.289 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 58.6 m -92.46 -32.01 15.06 Favored 'General case' 0 N--CA 1.469 0.503 0 N-CA-C 115.86 1.8 . . . . 0.0 115.86 -168.435 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 17.8 t -76.46 -29.61 57.0 Favored 'General case' 0 N--CA 1.477 0.908 0 CA-C-N 119.472 1.033 . . . . 0.0 113.104 -179.137 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 7.3 t -87.22 -30.3 21.07 Favored 'General case' 0 N--CA 1.475 0.816 0 C-N-CA 125.151 1.38 . . . . 0.0 113.498 -177.331 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 72.1 m -150.37 170.31 19.34 Favored 'General case' 0 N--CA 1.473 0.697 0 C-N-CA 125.067 1.347 . . . . 0.0 112.057 -170.853 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 25.7 mm -55.96 129.05 17.05 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.836 0 O-C-N 121.332 -0.855 . . . . 0.0 109.762 169.138 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 15.9 p -124.25 152.51 42.9 Favored 'General case' 0 CA--C 1.536 0.436 0 CA-C-O 121.702 0.763 . . . . 0.0 112.316 168.099 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 26.4 m -116.81 153.14 32.98 Favored 'General case' 0 N--CA 1.47 0.548 0 C-N-CA 124.694 1.198 . . . . 0.0 112.2 -175.976 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 13' ' ' LEU . . . . . 0.508 ' H ' HD23 ' A' ' 13' ' ' LEU . 1.9 pt? -57.65 -40.88 80.32 Favored 'General case' 0 CA--C 1.53 0.193 0 O-C-N 121.449 -0.782 . . . . 0.0 111.898 -173.276 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 21.0 p90 -68.2 -12.86 61.68 Favored 'General case' 0 CA--C 1.536 0.435 0 C-N-CA 125.092 1.357 . . . . 0.0 114.35 -174.234 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 3.9 pt20 -116.77 -24.63 7.62 Favored 'General case' 0 C--O 1.222 -0.344 0 C-N-CA 124.445 1.098 . . . . 0.0 111.175 178.949 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 16' ' ' LEU . . . . . 0.463 HD11 HG21 ' B' ' 18' ' ' VAL . 0.2 OUTLIER -77.48 -26.8 51.63 Favored 'General case' 0 CA--C 1.547 0.863 0 CA-C-N 119.439 1.018 . . . . 0.0 111.613 174.473 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 22.0 mt-10 -52.76 -28.43 22.25 Favored 'General case' 0 N--CA 1.48 1.044 0 C-N-CA 124.493 1.117 . . . . 0.0 112.361 166.886 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 76.6 m-20 -61.7 -27.06 68.44 Favored 'General case' 0 CA--C 1.541 0.626 0 C-N-CA 123.215 0.606 . . . . 0.0 112.168 -177.166 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 67.8 m-85 -85.98 1.68 49.21 Favored 'General case' 0 CA--C 1.548 0.866 0 C-N-CA 126.625 1.97 . . . . 0.0 112.91 -179.674 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 18.8 t -68.97 -24.61 64.26 Favored 'General case' 0 CA--C 1.546 0.791 0 C-N-CA 125.366 1.466 . . . . 0.0 112.955 169.317 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 68.3 m-80 . . . . . 0 C--O 1.252 1.202 0 C-N-CA 125.744 1.618 . . . . 0.0 112.822 178.061 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' B' B ' 1' ' ' PHE . . . . . . . . . . . . . 42.1 t80 . . . . . 0 N--CA 1.487 1.382 0 CA-C-O 119.775 -0.155 . . . . 0.0 110.61 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' B' B ' 2' ' ' VAL . . . . . . . . . . . . . 89.8 t -130.14 124.23 57.68 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.043 0 C-N-CA 124.958 1.303 . . . . 0.0 108.459 171.306 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 3' ' ' ASN . . . . . . . . . . . . . 70.9 m-20 -69.33 118.29 12.03 Favored 'General case' 0 CA--C 1.535 0.399 0 C-N-CA 123.352 0.661 . . . . 0.0 109.522 175.995 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 4' ' ' GLN . . . . . . . . . . . . . 14.4 pt20 -159.89 178.82 9.36 Favored 'General case' 0 CA--C 1.535 0.371 0 C-N-CA 123.31 0.644 . . . . 0.0 111.658 -165.861 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 5' ' ' HIS . . . . . . . . . . . . . 66.6 m-70 -80.06 125.98 30.47 Favored 'General case' 0 CA--C 1.544 0.742 0 C-N-CA 123.822 0.849 . . . . 0.0 109.811 167.141 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 96.0 mt -128.28 132.26 48.71 Favored 'General case' 0 N--CA 1.471 0.588 0 C-N-CA 124.595 1.158 . . . . 0.0 110.561 -178.505 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 7' ' ' CYS . . . . . . . . . . . . . 2.4 t -160.87 154.17 21.73 Favored 'General case' 0 N--CA 1.468 0.464 0 C-N-CA 124.237 1.015 . . . . 0.0 111.428 -177.263 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 8' ' ' GLY . . . . . . . . . . . . . . . 62.88 -137.83 44.14 Favored Glycine 0 CA--C 1.528 0.892 0 N-CA-C 111.22 -0.752 . . . . 0.0 111.22 -174.156 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 9' ' ' SER . . . . . . . . . . . . . 22.2 m -54.41 -40.95 68.76 Favored 'General case' 0 N--CA 1.472 0.626 0 C-N-CA 124.143 0.977 . . . . 0.0 112.763 177.946 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 10' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -55.23 -37.43 67.15 Favored 'General case' 0 N--CA 1.474 0.736 0 C-N-CA 124.23 1.012 . . . . 0.0 113.039 -178.168 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 18.6 tp -70.47 -33.08 70.85 Favored 'General case' 0 CA--C 1.537 0.451 0 C-N-CA 124.612 1.165 . . . . 0.0 112.209 176.863 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 87.3 t -80.67 -35.82 15.25 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.831 0 C-N-CA 124.355 1.062 . . . . 0.0 109.398 -176.782 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 2.4 mt-10 -53.29 -54.69 32.63 Favored 'General case' 0 N--CA 1.451 -0.394 0 C-N-CA 125.617 1.567 . . . . 0.0 110.576 163.553 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -58.26 -50.43 73.59 Favored 'General case' 0 N--CA 1.454 -0.268 0 CA-C-O 118.503 -0.76 . . . . 0.0 111.642 -179.793 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 4.1 mm? -58.04 -36.82 73.28 Favored 'General case' 0 N--CA 1.466 0.374 0 CA-C-N 119.442 1.019 . . . . 0.0 111.97 176.807 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 16' ' ' TYR . . . . . . . . . . . . . 86.9 t80 -62.28 -41.08 98.18 Favored 'General case' 0 N--CA 1.469 0.521 0 CA-C-N 120.636 1.562 . . . . 0.0 112.304 170.804 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 19.3 mt -71.17 -41.0 70.92 Favored 'General case' 0 CA--C 1.54 0.576 0 C-N-CA 124.184 0.993 . . . . 0.0 112.766 -176.788 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 18' ' ' VAL . . . . . 0.463 HG21 HD11 ' A' ' 16' ' ' LEU . 0.0 OUTLIER -91.16 -39.75 11.99 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.473 0 N-CA-C 113.323 0.86 . . . . 0.0 113.323 -179.491 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' B' B ' 19' ' ' CYS . . . . . . . . . . . . . 41.8 t -101.1 -44.79 5.59 Favored 'General case' 0 N--CA 1.472 0.663 0 C-N-CA 123.872 0.869 . . . . 0.0 112.3 -175.919 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.474 1.226 0 CA-C-N 118.625 0.648 . . . . 0.0 113.479 -172.517 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 6.8 tp . . . . . 0 N--CA 1.484 1.244 0 N-CA-C 113.781 1.03 . . . . 0.0 113.781 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 87.2 t -62.23 -32.52 55.04 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.904 0 C-N-CA 123.757 0.823 . . . . 0.0 111.101 178.519 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 36.9 mt-10 -81.58 -1.32 45.96 Favored 'General case' 0 CA--C 1.546 0.806 0 C-N-CA 124.17 0.988 . . . . 0.0 112.752 177.549 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 40.1 tp60 -104.26 -43.79 5.13 Favored 'General case' 0 CA--C 1.537 0.463 0 C-N-CA 124.236 1.014 . . . . 0.0 111.016 170.552 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 69.2 m -100.31 -34.82 9.83 Favored 'General case' 0 N--CA 1.472 0.649 0 N-CA-C 115.893 1.812 . . . . 0.0 115.893 -172.193 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 14.7 t -77.48 -26.27 51.18 Favored 'General case' 0 N--CA 1.48 1.038 0 O-C-N 120.849 -1.157 . . . . 0.0 113.37 -177.703 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 4.8 t -95.92 -19.28 19.66 Favored 'General case' 0 N--CA 1.475 0.804 0 C-N-CA 125.764 1.626 . . . . 0.0 113.716 -178.276 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 22.0 p -158.92 166.3 32.15 Favored 'General case' 0 N--CA 1.473 0.704 0 C-N-CA 124.818 1.247 . . . . 0.0 112.702 -169.958 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 23.6 mm -62.02 121.21 9.93 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.798 0 O-C-N 121.23 -0.919 . . . . 0.0 108.981 170.668 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 29.0 p -108.51 146.75 32.73 Favored 'General case' 0 N--CA 1.468 0.433 0 C-N-CA 123.302 0.641 . . . . 0.0 111.814 171.195 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 50.0 m -96.03 151.24 19.63 Favored 'General case' 0 N--CA 1.471 0.607 0 CA-C-O 121.483 0.658 . . . . 0.0 112.32 177.562 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 13' ' ' LEU . . . . . 0.524 ' H ' HD23 ' A' ' 13' ' ' LEU . 1.7 pt? -59.46 -39.1 82.58 Favored 'General case' 0 N--CA 1.464 0.241 0 O-C-N 121.421 -0.799 . . . . 0.0 112.557 -173.479 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 26.5 p90 -70.64 -13.69 62.18 Favored 'General case' 0 CA--C 1.536 0.432 0 C-N-CA 124.914 1.286 . . . . 0.0 114.11 -174.907 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 3.6 pt20 -113.11 -33.45 6.01 Favored 'General case' 0 N--CA 1.465 0.304 0 C-N-CA 124.048 0.939 . . . . 0.0 110.811 -179.266 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -66.69 -35.86 81.13 Favored 'General case' 0 CA--C 1.538 0.505 0 CA-C-N 119.024 0.829 . . . . 0.0 111.068 177.964 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -76.31 -16.55 59.74 Favored 'General case' 0 CA--C 1.533 0.291 0 N-CA-C 113.022 0.749 . . . . 0.0 113.022 -179.371 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 1.1 t-20 -57.76 -29.88 65.16 Favored 'General case' 0 CA--C 1.544 0.744 0 C-N-CA 124.049 0.939 . . . . 0.0 112.406 171.038 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 95.4 m-85 -77.44 -5.8 51.15 Favored 'General case' 0 CA--C 1.545 0.764 0 C-N-CA 125.83 1.652 . . . . 0.0 113.713 177.35 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 12.4 t -69.89 -24.1 63.35 Favored 'General case' 0 CA--C 1.545 0.759 0 C-N-CA 124.156 0.982 . . . . 0.0 113.123 175.68 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 68.2 m-80 . . . . . 0 C--O 1.254 1.318 0 C-N-CA 125.766 1.626 . . . . 0.0 112.994 179.726 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' B' B ' 1' ' ' PHE . . . . . . . . . . . . . 43.3 t80 . . . . . 0 N--CA 1.487 1.42 0 CA-C-O 119.576 -0.249 . . . . 0.0 110.729 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' B' B ' 2' ' ' VAL . . . . . . . . . . . . . 95.6 t -129.56 117.68 43.05 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.981 0 C-N-CA 124.843 1.257 . . . . 0.0 109.187 173.407 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 3' ' ' ASN . . . . . . . . . . . . . 71.7 m-20 -61.69 124.02 19.55 Favored 'General case' 0 C--O 1.235 0.331 0 C-N-CA 123.088 0.555 . . . . 0.0 110.243 168.53 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 4' ' ' GLN . . . . . . . . . . . . . 10.4 pt20 -160.45 -179.84 8.01 Favored 'General case' 0 CA--C 1.533 0.306 0 C-N-CA 123.78 0.832 . . . . 0.0 110.813 -171.323 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 5' ' ' HIS . . . . . . . . . . . . . 75.8 m80 -81.44 125.99 31.11 Favored 'General case' 0 CA--C 1.542 0.644 0 C-N-CA 123.741 0.816 . . . . 0.0 109.861 168.76 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 78.3 mt -133.97 135.53 43.56 Favored 'General case' 0 N--CA 1.471 0.606 0 C-N-CA 124.818 1.247 . . . . 0.0 110.677 -174.297 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 7' ' ' CYS . . . . . . . . . . . . . 1.7 t -156.94 146.8 20.8 Favored 'General case' 0 N--CA 1.468 0.465 0 C-N-CA 123.757 0.823 . . . . 0.0 111.331 -177.346 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 8' ' ' GLY . . . . . . . . . . . . . . . 58.76 -128.18 47.03 Favored Glycine 0 CA--C 1.531 1.052 0 C-N-CA 124.059 0.837 . . . . 0.0 112.578 -179.903 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 9' ' ' SER . . . . . . . . . . . . . 20.6 m -54.62 -39.29 67.78 Favored 'General case' 0 N--CA 1.471 0.609 0 C-N-CA 124.384 1.074 . . . . 0.0 112.692 178.297 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 10' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -62.62 -36.12 81.74 Favored 'General case' 0 CA--C 1.543 0.678 0 O-C-N 121.228 -0.92 . . . . 0.0 112.518 177.182 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 16.5 tp -72.0 -44.59 63.22 Favored 'General case' 0 CA--C 1.536 0.432 0 C-N-CA 124.563 1.145 . . . . 0.0 110.87 177.724 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 92.8 t -59.66 -43.19 90.71 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.013 0 C-N-CA 124.084 0.953 . . . . 0.0 111.229 173.141 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 24.7 mt-10 -59.17 -47.21 86.15 Favored 'General case' 0 CA--C 1.533 0.319 0 C-N-CA 123.897 0.879 . . . . 0.0 111.968 173.26 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -61.36 -45.5 94.14 Favored 'General case' 0 CA--C 1.534 0.33 0 CA-C-N 119.466 1.03 . . . . 0.0 112.435 178.333 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 3.6 mm? -57.66 -37.52 73.53 Favored 'General case' 0 N--CA 1.469 0.523 0 CA-C-N 118.783 0.719 . . . . 0.0 111.73 175.341 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 16' ' ' TYR . . . . . . . . . . . . . 71.6 t80 -62.47 -45.51 92.7 Favored 'General case' 0 CA--C 1.536 0.424 0 CA-C-N 119.125 0.875 . . . . 0.0 111.656 172.372 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 97.6 mt -62.97 -49.88 72.96 Favored 'General case' 0 CA--C 1.533 0.302 0 CA-C-O 118.746 -0.645 . . . . 0.0 111.908 178.719 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 18' ' ' VAL . . . . . . . . . . . . . 0.1 OUTLIER -80.73 -37.39 16.43 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.089 0 N-CA-C 113.607 0.965 . . . . 0.0 113.607 -174.859 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 19' ' ' CYS . . . . . . . . . . . . . 47.7 t -105.79 -36.43 7.03 Favored 'General case' 0 N--CA 1.471 0.619 0 N-CA-C 113.507 0.929 . . . . 0.0 113.507 -171.405 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.081 0 C-N-CA 124.103 0.859 . . . . 0.0 112.787 -176.254 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 7.4 tp . . . . . 0 N--CA 1.486 1.362 0 N-CA-C 114.474 1.287 . . . . 0.0 114.474 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 70.7 t -57.3 -40.97 77.19 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.849 0 C-N-CA 124.235 1.014 . . . . 0.0 111.373 179.025 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 4.0 pt-20 -77.75 0.71 22.57 Favored 'General case' 0 N--CA 1.474 0.757 0 CA-C-N 119.189 0.904 . . . . 0.0 113.344 -179.824 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 15.7 tp60 -104.95 -52.64 2.81 Favored 'General case' 0 CA--C 1.537 0.477 0 C-N-CA 124.209 1.004 . . . . 0.0 110.998 167.711 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 1.5 t -98.88 -22.87 15.59 Favored 'General case' 0 N--CA 1.473 0.708 0 N-CA-C 115.58 1.696 . . . . 0.0 115.58 -166.682 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 14.6 t -73.92 -26.24 60.41 Favored 'General case' 0 N--CA 1.478 0.939 0 O-C-N 121.008 -1.058 . . . . 0.0 112.768 171.217 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 6.4 t -94.87 -34.11 12.56 Favored 'General case' 0 N--CA 1.473 0.686 0 C-N-CA 125.445 1.498 . . . . 0.0 113.181 -179.021 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 58.6 m -143.28 174.64 10.55 Favored 'General case' 0 CA--C 1.546 0.804 0 C-N-CA 125.231 1.412 . . . . 0.0 112.208 -173.618 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 22.8 mm -59.81 133.91 25.13 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.963 0 O-C-N 120.71 -1.244 . . . . 0.0 109.506 168.829 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 20.1 p -115.17 143.24 45.53 Favored 'General case' 0 N--CA 1.47 0.572 0 CA-C-O 121.697 0.76 . . . . 0.0 112.006 159.469 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 13.3 m -92.85 151.85 19.75 Favored 'General case' 0 N--CA 1.468 0.447 0 C-N-CA 124.133 0.973 . . . . 0.0 111.842 175.23 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 13' ' ' LEU . . . . . 0.578 ' H ' HD23 ' A' ' 13' ' ' LEU . 1.6 pt? -57.15 -42.33 80.83 Favored 'General case' 0 N--CA 1.465 0.277 0 O-C-N 121.407 -0.808 . . . . 0.0 111.815 -174.136 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 22.1 p90 -67.02 -14.25 62.72 Favored 'General case' 0 CA--C 1.537 0.458 0 N-CA-C 114.566 1.321 . . . . 0.0 114.566 -176.068 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 4.0 pt20 -114.39 -29.7 6.8 Favored 'General case' 0 N--CA 1.466 0.364 0 C-N-CA 123.747 0.819 . . . . 0.0 110.683 -179.558 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 16' ' ' LEU . . . . . 0.511 HD11 HG21 ' B' ' 18' ' ' VAL . 0.2 OUTLIER -68.32 -34.29 75.85 Favored 'General case' 0 CA--C 1.549 0.93 0 CA-C-N 119.336 0.971 . . . . 0.0 110.893 173.252 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 16.0 mt-10 -47.75 -38.96 16.55 Favored 'General case' 0 N--CA 1.478 0.926 0 C-N-CA 126.053 1.741 . . . . 0.0 112.586 171.203 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 8.4 m-80 -68.39 -8.53 41.12 Favored 'General case' 0 CA--C 1.545 0.777 0 C-N-CA 124.427 1.091 . . . . 0.0 113.763 -175.021 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 89.3 m-85 -97.72 -4.16 37.71 Favored 'General case' 0 CA--C 1.544 0.723 0 C-N-CA 125.594 1.558 . . . . 0.0 113.85 175.803 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 45.3 t -67.91 -33.18 74.21 Favored 'General case' 0 N--CA 1.474 0.738 0 O-C-N 121.27 -0.894 . . . . 0.0 113.09 178.522 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--O 1.253 1.261 0 C-N-CA 125.883 1.673 . . . . 0.0 113.24 178.002 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 1' ' ' PHE . . . . . . . . . . . . . 53.0 t80 . . . . . 0 N--CA 1.486 1.368 0 N-CA-C 110.757 -0.09 . . . . 0.0 110.757 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' B' B ' 2' ' ' VAL . . . . . . . . . . . . . 11.2 p -144.26 131.5 16.88 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.868 0 C-N-CA 124.871 1.268 . . . . 0.0 109.045 166.486 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 3' ' ' ASN . . . . . . . . . . . . . 70.1 m-20 -61.82 118.86 7.74 Favored 'General case' 0 CA--C 1.534 0.36 0 N-CA-C 109.499 -0.556 . . . . 0.0 109.499 173.595 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 4' ' ' GLN . . . . . . . . . . . . . 25.5 pt20 -155.45 178.4 10.28 Favored 'General case' 0 CA--C 1.533 0.296 0 CA-C-O 121.488 0.661 . . . . 0.0 111.211 -170.299 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 5' ' ' HIS . . . . . . . . . . . . . 77.1 m80 -82.86 131.57 35.19 Favored 'General case' 0 CA--C 1.543 0.709 0 C-N-CA 124.176 0.99 . . . . 0.0 110.065 169.938 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 79.6 mt -140.76 137.61 33.53 Favored 'General case' 0 N--CA 1.471 0.582 0 C-N-CA 124.768 1.227 . . . . 0.0 110.889 -172.603 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 7' ' ' CYS . . . . . . . . . . . . . 2.1 t -155.93 146.72 22.09 Favored 'General case' 0 N--CA 1.469 0.523 0 O-C-N 121.619 -0.676 . . . . 0.0 111.831 179.589 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 8' ' ' GLY . . . . . . . . . . . . . . . 59.62 -127.16 43.95 Favored Glycine 0 N--CA 1.471 0.972 0 C-N-CA 123.986 0.803 . . . . 0.0 112.344 -179.983 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 9' ' ' SER . . . . . . . . . . . . . 20.3 m -53.87 -38.65 64.96 Favored 'General case' 0 N--CA 1.47 0.546 0 C-N-CA 124.595 1.158 . . . . 0.0 112.819 178.111 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 10' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -63.74 -35.3 80.13 Favored 'General case' 0 CA--C 1.543 0.701 0 O-C-N 121.257 -0.902 . . . . 0.0 112.543 177.288 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 14.1 tp -75.13 -41.76 57.73 Favored 'General case' 0 CA--C 1.537 0.46 0 C-N-CA 124.359 1.063 . . . . 0.0 111.029 178.268 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 92.2 t -60.1 -42.94 91.7 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.109 0 C-N-CA 124.044 0.938 . . . . 0.0 111.312 171.155 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 22.2 mt-10 -58.43 -48.37 80.91 Favored 'General case' 0 N--CA 1.465 0.29 0 C-N-CA 123.604 0.762 . . . . 0.0 111.66 171.923 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 14' ' ' ALA . . . . . 0.539 ' O ' HG22 ' B' ' 18' ' ' VAL . . . -58.83 -47.34 85.15 Favored 'General case' 0 CA--C 1.535 0.392 0 CA-C-N 119.582 1.083 . . . . 0.0 112.34 178.512 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 3.9 mm? -56.07 -36.73 68.4 Favored 'General case' 0 N--CA 1.472 0.657 0 C-N-CA 123.551 0.74 . . . . 0.0 112.068 175.85 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 16' ' ' TYR . . . . . . . . . . . . . 85.5 t80 -63.38 -43.11 98.54 Favored 'General case' 0 CA--C 1.539 0.528 0 O-C-N 121.371 -0.83 . . . . 0.0 112.275 171.052 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 83.7 mt -66.02 -50.93 62.5 Favored 'General case' 0 CA--C 1.541 0.603 0 CA-C-N 118.87 0.759 . . . . 0.0 111.961 179.742 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 18' ' ' VAL . . . . . 0.539 HG22 ' O ' ' B' ' 14' ' ' ALA . 0.0 OUTLIER -70.09 -45.27 76.78 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.112 0 N-CA-C 112.576 0.584 . . . . 0.0 112.576 -178.774 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' B' B ' 19' ' ' CYS . . . . . . . . . . . . . 15.9 t -116.58 -33.4 4.89 Favored 'General case' 0 N--CA 1.472 0.635 0 N-CA-C 114.212 1.19 . . . . 0.0 114.212 -166.391 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.474 1.175 0 C-N-CA 123.934 0.778 . . . . 0.0 112.723 -176.282 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 8.4 tp . . . . . 0 N--CA 1.479 1.024 0 N-CA-C 114.551 1.315 . . . . 0.0 114.551 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 77.3 t -70.2 -45.85 74.22 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.073 0 CA-C-N 119.506 1.048 . . . . 0.0 110.448 -175.517 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -81.37 18.79 1.07 Allowed 'General case' 0 CA--C 1.548 0.886 0 N-CA-C 113.042 0.756 . . . . 0.0 113.042 172.315 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 8.1 tp-100 -107.87 -60.5 1.7 Allowed 'General case' 0 CA--C 1.54 0.595 0 C-N-CA 124.437 1.095 . . . . 0.0 109.532 159.175 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 54.3 m -86.37 -31.32 21.56 Favored 'General case' 0 N--CA 1.469 0.52 0 N-CA-C 115.714 1.746 . . . . 0.0 115.714 -169.802 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 36.9 t -82.36 -27.13 32.32 Favored 'General case' 0 N--CA 1.476 0.833 0 CA-C-N 119.775 1.17 . . . . 0.0 113.083 -179.694 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 10.6 t -84.54 -33.46 23.47 Favored 'General case' 0 N--CA 1.476 0.845 0 C-N-CA 124.653 1.181 . . . . 0.0 112.987 178.713 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 60.2 m -146.11 169.24 19.1 Favored 'General case' 0 CA--C 1.544 0.728 0 C-N-CA 125.083 1.353 . . . . 0.0 112.266 -172.985 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 23.5 mm -56.44 131.52 19.98 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.894 0 O-C-N 121.141 -0.975 . . . . 0.0 110.019 171.215 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 14.0 p -129.04 158.07 39.93 Favored 'General case' 0 N--CA 1.469 0.48 0 CA-C-O 121.626 0.727 . . . . 0.0 112.682 168.34 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 23.0 m -119.01 154.14 33.55 Favored 'General case' 0 N--CA 1.47 0.537 0 C-N-CA 124.777 1.231 . . . . 0.0 112.609 -173.744 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 13' ' ' LEU . . . . . 0.506 ' H ' HD23 ' A' ' 13' ' ' LEU . 1.9 pt? -59.25 -40.02 84.67 Favored 'General case' 0 N--CA 1.463 0.218 0 O-C-N 121.42 -0.8 . . . . 0.0 112.18 -173.499 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 19.0 p90 -68.54 -13.41 62.31 Favored 'General case' 0 CA--C 1.535 0.394 0 C-N-CA 125.049 1.339 . . . . 0.0 114.144 -174.035 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 3.8 pt20 -111.43 -38.62 4.9 Favored 'General case' 0 C--O 1.223 -0.336 0 C-N-CA 124.175 0.99 . . . . 0.0 109.428 176.859 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 16' ' ' LEU . . . . . 0.413 HD11 HG21 ' B' ' 18' ' ' VAL . 0.3 OUTLIER -65.21 -27.37 68.63 Favored 'General case' 0 CA--C 1.549 0.907 0 CA-C-N 120.276 1.398 . . . . 0.0 112.679 -178.021 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 30.9 mt-10 -48.43 -37.93 18.43 Favored 'General case' 0 N--CA 1.481 1.082 0 C-N-CA 124.457 1.103 . . . . 0.0 112.444 168.813 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 26.8 m-80 -65.61 -21.22 66.56 Favored 'General case' 0 CA--C 1.542 0.638 0 C-N-CA 124.341 1.056 . . . . 0.0 113.028 -170.237 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 61.0 m-85 -87.82 -9.74 52.97 Favored 'General case' 0 CA--C 1.541 0.632 0 C-N-CA 125.998 1.719 . . . . 0.0 113.296 -178.304 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 16.9 t -70.8 -26.13 63.18 Favored 'General case' 0 CA--C 1.544 0.746 0 C-N-CA 123.896 0.879 . . . . 0.0 113.082 176.906 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 C--O 1.252 1.229 0 C-N-CA 126.172 1.789 . . . . 0.0 111.866 177.026 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 1' ' ' PHE . . . . . . . . . . . . . 41.3 t80 . . . . . 0 N--CA 1.485 1.321 0 N-CA-C 110.244 -0.28 . . . . 0.0 110.244 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' B' B ' 2' ' ' VAL . . . . . . . . . . . . . 86.7 t -129.51 122.56 55.67 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.995 0 C-N-CA 124.738 1.215 . . . . 0.0 108.419 171.585 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 3' ' ' ASN . . . . . . . . . . . . . 68.8 m-20 -67.88 119.7 12.99 Favored 'General case' 0 CA--C 1.536 0.408 0 C-N-CA 123.444 0.698 . . . . 0.0 109.448 175.97 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 4' ' ' GLN . . . . . . . . . . . . . 12.0 pt20 -158.66 179.23 9.3 Favored 'General case' 0 CA--C 1.534 0.351 0 C-N-CA 123.222 0.609 . . . . 0.0 112.104 -165.09 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 5' ' ' HIS . . . . . . . . . . . . . 73.6 m80 -81.64 128.82 34.35 Favored 'General case' 0 CA--C 1.546 0.816 0 C-N-CA 124.098 0.959 . . . . 0.0 110.383 167.635 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 92.4 mt -131.58 126.83 35.79 Favored 'General case' 0 N--CA 1.47 0.553 0 C-N-CA 125.235 1.414 . . . . 0.0 110.77 -176.857 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 7' ' ' CYS . . . . . . . . . . . . . 66.6 m -134.97 144.32 47.34 Favored 'General case' 0 N--CA 1.471 0.592 0 C-N-CA 125.242 1.417 . . . . 0.0 110.431 -179.725 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 8' ' ' GLY . . . . . . . . . . . . . . . 54.79 -122.99 27.5 Favored Glycine 0 N--CA 1.474 1.175 0 C-N-CA 124.057 0.837 . . . . 0.0 113.304 170.157 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 9' ' ' SER . . . . . . . . . . . . . 20.3 m -54.35 -39.95 67.6 Favored 'General case' 0 N--CA 1.47 0.537 0 C-N-CA 124.447 1.099 . . . . 0.0 112.802 178.269 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 10' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -63.47 -38.42 91.07 Favored 'General case' 0 CA--C 1.541 0.613 0 O-C-N 121.261 -0.899 . . . . 0.0 112.242 176.676 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 17.4 tp -70.36 -44.68 67.6 Favored 'General case' 0 CA--C 1.536 0.426 0 C-N-CA 124.282 1.033 . . . . 0.0 110.951 177.655 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 75.7 t -59.92 -44.0 93.45 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.968 0 C-N-CA 124.249 1.02 . . . . 0.0 111.289 173.854 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 21.6 mt-10 -58.99 -45.07 91.52 Favored 'General case' 0 N--CA 1.468 0.451 0 C-N-CA 123.999 0.92 . . . . 0.0 112.169 173.918 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -61.64 -49.25 77.31 Favored 'General case' 0 CA--C 1.533 0.319 0 CA-C-N 118.91 0.777 . . . . 0.0 111.563 176.655 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 3.8 mm? -55.35 -38.77 69.22 Favored 'General case' 0 N--CA 1.469 0.521 0 CA-C-N 118.792 0.724 . . . . 0.0 112.06 176.78 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 16' ' ' TYR . . . . . . . . . . . . . 68.6 t80 -60.53 -45.57 93.38 Favored 'General case' 0 CA--C 1.535 0.366 0 CA-C-N 118.995 0.816 . . . . 0.0 112.089 171.896 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 95.9 mt -65.78 -48.52 71.51 Favored 'General case' 0 CA--C 1.537 0.454 0 CA-C-N 118.955 0.798 . . . . 0.0 112.19 179.445 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 18' ' ' VAL . . . . . 0.413 HG21 HD11 ' A' ' 16' ' ' LEU . 0.0 OUTLIER -79.02 -32.87 15.56 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.374 0 N-CA-C 113.563 0.949 . . . . 0.0 113.563 -175.265 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' B' B ' 19' ' ' CYS . . . . . . . . . . . . . 15.3 t -116.56 -26.77 6.94 Favored 'General case' 0 CA--C 1.543 0.691 0 N-CA-C 115.342 1.608 . . . . 0.0 115.342 -171.86 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.474 1.169 0 C-N-CA 124.358 0.98 . . . . 0.0 111.212 176.428 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 8.5 tp . . . . . 0 N--CA 1.482 1.13 0 N-CA-C 114.188 1.181 . . . . 0.0 114.188 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 84.8 t -65.48 -46.1 90.88 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.159 0 C-N-CA 123.574 0.75 . . . . 0.0 110.664 -175.725 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 17.7 pt-20 -70.86 7.47 1.15 Allowed 'General case' 0 CA--C 1.545 0.752 0 N-CA-C 113.727 1.01 . . . . 0.0 113.727 176.711 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 23.7 mm-40 -114.83 -65.9 1.14 Allowed 'General case' 0 CA--C 1.538 0.484 0 C-N-CA 124.582 1.153 . . . . 0.0 110.208 166.108 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 63.0 m -71.74 -27.94 63.33 Favored 'General case' 0 N--CA 1.473 0.718 0 N-CA-C 115.236 1.569 . . . . 0.0 115.236 -171.642 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 47.2 t -82.26 -32.32 29.68 Favored 'General case' 0 N--CA 1.476 0.855 0 CA-C-N 119.371 0.987 . . . . 0.0 113.444 178.641 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 12.4 t -86.39 -28.51 23.55 Favored 'General case' 0 N--CA 1.477 0.91 0 C-N-CA 124.179 0.992 . . . . 0.0 112.756 179.475 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 90.4 p -151.43 168.23 25.49 Favored 'General case' 0 N--CA 1.468 0.445 0 C-N-CA 124.177 0.991 . . . . 0.0 112.837 -179.791 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 12.9 mt -75.24 121.4 26.79 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.277 0 O-C-N 121.308 -0.87 . . . . 0.0 111.115 -175.662 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 28.6 p -107.35 152.32 24.31 Favored 'General case' 0 CA--C 1.538 0.51 0 C-N-CA 124.984 1.313 . . . . 0.0 111.586 175.632 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 59.3 m -97.91 152.79 18.86 Favored 'General case' 0 N--CA 1.471 0.58 0 C-N-CA 123.955 0.902 . . . . 0.0 112.233 176.877 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 13' ' ' LEU . . . . . 0.509 ' H ' HD23 ' A' ' 13' ' ' LEU . 1.9 pt? -59.25 -39.87 84.19 Favored 'General case' 0 CA--C 1.53 0.191 0 O-C-N 121.457 -0.777 . . . . 0.0 112.373 -174.267 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 22.4 p90 -68.78 -17.43 64.03 Favored 'General case' 0 CA--C 1.535 0.384 0 C-N-CA 124.503 1.121 . . . . 0.0 113.662 -174.596 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 3.8 pt20 -108.44 -24.82 11.26 Favored 'General case' 0 C--O 1.224 -0.288 0 C-N-CA 124.056 0.942 . . . . 0.0 111.135 178.707 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 16' ' ' LEU . . . . . 0.49 HD11 HG21 ' B' ' 18' ' ' VAL . 0.3 OUTLIER -74.4 -28.73 61.22 Favored 'General case' 0 CA--C 1.549 0.908 0 CA-C-N 119.727 1.149 . . . . 0.0 111.986 175.503 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 29.3 mt-10 -54.04 -34.99 61.48 Favored 'General case' 0 N--CA 1.48 1.056 0 CA-C-N 119.086 0.857 . . . . 0.0 111.848 171.212 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 8.3 m-80 -66.36 -8.46 25.57 Favored 'General case' 0 CA--C 1.549 0.905 0 N-CA-C 113.749 1.018 . . . . 0.0 113.749 -176.267 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 71.5 m-85 -98.41 -8.72 26.38 Favored 'General case' 0 CA--C 1.544 0.735 0 C-N-CA 125.863 1.665 . . . . 0.0 113.642 173.718 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 38.5 t -70.08 -31.73 69.47 Favored 'General case' 0 N--CA 1.473 0.708 0 C-N-CA 123.992 0.917 . . . . 0.0 112.938 -179.287 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--O 1.254 1.304 0 C-N-CA 126.083 1.753 . . . . 0.0 113.321 178.038 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 1' ' ' PHE . . . . . . . . . . . . . 71.3 t80 . . . . . 0 N--CA 1.487 1.38 0 CA-C-O 119.832 -0.128 . . . . 0.0 110.754 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' B' B ' 2' ' ' VAL . . . . . . . . . . . . . 96.1 t -132.08 121.74 47.23 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.955 0 C-N-CA 124.905 1.282 . . . . 0.0 108.256 169.759 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 3' ' ' ASN . . . . . . . . . . . . . 8.4 m120 -65.03 115.62 5.6 Favored 'General case' 0 CA--C 1.541 0.633 0 C-N-CA 123.784 0.834 . . . . 0.0 109.805 172.711 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 4' ' ' GLN . . . . . . . . . . . . . 14.7 pt20 -161.08 -178.14 6.56 Favored 'General case' 0 CA--C 1.537 0.475 0 C-N-CA 125.528 1.531 . . . . 0.0 110.402 -171.601 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 5' ' ' HIS . . . . . . . . . . . . . 78.6 m-70 -86.75 128.17 35.01 Favored 'General case' 0 CA--C 1.542 0.635 0 C-N-CA 123.961 0.904 . . . . 0.0 110.447 171.421 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 96.1 mt -128.39 121.55 29.34 Favored 'General case' 0 N--CA 1.468 0.465 0 C-N-CA 124.868 1.267 . . . . 0.0 110.891 -172.903 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 7' ' ' CYS . . . . . . . . . . . . . 59.0 m -134.25 142.41 47.33 Favored 'General case' 0 N--CA 1.47 0.527 0 C-N-CA 125.198 1.399 . . . . 0.0 110.293 -178.204 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 8' ' ' GLY . . . . . . . . . . . . . . . 55.6 -123.4 30.19 Favored Glycine 0 N--CA 1.473 1.157 0 C-N-CA 123.972 0.796 . . . . 0.0 113.198 171.323 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 9' ' ' SER . . . . . . . . . . . . . 20.4 m -53.95 -40.44 66.81 Favored 'General case' 0 N--CA 1.47 0.554 0 C-N-CA 124.445 1.098 . . . . 0.0 112.772 178.242 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 10' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -63.14 -38.32 90.72 Favored 'General case' 0 CA--C 1.542 0.635 0 O-C-N 121.35 -0.843 . . . . 0.0 112.207 177.506 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 21.1 tp -71.62 -44.69 63.94 Favored 'General case' 0 CA--C 1.537 0.45 0 C-N-CA 124.554 1.142 . . . . 0.0 110.993 178.097 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 73.4 t -59.31 -43.28 89.67 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.074 0 C-N-CA 124.106 0.962 . . . . 0.0 111.195 173.164 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 24.4 mt-10 -58.78 -47.89 83.14 Favored 'General case' 0 CA--C 1.533 0.325 0 C-N-CA 123.856 0.863 . . . . 0.0 111.843 173.184 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 14' ' ' ALA . . . . . 0.433 ' O ' HG23 ' B' ' 18' ' ' VAL . . . -60.99 -47.54 85.96 Favored 'General case' 0 CA--C 1.532 0.264 0 CA-C-N 119.403 1.002 . . . . 0.0 111.846 177.99 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 3.7 mm? -55.38 -38.44 68.87 Favored 'General case' 0 N--CA 1.469 0.496 0 C-N-CA 123.276 0.63 . . . . 0.0 111.899 176.679 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 16' ' ' TYR . . . . . . . . . . . . . 81.7 t80 -62.73 -46.42 88.14 Favored 'General case' 0 CA--C 1.536 0.423 0 CA-C-N 119.0 0.818 . . . . 0.0 112.206 171.369 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 96.1 mt -63.07 -44.93 94.41 Favored 'General case' 0 CA--C 1.536 0.427 0 CA-C-N 118.683 0.674 . . . . 0.0 112.339 -179.612 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 18' ' ' VAL . . . . . 0.49 HG21 HD11 ' A' ' 16' ' ' LEU . 0.1 OUTLIER -76.85 -50.34 21.41 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.07 0 CA-C-N 118.738 0.699 . . . . 0.0 111.767 -179.038 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' B' B ' 19' ' ' CYS . . . . . . . . . . . . . 35.7 t -102.26 -35.79 8.73 Favored 'General case' 0 CA--C 1.539 0.549 0 N-CA-C 113.776 1.028 . . . . 0.0 113.776 -166.251 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.471 1.024 0 C-N-CA 124.14 0.876 . . . . 0.0 112.51 -174.782 . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 9.3 tp . . . . . 0 N--CA 1.482 1.132 0 N-CA-C 113.249 0.833 . . . . 0.0 113.249 . . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 84.6 t -64.34 -41.48 92.5 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.915 0 C-N-CA 123.71 0.804 . . . . 0.0 110.408 179.419 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 43.0 mp0 -75.64 -2.55 29.87 Favored 'General case' 0 CA--C 1.544 0.749 0 C-N-CA 123.991 0.916 . . . . 0.0 113.226 178.667 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 30.7 mm100 -95.79 -56.66 2.6 Favored 'General case' 0 CA--C 1.536 0.435 0 CA-C-N 119.07 0.85 . . . . 0.0 110.645 162.258 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 35.9 m -92.21 -28.62 16.91 Favored 'General case' 0 N--CA 1.47 0.56 0 N-CA-C 114.934 1.457 . . . . 0.0 114.934 -162.693 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 11.7 t -74.62 -25.34 59.17 Favored 'General case' 0 N--CA 1.473 0.716 0 O-C-N 121.426 -0.796 . . . . 0.0 112.885 175.16 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 6.7 t -92.82 -32.11 14.76 Favored 'General case' 0 N--CA 1.473 0.705 0 C-N-CA 124.997 1.319 . . . . 0.0 112.966 178.125 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 3.9 t -152.73 -175.21 5.2 Favored 'General case' 0 CA--C 1.543 0.698 0 N-CA-C 114.101 1.149 . . . . 0.0 114.101 -175.082 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 34.4 mm -64.78 128.31 27.16 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.454 0 C-N-CA 125.095 1.358 . . . . 0.0 111.209 178.945 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 10.2 m -112.45 130.19 56.07 Favored 'General case' 0 N--CA 1.467 0.418 0 C-N-CA 124.568 1.147 . . . . 0.0 111.536 165.595 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 48.9 m -89.44 156.33 18.74 Favored 'General case' 0 CA--C 1.537 0.45 0 C-N-CA 124.428 1.091 . . . . 0.0 111.605 165.937 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 13' ' ' LEU . . . . . 0.569 ' H ' HD23 ' A' ' 13' ' ' LEU . 1.5 pt? -56.72 -43.57 80.73 Favored 'General case' 0 CA--C 1.532 0.278 0 C-N-CA 123.949 0.9 . . . . 0.0 112.029 -176.86 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 26.6 p90 -69.35 -13.56 62.44 Favored 'General case' 0 CA--C 1.535 0.399 0 C-N-CA 124.833 1.253 . . . . 0.0 114.2 -170.695 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 2.2 pt20 -113.14 -26.63 8.35 Favored 'General case' 0 C--O 1.223 -0.309 0 C-N-CA 124.233 1.013 . . . . 0.0 111.05 -178.546 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -78.5 -30.12 47.03 Favored 'General case' 0 CA--C 1.548 0.884 0 C-N-CA 123.899 0.88 . . . . 0.0 111.531 177.636 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 27.7 mt-10 -50.25 -36.45 31.22 Favored 'General case' 0 N--CA 1.483 1.189 0 C-N-CA 125.285 1.434 . . . . 0.0 111.949 170.368 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 4.3 m120 -57.01 -26.28 59.98 Favored 'General case' 0 CA--C 1.541 0.621 0 C-N-CA 125.335 1.454 . . . . 0.0 112.841 -175.114 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 93.6 m-85 -88.61 -6.55 57.45 Favored 'General case' 0 CA--C 1.541 0.629 0 C-N-CA 125.978 1.711 . . . . 0.0 113.741 -177.396 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 11.6 t -75.56 -26.12 57.69 Favored 'General case' 0 CA--C 1.545 0.765 0 C-N-CA 123.492 0.717 . . . . 0.0 112.693 173.741 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 24.2 t-20 . . . . . 0 C--O 1.254 1.297 0 C-N-CA 125.636 1.574 . . . . 0.0 113.063 178.06 . . . . . . . . 0 0 . 1 . 011 nuclear build core ' B' B ' 1' ' ' PHE . . . . . . . . . . . . . 30.0 t80 . . . . . 0 N--CA 1.487 1.383 0 N-CA-C 110.759 -0.089 . . . . 0.0 110.759 . . . . . . . . . 0 0 . 1 . 011 nuclear build core ' B' B ' 2' ' ' VAL . . . . . . . . . . . . . 12.4 p -147.21 134.62 14.26 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.863 0 C-N-CA 125.021 1.328 . . . . 0.0 109.169 168.468 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 3' ' ' ASN . . . . . . . . . . . . . 5.8 p30 -64.78 124.9 23.17 Favored 'General case' 0 CA--C 1.534 0.354 0 CA-C-O 120.768 0.318 . . . . 0.0 110.501 172.642 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 4' ' ' GLN . . . . . . . . . . . . . 23.6 pt20 -160.17 172.28 17.71 Favored 'General case' 0 CA--C 1.53 0.187 0 CA-C-O 121.804 0.811 . . . . 0.0 112.052 -165.844 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 5' ' ' HIS . . . . . . . . . . . . . 76.0 m80 -77.95 132.28 37.8 Favored 'General case' 0 CA--C 1.544 0.729 0 C-N-CA 124.304 1.041 . . . . 0.0 110.277 169.494 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 89.7 mt -140.33 132.32 27.78 Favored 'General case' 0 N--CA 1.47 0.572 0 C-N-CA 124.797 1.239 . . . . 0.0 110.868 -173.954 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 7' ' ' CYS . . . . . . . . . . . . . 3.0 t -155.07 145.92 22.47 Favored 'General case' 0 N--CA 1.468 0.462 0 O-C-N 121.686 -0.634 . . . . 0.0 111.81 178.2 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 8' ' ' GLY . . . . . . . . . . . . . . . 59.82 -126.65 42.41 Favored Glycine 0 CA--C 1.529 0.942 0 C-N-CA 123.866 0.746 . . . . 0.0 112.198 -179.088 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 9' ' ' SER . . . . . . . . . . . . . 20.1 m -53.48 -39.94 64.92 Favored 'General case' 0 N--CA 1.47 0.534 0 C-N-CA 124.609 1.164 . . . . 0.0 112.65 178.197 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 10' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -62.76 -38.06 89.08 Favored 'General case' 0 CA--C 1.541 0.61 0 O-C-N 121.189 -0.944 . . . . 0.0 112.503 177.915 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 15.5 tp -71.37 -44.12 65.59 Favored 'General case' 0 CA--C 1.536 0.411 0 C-N-CA 124.351 1.06 . . . . 0.0 110.776 178.43 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 83.0 t -59.89 -44.03 93.43 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.012 0 C-N-CA 123.914 0.885 . . . . 0.0 111.246 173.3 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 23.9 mt-10 -59.54 -45.71 90.98 Favored 'General case' 0 N--CA 1.466 0.332 0 C-N-CA 124.066 0.946 . . . . 0.0 112.126 173.996 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -61.37 -49.1 78.29 Favored 'General case' 0 CA--C 1.532 0.275 0 CA-C-N 119.057 0.844 . . . . 0.0 111.487 177.792 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 3.9 mm? -54.99 -37.96 67.23 Favored 'General case' 0 N--CA 1.472 0.647 0 CA-C-N 119.048 0.84 . . . . 0.0 112.049 176.856 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 16' ' ' TYR . . . . . . . . . . . . . 54.1 t80 -62.24 -43.52 98.63 Favored 'General case' 0 CA--C 1.539 0.523 0 O-C-N 121.256 -0.903 . . . . 0.0 112.408 172.004 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 95.4 mt -68.92 -46.08 69.18 Favored 'General case' 0 CA--C 1.537 0.474 0 O-C-N 121.534 -0.729 . . . . 0.0 112.556 179.976 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 18' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -78.08 -40.76 26.54 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.28 0 CA-C-N 118.998 0.817 . . . . 0.0 112.515 -178.004 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 19' ' ' CYS . . . . . . . . . . . . . 15.0 t -111.45 -39.65 4.6 Favored 'General case' 0 CA--C 1.538 0.514 0 N-CA-C 113.811 1.041 . . . . 0.0 113.811 -171.35 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.475 1.281 0 O-C-N 121.446 -0.784 . . . . 0.0 113.079 -177.854 . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 7.9 tp . . . . . 0 N--CA 1.482 1.174 0 N-CA-C 113.97 1.1 . . . . 0.0 113.97 . . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 96.5 t -64.7 -43.93 96.57 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.188 0 O-C-N 121.417 -0.802 . . . . 0.0 111.086 -177.087 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 17.3 pt-20 -74.6 0.54 14.63 Favored 'General case' 0 CA--C 1.546 0.806 0 N-CA-C 113.649 0.981 . . . . 0.0 113.649 177.46 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 14.6 tp60 -99.75 -56.78 2.3 Favored 'General case' 0 CA--C 1.537 0.443 0 C-N-CA 123.972 0.909 . . . . 0.0 110.363 164.947 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 55.7 m -87.37 -30.2 20.95 Favored 'General case' 0 N--CA 1.468 0.438 0 N-CA-C 115.483 1.661 . . . . 0.0 115.483 -167.28 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 36.4 t -81.08 -25.31 37.13 Favored 'General case' 0 N--CA 1.476 0.846 0 O-C-N 120.938 -1.101 . . . . 0.0 113.534 -179.223 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 5.7 t -91.77 -19.21 22.83 Favored 'General case' 0 N--CA 1.474 0.73 0 C-N-CA 124.699 1.2 . . . . 0.0 113.852 -179.722 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 87.2 p -158.86 168.75 25.98 Favored 'General case' 0 CA--C 1.54 0.589 0 C-N-CA 124.167 0.987 . . . . 0.0 112.63 -171.426 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 26.8 mm -59.55 125.71 16.07 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.696 0 O-C-N 121.459 -0.776 . . . . 0.0 109.609 171.77 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 14.2 p -122.27 153.4 38.94 Favored 'General case' 0 CA--C 1.535 0.37 0 CA-C-O 121.625 0.726 . . . . 0.0 112.235 168.688 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 37.9 m -115.54 154.82 28.68 Favored 'General case' 0 N--CA 1.469 0.499 0 C-N-CA 124.156 0.983 . . . . 0.0 113.097 -172.15 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 13' ' ' LEU . . . . . 0.536 ' H ' HD23 ' A' ' 13' ' ' LEU . 1.6 pt? -57.76 -39.68 77.98 Favored 'General case' 0 N--CA 1.464 0.231 0 C-N-CA 123.747 0.819 . . . . 0.0 112.325 -172.481 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 21.8 p90 -70.21 -12.45 61.61 Favored 'General case' 0 CA--C 1.537 0.475 0 C-N-CA 125.283 1.433 . . . . 0.0 114.136 -174.176 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 3.9 pt20 -118.28 -26.22 6.36 Favored 'General case' 0 CA--C 1.533 0.316 0 C-N-CA 124.237 1.015 . . . . 0.0 111.096 -179.589 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -77.22 -29.85 54.35 Favored 'General case' 0 CA--C 1.547 0.864 0 CA-C-N 119.165 0.893 . . . . 0.0 111.887 178.736 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 19.4 mt-10 -54.91 -32.66 61.34 Favored 'General case' 0 N--CA 1.48 1.026 0 C-N-CA 124.035 0.934 . . . . 0.0 111.774 168.437 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 1.3 t-20 -59.67 -23.06 62.76 Favored 'General case' 0 CA--C 1.54 0.572 0 C-N-CA 124.005 0.922 . . . . 0.0 113.285 -177.318 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 82.1 m-85 -87.75 -16.15 35.03 Favored 'General case' 0 CA--C 1.542 0.645 0 C-N-CA 125.276 1.43 . . . . 0.0 113.291 176.398 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 11.2 t -79.33 -30.23 42.67 Favored 'General case' 0 CA--C 1.541 0.615 0 C-N-CA 124.238 1.015 . . . . 0.0 111.95 170.042 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 11.9 m-80 . . . . . 0 C--O 1.254 1.297 0 C-N-CA 126.006 1.722 . . . . 0.0 112.819 -178.946 . . . . . . . . 0 0 . 1 . 012 nuclear build core ' B' B ' 1' ' ' PHE . . . . . . . . . . . . . 51.4 t80 . . . . . 0 N--CA 1.487 1.415 0 N-CA-C 111.112 0.041 . . . . 0.0 111.112 . . . . . . . . . 0 0 . 1 . 012 nuclear build core ' B' B ' 2' ' ' VAL . . . . . . . . . . . . . 10.0 p -146.55 134.64 15.5 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.813 0 C-N-CA 125.47 1.508 . . . . 0.0 108.713 165.698 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 3' ' ' ASN . . . . . . . . . . . . . 69.2 m-20 -63.7 117.34 6.72 Favored 'General case' 0 CA--C 1.538 0.492 0 C-N-CA 123.108 0.563 . . . . 0.0 109.627 178.103 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 4' ' ' GLN . . . . . . . . . . . . . 24.9 pt20 -157.84 178.89 9.74 Favored 'General case' 0 CA--C 1.534 0.333 0 CA-C-O 121.485 0.66 . . . . 0.0 112.646 -165.209 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 5' ' ' HIS . . . . . . . . . . . . . 77.4 m80 -82.32 132.96 35.22 Favored 'General case' 0 CA--C 1.543 0.68 0 C-N-CA 124.605 1.162 . . . . 0.0 110.71 168.854 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 80.3 mt -140.36 126.36 19.59 Favored 'General case' 0 N--CA 1.469 0.523 0 C-N-CA 124.792 1.237 . . . . 0.0 111.505 -173.772 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 7' ' ' CYS . . . . . . . . . . . . . 61.1 m -135.43 142.62 45.63 Favored 'General case' 0 N--CA 1.471 0.601 0 C-N-CA 124.962 1.305 . . . . 0.0 110.361 178.875 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 8' ' ' GLY . . . . . . . . . . . . . . . 55.47 -121.59 23.29 Favored Glycine 0 N--CA 1.474 1.167 0 C-N-CA 124.049 0.833 . . . . 0.0 113.418 170.482 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 9' ' ' SER . . . . . . . . . . . . . 20.7 m -54.04 -40.55 67.2 Favored 'General case' 0 N--CA 1.47 0.557 0 C-N-CA 124.502 1.121 . . . . 0.0 112.711 177.741 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 10' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -63.39 -37.65 88.09 Favored 'General case' 0 N--CA 1.472 0.627 0 O-C-N 121.219 -0.926 . . . . 0.0 112.102 176.63 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 17.3 tp -70.97 -43.07 68.83 Favored 'General case' 0 CA--C 1.538 0.507 0 C-N-CA 124.383 1.073 . . . . 0.0 111.036 178.508 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 76.6 t -60.47 -43.76 94.9 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.05 0 C-N-CA 123.961 0.904 . . . . 0.0 111.339 171.772 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 23.5 mt-10 -59.3 -43.36 92.61 Favored 'General case' 0 N--CA 1.466 0.36 0 C-N-CA 124.012 0.925 . . . . 0.0 112.18 173.929 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 14' ' ' ALA . . . . . 0.43 ' O ' HG23 ' B' ' 18' ' ' VAL . . . -62.77 -49.85 73.35 Favored 'General case' 0 N--CA 1.453 -0.295 0 O-C-N 121.207 -0.933 . . . . 0.0 111.521 176.209 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 4.0 mm? -55.65 -37.55 68.4 Favored 'General case' 0 N--CA 1.471 0.591 0 CA-C-N 119.232 0.924 . . . . 0.0 112.097 177.8 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 16' ' ' TYR . . . . . . . . . . . . . 83.8 t80 -59.71 -50.41 73.95 Favored 'General case' 0 N--CA 1.468 0.451 0 CA-C-N 119.112 0.869 . . . . 0.0 112.093 169.058 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 97.5 mt -63.0 -42.23 99.79 Favored 'General case' 0 CA--C 1.536 0.417 0 N-CA-C 113.101 0.778 . . . . 0.0 113.101 -178.606 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 18' ' ' VAL . . . . . 0.43 HG23 ' O ' ' B' ' 14' ' ' ALA . 0.0 OUTLIER -84.61 -36.95 12.17 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.296 0 CA-C-N 119.117 0.871 . . . . 0.0 113.343 -177.026 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' B' B ' 19' ' ' CYS . . . . . . . . . . . . . 13.3 t -113.89 -29.0 7.19 Favored 'General case' 0 CA--C 1.542 0.654 0 N-CA-C 114.783 1.401 . . . . 0.0 114.783 -167.844 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.474 1.184 0 C-N-CA 124.502 1.048 . . . . 0.0 112.207 -179.578 . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 6.8 tp . . . . . 0 N--CA 1.48 1.045 0 N-CA-C 114.126 1.158 . . . . 0.0 114.126 . . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 60.1 t -61.93 -43.19 97.15 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.091 0 O-C-N 121.318 -0.864 . . . . 0.0 109.813 179.41 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 2.4 mp0 -69.39 -6.97 33.43 Favored 'General case' 0 CA--C 1.546 0.799 0 C-N-CA 124.858 1.263 . . . . 0.0 113.491 176.844 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 19.5 tp60 -106.28 -33.36 7.81 Favored 'General case' 0 CA--C 1.539 0.557 0 C-N-CA 124.44 1.096 . . . . 0.0 112.714 176.49 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -117.02 -20.19 9.44 Favored 'General case' 0 N--CA 1.479 0.983 0 N-CA-C 116.481 2.03 . . . . 0.0 116.481 -173.715 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 49.2 t -82.9 -34.86 26.54 Favored 'General case' 0 N--CA 1.478 0.973 0 O-C-N 121.093 -1.004 . . . . 0.0 113.589 175.632 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 6.2 t -78.37 -31.04 48.27 Favored 'General case' 0 N--CA 1.478 0.947 0 C-N-CA 125.045 1.338 . . . . 0.0 112.96 179.765 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 98.9 p -162.69 167.63 22.81 Favored 'General case' 0 CA--C 1.537 0.473 0 C-N-CA 127.158 2.183 . . . . 0.0 109.904 -174.989 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 21.3 mt -72.84 126.05 32.78 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.615 0 O-C-N 121.145 -0.972 . . . . 0.0 111.447 -170.775 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 9.1 p -102.35 142.76 33.04 Favored 'General case' 0 CA--C 1.539 0.523 0 C-N-CA 123.424 0.689 . . . . 0.0 111.276 165.41 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 11.6 p -82.54 160.33 22.62 Favored 'General case' 0 C--O 1.236 0.36 0 CA-C-O 122.131 0.967 . . . . 0.0 111.822 167.177 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 13' ' ' LEU . . . . . 0.473 ' H ' HD23 ' A' ' 13' ' ' LEU . 1.8 pt? -54.41 -39.73 67.57 Favored 'General case' 0 CA--C 1.531 0.224 0 C-N-CA 123.164 0.585 . . . . 0.0 111.893 174.649 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 12.4 p90 -72.1 -12.76 61.35 Favored 'General case' 0 C--O 1.233 0.221 0 N-CA-C 114.363 1.246 . . . . 0.0 114.363 -169.233 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 15.8 pt20 -110.09 -25.78 10.03 Favored 'General case' 0 CA--C 1.532 0.277 0 C-N-CA 123.914 0.886 . . . . 0.0 110.855 176.895 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 16' ' ' LEU . . . . . 0.584 HD11 HG21 ' B' ' 18' ' ' VAL . 0.3 OUTLIER -77.34 -27.42 52.75 Favored 'General case' 0 CA--C 1.546 0.807 0 CA-C-N 118.871 0.759 . . . . 0.0 111.674 176.856 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 29.8 mt-10 -50.99 -32.48 21.3 Favored 'General case' 0 N--CA 1.48 1.07 0 C-N-CA 124.889 1.275 . . . . 0.0 111.795 167.46 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 1.1 t-20 -64.44 -17.87 64.21 Favored 'General case' 0 CA--C 1.542 0.644 0 C-N-CA 124.809 1.243 . . . . 0.0 113.393 -176.675 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 82.3 m-85 -95.43 1.24 54.06 Favored 'General case' 0 CA--C 1.547 0.837 0 C-N-CA 126.485 1.914 . . . . 0.0 113.284 177.718 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 42.6 t -67.26 -33.02 74.45 Favored 'General case' 0 N--CA 1.474 0.726 0 C-N-CA 124.667 1.187 . . . . 0.0 113.288 176.913 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--O 1.252 1.203 0 C-N-CA 125.939 1.695 . . . . 0.0 113.013 177.128 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 1' ' ' PHE . . . . . . . . . . . . . 71.5 t80 . . . . . 0 N--CA 1.487 1.401 0 CA-C-O 119.832 -0.128 . . . . 0.0 110.849 . . . . . . . . . 0 0 . 1 . 013 nuclear build core ' B' B ' 2' ' ' VAL . . . . . . . . . . . . . 85.3 t -130.59 124.68 57.49 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.864 0 C-N-CA 125.179 1.392 . . . . 0.0 108.198 170.131 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 3' ' ' ASN . . . . . . . . . . . . . 3.6 m-80 -67.06 111.03 3.64 Favored 'General case' 0 CA--C 1.541 0.627 0 C-N-CA 123.118 0.567 . . . . 0.0 109.77 170.514 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 4' ' ' GLN . . . . . . . . . . . . . 25.5 pt20 -161.2 175.91 11.83 Favored 'General case' 0 CA--C 1.536 0.411 0 C-N-CA 126.385 1.874 . . . . 0.0 109.877 -174.433 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 5' ' ' HIS . . . . . . . . . . . . . 76.7 m-70 -80.53 127.97 33.06 Favored 'General case' 0 CA--C 1.54 0.579 0 C-N-CA 123.356 0.662 . . . . 0.0 110.116 173.006 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 96.5 mt -129.52 132.49 46.88 Favored 'General case' 0 N--CA 1.468 0.451 0 C-N-CA 124.342 1.057 . . . . 0.0 110.84 -174.537 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 7' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -154.41 147.07 24.2 Favored 'General case' 0 N--CA 1.467 0.421 0 C-N-CA 123.831 0.852 . . . . 0.0 110.976 -177.589 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 8' ' ' GLY . . . . . . . . . . . . . . . 57.67 -126.47 42.33 Favored Glycine 0 CA--C 1.53 0.971 0 C-N-CA 123.796 0.712 . . . . 0.0 112.755 179.28 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 9' ' ' SER . . . . . . . . . . . . . 8.1 p -50.42 -42.54 54.01 Favored 'General case' 0 N--CA 1.471 0.597 0 C-N-CA 125.196 1.398 . . . . 0.0 113.262 176.045 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 10' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -64.8 -37.41 87.54 Favored 'General case' 0 CA--C 1.541 0.6 0 O-C-N 121.258 -0.901 . . . . 0.0 112.635 178.999 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 15.4 tp -72.35 -43.37 64.17 Favored 'General case' 0 CA--C 1.536 0.412 0 C-N-CA 124.025 0.93 . . . . 0.0 110.925 176.995 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 79.5 t -59.8 -42.9 90.46 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.959 0 C-N-CA 123.981 0.913 . . . . 0.0 111.168 173.614 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 18.8 mt-10 -60.6 -44.66 96.01 Favored 'General case' 0 N--CA 1.468 0.471 0 C-N-CA 123.927 0.891 . . . . 0.0 112.461 174.054 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -61.86 -48.8 78.91 Favored 'General case' 0 CA--C 1.534 0.342 0 CA-C-N 118.892 0.769 . . . . 0.0 111.669 175.885 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 4.1 mm? -58.0 -37.04 73.53 Favored 'General case' 0 N--CA 1.47 0.543 0 CA-C-N 118.784 0.72 . . . . 0.0 111.753 175.969 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 16' ' ' TYR . . . . . . . . . . . . . 80.4 t80 -58.49 -41.74 85.99 Favored 'General case' 0 CA--C 1.537 0.442 0 CA-C-N 120.479 1.491 . . . . 0.0 112.164 172.325 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 93.4 mt -71.48 -48.1 51.29 Favored 'General case' 0 CA--C 1.542 0.64 0 CA-C-O 118.904 -0.569 . . . . 0.0 112.43 179.875 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 18' ' ' VAL . . . . . 0.584 HG21 HD11 ' A' ' 16' ' ' LEU . 0.0 OUTLIER -82.51 -29.52 8.97 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.55 0 N-CA-C 113.722 1.008 . . . . 0.0 113.722 -175.725 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' B' B ' 19' ' ' CYS . . . . . . . . . . . . . 53.6 t -114.74 -44.43 3.06 Favored 'General case' 0 CA--C 1.54 0.59 0 C-N-CA 124.313 1.045 . . . . 0.0 113.308 -173.703 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.476 1.303 0 C-N-CA 123.757 0.694 . . . . 0.0 113.951 -169.684 . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 8.0 tp . . . . . 0 N--CA 1.481 1.078 0 N-CA-C 113.733 1.012 . . . . 0.0 113.733 . . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 84.0 t -63.76 -44.93 98.44 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.04 0 CA-C-N 119.131 0.878 . . . . 0.0 110.027 178.297 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 46.0 mp0 -71.87 -3.52 22.88 Favored 'General case' 0 CA--C 1.545 0.788 0 C-N-CA 124.719 1.208 . . . . 0.0 112.942 176.737 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 9.8 tp-100 -101.18 -55.72 2.48 Favored 'General case' 0 CA--C 1.538 0.482 0 C-N-CA 124.478 1.111 . . . . 0.0 110.921 172.29 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 2.6 t -99.63 -20.1 16.49 Favored 'General case' 0 N--CA 1.473 0.678 0 N-CA-C 115.468 1.655 . . . . 0.0 115.468 -167.932 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 34.2 t -81.11 -26.61 36.04 Favored 'General case' 0 N--CA 1.477 0.877 0 O-C-N 120.752 -1.217 . . . . 0.0 113.228 174.005 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 5.9 t -83.79 -32.97 25.07 Favored 'General case' 0 N--CA 1.475 0.808 0 C-N-CA 124.368 1.067 . . . . 0.0 112.918 178.12 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 94.1 p -154.55 170.95 20.26 Favored 'General case' 0 CA--C 1.545 0.767 0 C-N-CA 124.964 1.306 . . . . 0.0 112.48 -175.482 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 20.2 mm -57.19 133.17 21.81 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.959 0 O-C-N 121.102 -0.999 . . . . 0.0 110.967 179.862 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 2.6 p -126.7 161.75 27.4 Favored 'General case' 0 N--CA 1.472 0.669 0 N-CA-C 113.839 1.052 . . . . 0.0 113.839 165.669 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 51.5 m -117.57 155.28 30.08 Favored 'General case' 0 N--CA 1.47 0.559 0 C-N-CA 125.625 1.57 . . . . 0.0 112.505 -176.668 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 13' ' ' LEU . . . . . 0.555 ' H ' HD23 ' A' ' 13' ' ' LEU . 1.6 pt? -57.03 -42.68 80.87 Favored 'General case' 0 N--CA 1.463 0.215 0 C-N-CA 124.292 1.037 . . . . 0.0 112.164 -173.611 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 21.6 p90 -67.33 -12.21 59.6 Favored 'General case' 0 CA--C 1.536 0.429 0 C-N-CA 125.198 1.399 . . . . 0.0 114.718 -173.766 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 3.8 pt20 -118.69 -30.5 5.1 Favored 'General case' 0 CA--C 1.533 0.312 0 C-N-CA 124.362 1.065 . . . . 0.0 110.655 -178.335 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 16' ' ' LEU . . . . . 0.512 HD11 HG21 ' B' ' 18' ' ' VAL . 0.2 OUTLIER -69.46 -33.68 73.26 Favored 'General case' 0 CA--C 1.549 0.93 0 CA-C-N 119.048 0.84 . . . . 0.0 111.184 174.833 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 17.1 mt-10 -46.58 -39.31 10.84 Favored 'General case' 0 N--CA 1.48 1.042 0 C-N-CA 126.131 1.772 . . . . 0.0 112.107 169.202 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 1.3 t-20 -63.26 -18.33 63.44 Favored 'General case' 0 CA--C 1.54 0.58 0 C-N-CA 125.392 1.477 . . . . 0.0 113.955 -173.994 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 85.5 m-85 -91.46 -6.57 52.48 Favored 'General case' 0 CA--C 1.541 0.627 0 C-N-CA 125.772 1.629 . . . . 0.0 113.782 178.661 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 38.8 t -68.57 -32.63 72.68 Favored 'General case' 0 N--CA 1.474 0.767 0 N-CA-C 113.241 0.83 . . . . 0.0 113.241 -178.478 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--O 1.252 1.199 0 C-N-CA 125.644 1.577 . . . . 0.0 113.202 178.672 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 1' ' ' PHE . . . . . . . . . . . . . 53.2 t80 . . . . . 0 N--CA 1.486 1.348 0 CA-C-O 119.658 -0.211 . . . . 0.0 110.714 . . . . . . . . . 0 0 . 1 . 014 nuclear build core ' B' B ' 2' ' ' VAL . . . . . . . . . . . . . 92.8 t -131.11 123.66 54.13 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.018 0 C-N-CA 124.916 1.286 . . . . 0.0 108.81 172.148 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 3' ' ' ASN . . . . . . . . . . . . . 5.8 m120 -67.05 111.57 3.93 Favored 'General case' 0 CA--C 1.541 0.628 0 C-N-CA 124.928 1.291 . . . . 0.0 109.402 177.377 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 4' ' ' GLN . . . . . . . . . . . . . 16.2 pt20 -157.17 179.29 9.42 Favored 'General case' 0 CA--C 1.536 0.423 0 O-C-N 121.591 -0.693 . . . . 0.0 112.4 -167.681 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 5' ' ' HIS . . . . . . . . . . . . . 72.1 m80 -83.87 132.46 34.79 Favored 'General case' 0 CA--C 1.543 0.694 0 C-N-CA 124.585 1.154 . . . . 0.0 110.154 167.742 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 91.8 mt -134.52 129.71 35.53 Favored 'General case' 0 N--CA 1.47 0.535 0 C-N-CA 124.503 1.121 . . . . 0.0 110.876 -176.144 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 7' ' ' CYS . . . . . . . . . . . . . 66.7 m -137.27 143.77 42.37 Favored 'General case' 0 N--CA 1.471 0.595 0 C-N-CA 125.092 1.357 . . . . 0.0 110.408 -178.925 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 8' ' ' GLY . . . . . . . . . . . . . . . 54.74 -122.69 26.17 Favored Glycine 0 N--CA 1.473 1.147 0 C-N-CA 124.148 0.88 . . . . 0.0 113.297 170.439 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 9' ' ' SER . . . . . . . . . . . . . 20.3 m -54.05 -39.71 66.48 Favored 'General case' 0 N--CA 1.469 0.51 0 C-N-CA 124.622 1.169 . . . . 0.0 112.84 178.318 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 10' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -64.69 -36.04 83.0 Favored 'General case' 0 CA--C 1.54 0.591 0 O-C-N 121.278 -0.889 . . . . 0.0 112.292 177.157 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 16.1 tp -74.24 -42.14 60.18 Favored 'General case' 0 CA--C 1.539 0.55 0 C-N-CA 124.664 1.186 . . . . 0.0 111.066 178.332 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 68.9 t -60.59 -43.32 94.38 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.08 0 C-N-CA 124.355 1.062 . . . . 0.0 111.36 171.331 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 20.7 mt-10 -57.65 -48.24 80.03 Favored 'General case' 0 N--CA 1.465 0.305 0 C-N-CA 123.482 0.713 . . . . 0.0 111.568 171.901 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 14' ' ' ALA . . . . . 0.564 ' O ' HG22 ' B' ' 18' ' ' VAL . . . -58.77 -48.22 81.99 Favored 'General case' 0 CA--C 1.534 0.335 0 CA-C-N 119.27 0.941 . . . . 0.0 112.189 177.807 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 3.8 mm? -55.38 -36.83 66.8 Favored 'General case' 0 N--CA 1.471 0.616 0 C-N-CA 123.535 0.734 . . . . 0.0 112.16 176.276 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 16' ' ' TYR . . . . . . . . . . . . . 81.7 t80 -63.27 -44.33 95.42 Favored 'General case' 0 CA--C 1.537 0.452 0 O-C-N 121.446 -0.784 . . . . 0.0 112.182 171.13 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 86.0 mt -65.06 -51.27 62.44 Favored 'General case' 0 N--CA 1.468 0.472 0 CA-C-N 119.203 0.91 . . . . 0.0 111.959 179.375 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 18' ' ' VAL . . . . . 0.564 HG22 ' O ' ' B' ' 14' ' ' ALA . 0.0 OUTLIER -71.03 -42.15 76.68 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.019 0 N-CA-C 112.853 0.686 . . . . 0.0 112.853 -176.939 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' B' B ' 19' ' ' CYS . . . . . . . . . . . . . 13.9 t -116.98 -33.35 4.76 Favored 'General case' 0 N--CA 1.473 0.693 0 N-CA-C 114.43 1.27 . . . . 0.0 114.43 -167.915 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.472 1.094 0 C-N-CA 123.848 0.737 . . . . 0.0 112.172 -176.482 . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 6.4 tp . . . . . 0 N--CA 1.484 1.235 0 N-CA-C 113.663 0.986 . . . . 0.0 113.663 . . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 87.3 t -63.14 -43.3 98.81 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.06 0 O-C-N 121.483 -0.76 . . . . 0.0 110.422 174.808 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 36.2 tt0 -73.58 -7.9 53.79 Favored 'General case' 0 CA--C 1.548 0.887 0 C-N-CA 124.015 0.926 . . . . 0.0 112.608 175.583 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 46.4 tp60 -93.9 -40.36 10.19 Favored 'General case' 0 CA--C 1.538 0.499 0 O-C-N 121.058 -1.027 . . . . 0.0 112.278 172.662 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -120.84 -17.68 7.84 Favored 'General case' 0 N--CA 1.479 1.012 0 N-CA-C 117.263 2.32 . . . . 0.0 117.263 -171.231 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 43.1 t -84.96 -38.02 19.8 Favored 'General case' 0 N--CA 1.481 1.083 0 O-C-N 120.789 -1.194 . . . . 0.0 113.48 176.284 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 6.1 t -74.12 -30.63 62.41 Favored 'General case' 0 N--CA 1.478 0.963 0 C-N-CA 124.751 1.221 . . . . 0.0 112.741 179.624 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 89.3 p -165.45 168.43 16.64 Favored 'General case' 0 CA--C 1.538 0.487 0 C-N-CA 127.393 2.277 . . . . 0.0 110.003 -175.119 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 17.2 mt -73.38 128.19 35.82 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.669 0 O-C-N 121.111 -0.993 . . . . 0.0 112.075 -170.303 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 14.6 p -99.47 170.17 8.8 Favored 'General case' 0 CA--C 1.54 0.579 0 C-N-CA 124.14 0.976 . . . . 0.0 112.935 170.07 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 66.6 m -116.12 153.82 31.08 Favored 'General case' 0 N--CA 1.468 0.443 0 C-N-CA 124.819 1.248 . . . . 0.0 111.746 171.555 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 13' ' ' LEU . . . . . 0.537 ' H ' HD23 ' A' ' 13' ' ' LEU . 1.6 pt? -54.66 -42.93 71.9 Favored 'General case' 0 N--CA 1.464 0.253 0 C-N-CA 124.141 0.977 . . . . 0.0 112.272 -175.722 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 29.8 p90 -67.34 -20.07 65.53 Favored 'General case' 0 CA--C 1.534 0.359 0 N-CA-C 113.582 0.956 . . . . 0.0 113.582 -173.261 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 3.4 pt20 -107.29 -23.89 12.08 Favored 'General case' 0 CA--C 1.532 0.271 0 C-N-CA 123.948 0.899 . . . . 0.0 111.065 179.815 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 16' ' ' LEU . . . . . 0.609 HD11 HG21 ' B' ' 18' ' ' VAL . 0.2 OUTLIER -75.95 -32.54 59.59 Favored 'General case' 0 CA--C 1.548 0.875 0 CA-C-N 119.308 0.958 . . . . 0.0 111.512 173.639 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 33.2 mt-10 -53.49 -36.34 61.58 Favored 'General case' 0 N--CA 1.481 1.087 0 C-N-CA 125.196 1.398 . . . . 0.0 111.628 171.18 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 7.6 m-80 -64.74 -11.9 41.32 Favored 'General case' 0 CA--C 1.547 0.842 0 C-N-CA 124.165 0.986 . . . . 0.0 113.58 -178.299 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 89.3 m-85 -92.5 -17.29 24.69 Favored 'General case' 0 CA--C 1.542 0.639 0 C-N-CA 124.936 1.294 . . . . 0.0 113.397 171.63 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 13.5 t -77.81 -31.63 51.83 Favored 'General case' 0 CA--C 1.542 0.653 0 C-N-CA 123.761 0.825 . . . . 0.0 111.842 167.81 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 11.6 m-80 . . . . . 0 C--O 1.253 1.257 0 C-N-CA 125.801 1.64 . . . . 0.0 112.722 179.416 . . . . . . . . 0 0 . 1 . 015 nuclear build core ' B' B ' 1' ' ' PHE . . . . . . . . . . . . . 80.4 t80 . . . . . 0 N--CA 1.487 1.382 0 CA-C-O 119.6 -0.238 . . . . 0.0 110.599 . . . . . . . . . 0 0 . 1 . 015 nuclear build core ' B' B ' 2' ' ' VAL . . . . . . . . . . . . . 97.7 t -126.95 116.41 44.59 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.958 0 C-N-CA 124.748 1.219 . . . . 0.0 108.199 169.635 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 3' ' ' ASN . . . . . . . . . . . . . 9.1 m120 -66.25 114.24 5.19 Favored 'General case' 0 CA--C 1.539 0.556 0 C-N-CA 123.694 0.798 . . . . 0.0 109.908 173.328 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 4' ' ' GLN . . . . . . . . . . . . . 19.3 pt20 -160.9 -178.11 6.59 Favored 'General case' 0 CA--C 1.536 0.414 0 C-N-CA 125.82 1.648 . . . . 0.0 109.979 -173.277 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 5' ' ' HIS . . . . . . . . . . . . . 80.0 m-70 -85.89 125.09 33.07 Favored 'General case' 0 CA--C 1.541 0.602 0 C-N-CA 123.468 0.707 . . . . 0.0 110.06 172.235 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 95.7 mt -127.95 130.36 48.31 Favored 'General case' 0 N--CA 1.467 0.384 0 C-N-CA 124.795 1.238 . . . . 0.0 110.486 -175.05 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 7' ' ' CYS . . . . . . . . . . . . . 0.6 OUTLIER -149.94 147.39 27.83 Favored 'General case' 0 N--CA 1.468 0.475 0 C-N-CA 123.685 0.794 . . . . 0.0 111.453 -178.416 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 8' ' ' GLY . . . . . . . . . . . . . . . 55.55 -125.22 35.93 Favored Glycine 0 CA--C 1.53 0.983 0 C-N-CA 124.036 0.827 . . . . 0.0 112.519 178.287 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 9' ' ' SER . . . . . . . . . . . . . 20.2 m -53.5 -40.35 65.31 Favored 'General case' 0 N--CA 1.469 0.515 0 C-N-CA 124.498 1.119 . . . . 0.0 112.777 177.784 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 10' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -63.94 -36.93 85.57 Favored 'General case' 0 CA--C 1.543 0.684 0 O-C-N 121.23 -0.918 . . . . 0.0 112.462 178.5 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 17.5 tp -72.16 -44.85 62.43 Favored 'General case' 0 CA--C 1.536 0.421 0 C-N-CA 124.697 1.199 . . . . 0.0 110.652 177.812 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 72.4 t -59.6 -43.6 91.43 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.05 0 C-N-CA 124.003 0.921 . . . . 0.0 111.294 173.183 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 23.3 mt-10 -59.2 -44.93 92.23 Favored 'General case' 0 N--CA 1.467 0.382 0 C-N-CA 124.142 0.977 . . . . 0.0 112.242 174.071 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 14' ' ' ALA . . . . . 0.432 ' O ' HG23 ' B' ' 18' ' ' VAL . . . -61.8 -49.79 74.92 Favored 'General case' 0 N--CA 1.454 -0.267 0 CA-C-N 119.15 0.886 . . . . 0.0 111.15 176.975 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 3.8 mm? -52.67 -41.08 63.51 Favored 'General case' 0 N--CA 1.472 0.627 0 C-N-CA 123.681 0.793 . . . . 0.0 112.156 177.358 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 16' ' ' TYR . . . . . . . . . . . . . 81.8 t80 -60.47 -46.37 90.35 Favored 'General case' 0 CA--C 1.536 0.415 0 O-C-N 121.853 -0.529 . . . . 0.0 112.146 172.732 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 96.0 mt -66.41 -45.49 79.76 Favored 'General case' 0 CA--C 1.537 0.45 0 CA-C-N 118.829 0.74 . . . . 0.0 112.626 179.554 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 18' ' ' VAL . . . . . 0.609 HG21 HD11 ' A' ' 16' ' ' LEU . 0.1 OUTLIER -74.37 -42.23 50.11 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.236 0 CA-C-N 118.882 0.764 . . . . 0.0 111.183 -176.229 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' B' B ' 19' ' ' CYS . . . . . . . . . . . . . 21.2 t -110.23 -41.91 4.29 Favored 'General case' 0 CA--C 1.537 0.455 0 N-CA-C 114.279 1.214 . . . . 0.0 114.279 -167.268 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.474 1.175 0 C-N-CA 123.997 0.808 . . . . 0.0 112.284 -170.957 . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 9.9 tp . . . . . 0 N--CA 1.484 1.237 0 N-CA-C 113.589 0.959 . . . . 0.0 113.589 . . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 77.4 t -63.55 -44.12 98.55 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.265 0 C-N-CA 124.196 0.998 . . . . 0.0 111.086 -176.281 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 17.3 pt-20 -74.45 5.08 5.02 Favored 'General case' 0 CA--C 1.545 0.784 0 N-CA-C 113.574 0.953 . . . . 0.0 113.574 176.843 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -101.48 -62.85 1.2 Allowed 'General case' 0 CA--C 1.54 0.582 0 CA-C-N 118.816 0.734 . . . . 0.0 109.355 157.704 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 38.5 m -79.32 -32.06 43.29 Favored 'General case' 0 N--CA 1.472 0.628 0 N-CA-C 115.235 1.568 . . . . 0.0 115.235 -163.581 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 12.2 t -73.63 -20.68 60.52 Favored 'General case' 0 N--CA 1.472 0.66 0 O-C-N 121.472 -0.767 . . . . 0.0 112.908 177.803 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 9.7 t -105.63 -31.23 9.02 Favored 'General case' 0 N--CA 1.473 0.686 0 C-N-CA 125.288 1.435 . . . . 0.0 113.121 -178.32 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 22.8 m -144.31 172.49 12.85 Favored 'General case' 0 CA--C 1.548 0.895 0 C-N-CA 125.544 1.538 . . . . 0.0 112.984 -175.835 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 21.3 mm -60.31 131.99 25.38 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.964 0 O-C-N 120.673 -1.267 . . . . 0.0 111.021 178.309 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 2.9 m -112.97 155.02 25.5 Favored 'General case' 0 N--CA 1.468 0.432 0 C-N-CA 125.438 1.495 . . . . 0.0 112.346 166.123 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 47.2 m -137.42 151.31 48.39 Favored 'General case' 0 C--O 1.236 0.343 0 C-N-CA 125.91 1.684 . . . . 0.0 110.277 -177.585 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 13' ' ' LEU . . . . . 0.528 ' H ' HD23 ' A' ' 13' ' ' LEU . 1.7 pt? -56.67 -38.71 72.6 Favored 'General case' 0 N--CA 1.464 0.23 0 C-N-CA 123.83 0.852 . . . . 0.0 112.339 -170.803 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 24.1 p90 -68.67 -12.6 61.59 Favored 'General case' 0 CA--C 1.534 0.364 0 C-N-CA 125.242 1.417 . . . . 0.0 114.389 -175.53 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 3.8 pt20 -119.08 -30.03 5.09 Favored 'General case' 0 C--O 1.222 -0.344 0 C-N-CA 123.37 0.668 . . . . 0.0 111.256 178.541 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 16' ' ' LEU . . . . . 0.597 HD11 HG21 ' B' ' 18' ' ' VAL . 0.2 OUTLIER -74.04 -30.65 62.52 Favored 'General case' 0 CA--C 1.548 0.868 0 CA-C-N 119.542 1.064 . . . . 0.0 111.4 -177.827 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 23.8 mt-10 -53.16 -29.77 33.4 Favored 'General case' 0 N--CA 1.479 0.982 0 C-N-CA 124.715 1.206 . . . . 0.0 112.796 169.895 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 78.6 m-20 -62.95 -22.21 66.63 Favored 'General case' 0 CA--C 1.539 0.532 0 C-N-CA 123.791 0.836 . . . . 0.0 112.616 -177.799 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 63.5 m-85 -92.08 -11.51 35.58 Favored 'General case' 0 CA--C 1.543 0.709 0 C-N-CA 125.886 1.674 . . . . 0.0 112.8 178.622 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 12.3 t -81.18 -29.11 34.7 Favored 'General case' 0 N--CA 1.473 0.702 0 C-N-CA 123.579 0.752 . . . . 0.0 111.828 165.915 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 12.6 m-80 . . . . . 0 C--O 1.254 1.336 0 C-N-CA 125.683 1.593 . . . . 0.0 112.844 179.453 . . . . . . . . 0 0 . 1 . 016 nuclear build core ' B' B ' 1' ' ' PHE . . . . . . . . . . . . . 38.7 t80 . . . . . 0 N--CA 1.487 1.417 0 CA-C-O 119.887 -0.101 . . . . 0.0 110.738 . . . . . . . . . 0 0 . 1 . 016 nuclear build core ' B' B ' 2' ' ' VAL . . . . . . . . . . . . . 3.3 p -138.77 123.41 21.4 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.945 0 C-N-CA 125.183 1.393 . . . . 0.0 110.191 173.773 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 3' ' ' ASN . . . . . . . . . . . . . 72.9 m-20 -78.8 118.03 20.47 Favored 'General case' 0 CA--C 1.537 0.443 0 N-CA-C 109.164 -0.68 . . . . 0.0 109.164 173.88 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 4' ' ' GLN . . . . . . . . . . . . . 13.2 pt20 -165.93 -178.13 4.58 Favored 'General case' 0 CA--C 1.537 0.453 0 C-N-CA 124.202 1.001 . . . . 0.0 111.818 -171.609 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 5' ' ' HIS . . . . . . . . . . . . . 74.6 m80 -77.66 137.98 38.83 Favored 'General case' 0 CA--C 1.544 0.728 0 C-N-CA 124.366 1.067 . . . . 0.0 109.882 167.484 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 80.1 mt -143.76 133.32 23.56 Favored 'General case' 0 N--CA 1.472 0.627 0 C-N-CA 124.716 1.206 . . . . 0.0 110.631 -172.916 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 7' ' ' CYS . . . . . . . . . . . . . 2.6 t -155.42 147.71 23.78 Favored 'General case' 0 N--CA 1.47 0.527 0 C-N-CA 123.56 0.744 . . . . 0.0 111.458 179.233 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 8' ' ' GLY . . . . . . . . . . . . . . . 59.99 -129.04 47.5 Favored Glycine 0 CA--C 1.53 1.03 0 C-N-CA 123.808 0.718 . . . . 0.0 112.26 -179.201 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 9' ' ' SER . . . . . . . . . . . . . 20.3 m -54.8 -36.55 65.06 Favored 'General case' 0 N--CA 1.47 0.539 0 C-N-CA 124.566 1.146 . . . . 0.0 112.998 179.131 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 10' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -64.27 -37.85 88.95 Favored 'General case' 0 N--CA 1.472 0.662 0 O-C-N 121.289 -0.882 . . . . 0.0 112.322 176.337 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 15.8 tp -73.68 -43.28 59.77 Favored 'General case' 0 CA--C 1.535 0.381 0 C-N-CA 124.387 1.075 . . . . 0.0 111.212 178.085 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 74.5 t -59.23 -42.74 87.93 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.022 0 C-N-CA 123.988 0.915 . . . . 0.0 110.983 173.04 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 17.7 mm-40 -60.8 -50.5 73.21 Favored 'General case' 0 N--CA 1.464 0.266 0 CA-C-O 118.273 -0.87 . . . . 0.0 111.57 171.569 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 14' ' ' ALA . . . . . 0.583 ' O ' HG22 ' B' ' 18' ' ' VAL . . . -54.7 -48.97 71.81 Favored 'General case' 0 CA--C 1.534 0.35 0 CA-C-N 120.317 1.417 . . . . 0.0 111.917 179.778 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 4.2 mm? -56.25 -37.24 69.49 Favored 'General case' 0 N--CA 1.471 0.609 0 C-N-CA 123.647 0.779 . . . . 0.0 112.175 174.898 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 16' ' ' TYR . . . . . . . . . . . . . 84.7 t80 -63.12 -45.25 92.86 Favored 'General case' 0 CA--C 1.539 0.543 0 CA-C-N 119.109 0.868 . . . . 0.0 112.413 169.886 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 91.1 mt -66.95 -45.71 76.95 Favored 'General case' 0 CA--C 1.535 0.402 0 O-C-N 121.55 -0.719 . . . . 0.0 112.853 -176.632 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 18' ' ' VAL . . . . . 0.597 HG21 HD11 ' A' ' 16' ' ' LEU . 0.0 OUTLIER -70.28 -48.46 60.82 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.073 0 C-N-CA 122.939 0.496 . . . . 0.0 111.847 176.018 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' B' B ' 19' ' ' CYS . . . . . . . . . . . . . 7.9 t -120.83 -39.92 2.68 Favored 'General case' 0 N--CA 1.469 0.512 0 N-CA-C 114.26 1.207 . . . . 0.0 114.26 -163.41 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.475 1.257 0 O-C-N 121.17 -0.956 . . . . 0.0 113.753 -168.343 . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 9.0 tp . . . . . 0 N--CA 1.481 1.081 0 N-CA-C 114.45 1.278 . . . . 0.0 114.45 . . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 74.8 t -68.09 -47.71 77.43 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.089 0 CA-C-N 118.916 0.78 . . . . 0.0 110.501 -173.779 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 12.6 pm0 -70.25 9.13 0.63 Allowed 'General case' 0 CA--C 1.547 0.838 0 C-N-CA 124.638 1.175 . . . . 0.0 113.648 175.942 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 23.9 mm-40 -114.1 -64.98 1.23 Allowed 'General case' 0 CA--C 1.537 0.48 0 C-N-CA 124.805 1.242 . . . . 0.0 110.078 164.787 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 68.7 m -71.0 -32.84 69.76 Favored 'General case' 0 N--CA 1.474 0.751 0 N-CA-C 115.117 1.525 . . . . 0.0 115.117 -173.201 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 26.6 t -74.89 -28.46 60.65 Favored 'General case' 0 N--CA 1.477 0.886 0 O-C-N 121.127 -0.983 . . . . 0.0 113.344 179.637 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 6.9 t -99.5 -21.52 15.9 Favored 'General case' 0 N--CA 1.476 0.841 0 C-N-CA 125.088 1.355 . . . . 0.0 113.357 -177.738 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 94.5 p -156.02 169.43 24.48 Favored 'General case' 0 N--CA 1.468 0.468 0 C-N-CA 124.609 1.164 . . . . 0.0 112.605 -177.34 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 11.6 mt -76.02 122.59 30.4 Favored 'Isoleucine or valine' 0 C--O 1.234 0.258 0 O-C-N 121.388 -0.82 . . . . 0.0 111.254 -177.481 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 29.9 p -109.96 144.07 39.01 Favored 'General case' 0 CA--C 1.537 0.471 0 C-N-CA 125.219 1.408 . . . . 0.0 110.987 175.309 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 42.4 m -93.87 151.47 19.56 Favored 'General case' 0 N--CA 1.471 0.59 0 C-N-CA 123.597 0.759 . . . . 0.0 111.951 179.845 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 13' ' ' LEU . . . . . 0.478 ' H ' HD23 ' A' ' 13' ' ' LEU . 1.8 pt? -58.79 -39.58 81.51 Favored 'General case' 0 CA--C 1.531 0.231 0 O-C-N 121.305 -0.872 . . . . 0.0 111.967 -174.318 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 19.1 p90 -69.08 -12.56 61.8 Favored 'General case' 0 CA--C 1.536 0.416 0 C-N-CA 125.043 1.337 . . . . 0.0 114.264 -175.313 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 3.9 pt20 -114.84 -27.6 7.36 Favored 'General case' 0 CA--C 1.532 0.266 0 C-N-CA 124.064 0.946 . . . . 0.0 110.899 178.833 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -71.54 -29.59 64.93 Favored 'General case' 0 CA--C 1.547 0.848 0 CA-C-N 119.385 0.993 . . . . 0.0 111.795 176.917 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 33.7 mt-10 -49.7 -38.72 34.16 Favored 'General case' 0 N--CA 1.481 1.089 0 C-N-CA 124.607 1.163 . . . . 0.0 111.646 168.842 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 1.3 t-20 -62.65 -19.22 63.59 Favored 'General case' 0 CA--C 1.541 0.606 0 C-N-CA 125.155 1.382 . . . . 0.0 113.994 -172.927 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 73.0 m-85 -90.03 -9.2 49.45 Favored 'General case' 0 CA--C 1.543 0.708 0 C-N-CA 125.594 1.558 . . . . 0.0 113.577 177.948 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 36.3 t -69.2 -31.73 70.53 Favored 'General case' 0 N--CA 1.473 0.696 0 N-CA-C 113.368 0.877 . . . . 0.0 113.368 -176.2 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--O 1.252 1.21 0 C-N-CA 125.873 1.669 . . . . 0.0 113.135 178.736 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 1' ' ' PHE . . . . . . . . . . . . . 49.8 t80 . . . . . 0 N--CA 1.487 1.405 0 N-CA-C 110.657 -0.127 . . . . 0.0 110.657 . . . . . . . . . 0 0 . 1 . 017 nuclear build core ' B' B ' 2' ' ' VAL . . . . . . . . . . . . . 11.1 p -144.45 134.56 19.95 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.837 0 C-N-CA 124.88 1.272 . . . . 0.0 108.914 164.764 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 3' ' ' ASN . . . . . . . . . . . . . 9.5 m120 -63.32 111.71 2.39 Favored 'General case' 0 CA--C 1.54 0.576 0 C-N-CA 123.414 0.686 . . . . 0.0 109.554 175.548 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 4' ' ' GLN . . . . . . . . . . . . . 25.1 pt20 -155.4 179.98 8.65 Favored 'General case' 0 CA--C 1.535 0.381 0 C-N-CA 124.952 1.301 . . . . 0.0 110.961 -170.98 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 5' ' ' HIS . . . . . . . . . . . . . 76.7 m-70 -85.79 132.94 34.02 Favored 'General case' 0 CA--C 1.542 0.661 0 C-N-CA 124.119 0.968 . . . . 0.0 110.29 171.632 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 96.0 mt -133.03 129.57 38.27 Favored 'General case' 0 N--CA 1.469 0.496 0 C-N-CA 124.519 1.128 . . . . 0.0 110.635 -174.649 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 7' ' ' CYS . . . . . . . . . . . . . 2.8 t -154.32 146.22 23.5 Favored 'General case' 0 N--CA 1.468 0.442 0 C-N-CA 123.408 0.683 . . . . 0.0 111.606 -179.297 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 8' ' ' GLY . . . . . . . . . . . . . . . 58.62 -126.79 43.55 Favored Glycine 0 CA--C 1.529 0.966 0 C-N-CA 123.913 0.768 . . . . 0.0 112.159 -179.388 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 9' ' ' SER . . . . . . . . . . . . . 20.2 m -53.54 -40.04 65.17 Favored 'General case' 0 N--CA 1.469 0.507 0 C-N-CA 124.538 1.135 . . . . 0.0 112.675 178.005 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 10' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -62.79 -38.0 88.92 Favored 'General case' 0 N--CA 1.472 0.643 0 O-C-N 121.157 -0.964 . . . . 0.0 112.499 177.829 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 16.4 tp -71.93 -44.18 64.06 Favored 'General case' 0 CA--C 1.535 0.384 0 C-N-CA 124.282 1.033 . . . . 0.0 110.883 177.99 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 74.8 t -59.6 -43.68 91.6 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.028 0 C-N-CA 123.973 0.909 . . . . 0.0 111.148 173.567 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 24.5 mt-10 -59.58 -46.57 88.54 Favored 'General case' 0 N--CA 1.465 0.313 0 C-N-CA 124.151 0.981 . . . . 0.0 112.029 173.817 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -61.38 -48.75 79.85 Favored 'General case' 0 CA--C 1.531 0.249 0 CA-C-N 119.298 0.954 . . . . 0.0 111.684 177.47 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 3.8 mm? -55.77 -38.26 69.63 Favored 'General case' 0 N--CA 1.469 0.506 0 CA-C-N 118.906 0.775 . . . . 0.0 111.963 176.509 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 16' ' ' TYR . . . . . . . . . . . . . 88.1 t80 -61.18 -43.51 98.76 Favored 'General case' 0 CA--C 1.537 0.472 0 CA-C-N 119.486 1.039 . . . . 0.0 112.439 171.561 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 95.8 mt -69.42 -47.72 63.22 Favored 'General case' 0 CA--C 1.536 0.409 0 O-C-N 121.63 -0.669 . . . . 0.0 112.685 -178.739 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 18' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -78.79 -35.41 18.18 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.28 0 CA-C-N 118.722 0.692 . . . . 0.0 112.754 -177.279 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 19' ' ' CYS . . . . . . . . . . . . . 22.1 t -115.42 -45.58 2.91 Favored 'General case' 0 CA--C 1.538 0.506 0 N-CA-C 113.326 0.862 . . . . 0.0 113.326 -172.909 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.474 1.175 0 O-C-N 121.412 -0.805 . . . . 0.0 113.649 -170.951 . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 8.2 tp . . . . . 0 N--CA 1.482 1.137 0 N-CA-C 114.039 1.126 . . . . 0.0 114.039 . . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 90.2 t -62.16 -45.75 98.03 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.194 0 O-C-N 121.371 -0.83 . . . . 0.0 110.696 -175.064 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 15.9 pt-20 -71.69 3.5 4.0 Favored 'General case' 0 CA--C 1.545 0.787 0 N-CA-C 113.886 1.069 . . . . 0.0 113.886 177.725 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 22.2 mm-40 -120.01 -25.15 5.86 Favored 'General case' 0 CA--C 1.541 0.614 0 C-N-CA 124.263 1.025 . . . . 0.0 113.531 174.914 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 53.1 m -107.26 -29.38 9.35 Favored 'General case' 0 N--CA 1.478 0.973 0 N-CA-C 115.49 1.663 . . . . 0.0 115.49 176.387 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 48.8 t -81.67 -37.81 26.87 Favored 'General case' 0 N--CA 1.479 0.983 0 N-CA-C 113.928 1.084 . . . . 0.0 113.928 -177.865 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 9.6 t -80.09 -29.35 39.06 Favored 'General case' 0 N--CA 1.48 1.031 0 C-N-CA 124.897 1.279 . . . . 0.0 113.071 -178.348 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 94.0 p -160.35 167.43 27.42 Favored 'General case' 0 CA--C 1.536 0.436 0 C-N-CA 126.171 1.788 . . . . 0.0 110.752 -175.652 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 14.0 mt -72.81 129.14 36.02 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.515 0 O-C-N 121.568 -0.707 . . . . 0.0 111.952 -170.666 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 30.8 p -108.86 168.31 9.45 Favored 'General case' 0 CA--C 1.54 0.588 0 C-N-CA 125.302 1.441 . . . . 0.0 112.115 173.246 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 59.0 m -122.4 149.06 44.33 Favored 'General case' 0 N--CA 1.467 0.406 0 C-N-CA 124.189 0.995 . . . . 0.0 111.581 -177.25 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 13' ' ' LEU . . . . . 0.467 ' H ' HD23 ' A' ' 13' ' ' LEU . 2.0 pt? -55.88 -41.32 74.25 Favored 'General case' 0 N--CA 1.464 0.23 0 C-N-CA 124.067 0.947 . . . . 0.0 111.833 -173.14 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 14.9 p90 -67.12 -13.14 61.66 Favored 'General case' 0 CA--C 1.535 0.393 0 C-N-CA 125.139 1.376 . . . . 0.0 114.399 -175.075 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 14.6 pt20 -117.59 -28.59 6.0 Favored 'General case' 0 CA--C 1.532 0.276 0 C-N-CA 123.72 0.808 . . . . 0.0 111.181 178.778 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -70.61 -30.78 67.54 Favored 'General case' 0 CA--C 1.548 0.881 0 CA-C-N 119.302 0.955 . . . . 0.0 111.779 176.478 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 26.2 mt-10 -48.51 -39.52 23.53 Favored 'General case' 0 N--CA 1.481 1.095 0 C-N-CA 124.785 1.234 . . . . 0.0 111.649 169.924 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 1.7 t-20 -59.31 -28.32 66.68 Favored 'General case' 0 CA--C 1.542 0.644 0 C-N-CA 124.741 1.216 . . . . 0.0 113.441 -172.68 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 76.0 m-85 -80.16 -9.58 59.72 Favored 'General case' 0 CA--C 1.543 0.683 0 C-N-CA 125.495 1.518 . . . . 0.0 113.352 -179.15 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 12.6 t -71.47 -25.59 62.35 Favored 'General case' 0 CA--C 1.542 0.662 0 C-N-CA 123.76 0.824 . . . . 0.0 113.18 176.043 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 C--O 1.254 1.3 0 C-N-CA 125.801 1.64 . . . . 0.0 111.914 178.678 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 1' ' ' PHE . . . . . . . . . . . . . 68.9 t80 . . . . . 0 N--CA 1.487 1.39 0 CA-C-O 119.807 -0.14 . . . . 0.0 110.723 . . . . . . . . . 0 0 . 1 . 018 nuclear build core ' B' B ' 2' ' ' VAL . . . . . . . . . . . . . 90.9 t -132.12 122.44 48.68 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.93 0 C-N-CA 124.976 1.31 . . . . 0.0 108.348 170.192 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 3' ' ' ASN . . . . . . . . . . . . . 10.3 m120 -64.62 115.83 5.6 Favored 'General case' 0 CA--C 1.539 0.534 0 C-N-CA 123.665 0.786 . . . . 0.0 109.983 172.206 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 4' ' ' GLN . . . . . . . . . . . . . 13.4 pt20 -160.06 -179.97 8.23 Favored 'General case' 0 CA--C 1.536 0.429 0 C-N-CA 125.277 1.431 . . . . 0.0 110.439 -171.119 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 5' ' ' HIS . . . . . . . . . . . . . 75.6 m-70 -84.29 124.97 31.81 Favored 'General case' 0 CA--C 1.542 0.641 0 C-N-CA 123.696 0.798 . . . . 0.0 109.944 171.256 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 96.5 mt -126.22 129.56 49.2 Favored 'General case' 0 N--CA 1.468 0.464 0 C-N-CA 124.606 1.162 . . . . 0.0 110.538 -175.217 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 7' ' ' CYS . . . . . . . . . . . . . 1.3 t -152.75 146.25 24.95 Favored 'General case' 0 N--CA 1.468 0.428 0 C-N-CA 123.595 0.758 . . . . 0.0 111.324 -177.576 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 8' ' ' GLY . . . . . . . . . . . . . . . 57.01 -125.94 40.48 Favored Glycine 0 CA--C 1.529 0.944 0 C-N-CA 123.944 0.783 . . . . 0.0 112.705 179.143 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 9' ' ' SER . . . . . . . . . . . . . 8.7 t -55.4 -39.3 70.02 Favored 'General case' 0 N--CA 1.472 0.659 0 C-N-CA 123.88 0.872 . . . . 0.0 112.53 178.761 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 10' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -62.52 -37.26 85.37 Favored 'General case' 0 N--CA 1.474 0.768 0 O-C-N 120.758 -1.214 . . . . 0.0 112.503 177.096 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 17.7 tp -72.44 -43.43 63.8 Favored 'General case' 0 CA--C 1.535 0.399 0 C-N-CA 124.341 1.056 . . . . 0.0 110.96 177.837 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 76.4 t -59.65 -43.25 90.82 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.979 0 C-N-CA 123.931 0.892 . . . . 0.0 111.18 172.947 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 24.0 mt-10 -58.99 -46.77 87.34 Favored 'General case' 0 N--CA 1.466 0.347 0 C-N-CA 123.827 0.851 . . . . 0.0 112.085 173.373 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -60.62 -49.44 77.53 Favored 'General case' 0 CA--C 1.532 0.255 0 CA-C-N 119.327 0.967 . . . . 0.0 111.635 177.349 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 3.9 mm? -54.33 -38.97 66.61 Favored 'General case' 0 N--CA 1.471 0.602 0 CA-C-N 118.764 0.711 . . . . 0.0 111.857 176.553 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 16' ' ' TYR . . . . . . . . . . . . . 74.8 t80 -61.88 -43.33 99.06 Favored 'General case' 0 CA--C 1.538 0.487 0 CA-C-N 119.101 0.864 . . . . 0.0 112.548 172.175 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 95.3 mt -69.81 -45.65 67.44 Favored 'General case' 0 CA--C 1.536 0.411 0 O-C-N 121.238 -0.914 . . . . 0.0 112.944 -178.896 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 18' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -78.62 -35.98 19.28 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.333 0 CA-C-N 118.717 0.69 . . . . 0.0 112.463 -178.023 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 19' ' ' CYS . . . . . . . . . . . . . 31.4 t -114.45 -49.9 2.81 Favored 'General case' 0 CA--C 1.536 0.412 0 N-CA-C 113.801 1.037 . . . . 0.0 113.801 -175.038 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.476 1.339 0 N-CA-C 115.11 0.804 . . . . 0.0 115.11 -163.442 . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 7.4 tp . . . . . 0 N--CA 1.483 1.187 0 N-CA-C 114.305 1.224 . . . . 0.0 114.305 . . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 92.2 t -66.73 -44.2 89.58 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.14 0 O-C-N 120.986 -1.071 . . . . 0.0 110.725 -179.67 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 17.6 pt-20 -74.23 -4.55 36.68 Favored 'General case' 0 CA--C 1.547 0.856 0 N-CA-C 113.508 0.929 . . . . 0.0 113.508 174.102 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 11.2 tp60 -92.24 -44.04 8.97 Favored 'General case' 0 CA--C 1.54 0.577 0 C-N-CA 124.15 0.98 . . . . 0.0 111.581 170.467 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 98.4 m -114.37 -23.68 9.26 Favored 'General case' 0 N--CA 1.477 0.906 0 N-CA-C 116.61 2.078 . . . . 0.0 116.61 -168.845 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 42.2 t -85.74 -40.74 15.77 Favored 'General case' 0 N--CA 1.48 1.029 0 CA-C-N 119.603 1.092 . . . . 0.0 113.886 -178.464 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 6.9 t -75.99 -29.85 58.34 Favored 'General case' 0 N--CA 1.479 0.979 0 C-N-CA 124.766 1.226 . . . . 0.0 112.965 -179.481 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 83.7 p -159.24 168.13 27.25 Favored 'General case' 0 CA--C 1.535 0.393 0 C-N-CA 126.005 1.722 . . . . 0.0 110.789 -179.068 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 15.6 mt -73.55 127.19 35.29 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.51 0 O-C-N 121.613 -0.68 . . . . 0.0 111.687 -171.606 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 30.1 p -103.61 154.4 19.55 Favored 'General case' 0 CA--C 1.537 0.454 0 C-N-CA 124.836 1.255 . . . . 0.0 111.902 171.339 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 69.1 m -94.1 153.25 18.23 Favored 'General case' 0 N--CA 1.47 0.548 0 CA-C-O 121.612 0.72 . . . . 0.0 112.161 170.988 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 13' ' ' LEU . . . . . 0.584 ' H ' HD23 ' A' ' 13' ' ' LEU . 1.7 pt? -58.67 -40.92 84.89 Favored 'General case' 0 N--CA 1.465 0.291 0 O-C-N 121.405 -0.809 . . . . 0.0 112.116 -177.296 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 22.8 p90 -68.17 -14.69 63.17 Favored 'General case' 0 CA--C 1.536 0.42 0 N-CA-C 114.235 1.198 . . . . 0.0 114.235 -173.974 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 3.5 pt20 -109.86 -29.43 8.29 Favored 'General case' 0 C--O 1.223 -0.335 0 C-N-CA 124.034 0.933 . . . . 0.0 110.676 177.6 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 16' ' ' LEU . . . . . 0.511 HD11 HG21 ' B' ' 18' ' ' VAL . 0.3 OUTLIER -70.27 -28.74 65.46 Favored 'General case' 0 CA--C 1.548 0.895 0 CA-C-N 119.802 1.183 . . . . 0.0 111.891 175.547 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 28.8 mt-10 -49.41 -36.48 22.26 Favored 'General case' 0 N--CA 1.48 1.026 0 C-N-CA 124.655 1.182 . . . . 0.0 112.066 170.411 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 5.6 m120 -60.06 -25.88 65.71 Favored 'General case' 0 CA--C 1.542 0.661 0 C-N-CA 124.981 1.313 . . . . 0.0 112.811 -173.433 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 84.1 m-85 -86.81 -6.42 58.82 Favored 'General case' 0 CA--C 1.542 0.649 0 C-N-CA 125.983 1.713 . . . . 0.0 113.55 -176.597 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 17.2 t -70.25 -25.84 63.56 Favored 'General case' 0 CA--C 1.545 0.778 0 C-N-CA 123.719 0.808 . . . . 0.0 113.021 173.647 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 C--O 1.252 1.227 0 C-N-CA 126.1 1.76 . . . . 0.0 111.823 177.107 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 1' ' ' PHE . . . . . . . . . . . . . 47.9 t80 . . . . . 0 N--CA 1.487 1.415 0 CA-C-O 119.562 -0.256 . . . . 0.0 110.649 . . . . . . . . . 0 0 . 1 . 019 nuclear build core ' B' B ' 2' ' ' VAL . . . . . . . . . . . . . 89.3 t -132.15 118.41 36.58 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.986 0 C-N-CA 124.794 1.238 . . . . 0.0 109.128 173.654 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 3' ' ' ASN . . . . . . . . . . . . . 72.4 m-20 -64.28 123.78 20.02 Favored 'General case' 0 CA--C 1.538 0.511 0 CA-C-O 121.158 0.504 . . . . 0.0 110.201 167.491 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 4' ' ' GLN . . . . . . . . . . . . . 11.5 pt20 -161.98 -176.43 5.19 Favored 'General case' 0 CA--C 1.536 0.423 0 C-N-CA 125.56 1.544 . . . . 0.0 109.815 -171.951 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 5' ' ' HIS . . . . . . . . . . . . . 82.4 m-70 -84.89 122.64 29.47 Favored 'General case' 0 CA--C 1.541 0.633 0 C-N-CA 123.552 0.741 . . . . 0.0 110.168 171.515 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 97.2 mt -127.57 128.81 46.24 Favored 'General case' 0 N--CA 1.468 0.468 0 C-N-CA 124.699 1.2 . . . . 0.0 110.861 -172.923 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 7' ' ' CYS . . . . . . . . . . . . . 0.4 OUTLIER -151.19 149.13 29.08 Favored 'General case' 0 N--CA 1.468 0.453 0 C-N-CA 124.117 0.967 . . . . 0.0 111.236 -178.291 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 8' ' ' GLY . . . . . . . . . . . . . . . 58.16 -127.56 45.41 Favored Glycine 0 N--CA 1.472 1.073 0 C-N-CA 123.879 0.752 . . . . 0.0 112.693 178.694 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 9' ' ' SER . . . . . . . . . . . . . 9.0 t -53.7 -42.83 68.44 Favored 'General case' 0 N--CA 1.473 0.715 0 C-N-CA 123.544 0.738 . . . . 0.0 111.941 176.767 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 10' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -59.9 -35.95 75.94 Favored 'General case' 0 N--CA 1.473 0.679 0 O-C-N 121.157 -0.964 . . . . 0.0 112.655 179.355 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 18.1 tp -73.95 -45.0 53.04 Favored 'General case' 0 CA--C 1.536 0.421 0 C-N-CA 124.177 0.991 . . . . 0.0 111.203 178.41 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 92.9 t -60.78 -41.54 88.89 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.114 0 C-N-CA 123.857 0.863 . . . . 0.0 111.198 173.601 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 21.3 mt-10 -59.45 -47.97 83.45 Favored 'General case' 0 N--CA 1.464 0.244 0 C-N-CA 125.013 1.325 . . . . 0.0 111.787 173.235 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -60.66 -47.82 84.53 Favored 'General case' 0 CA--C 1.531 0.24 0 CA-C-N 119.383 0.992 . . . . 0.0 111.695 176.799 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 3.8 mm? -54.52 -39.28 67.46 Favored 'General case' 0 N--CA 1.469 0.489 0 CA-C-N 118.729 0.695 . . . . 0.0 111.779 176.161 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 16' ' ' TYR . . . . . . . . . . . . . 75.8 t80 -62.39 -44.12 97.21 Favored 'General case' 0 CA--C 1.539 0.552 0 CA-C-N 119.049 0.841 . . . . 0.0 112.444 171.779 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 95.9 mt -68.69 -37.52 79.62 Favored 'General case' 0 CA--C 1.538 0.497 0 N-CA-C 113.365 0.876 . . . . 0.0 113.365 -178.844 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 18' ' ' VAL . . . . . 0.511 HG21 HD11 ' A' ' 16' ' ' LEU . 0.0 OUTLIER -83.32 -40.0 15.76 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.338 0 CA-C-N 118.972 0.805 . . . . 0.0 112.436 178.95 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' B' B ' 19' ' ' CYS . . . . . . . . . . . . . 19.5 t -106.76 -47.31 3.76 Favored 'General case' 0 CA--C 1.54 0.589 0 N-CA-C 114.031 1.123 . . . . 0.0 114.031 -172.381 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.474 1.202 0 C-N-CA 124.43 1.014 . . . . 0.0 113.482 -166.567 . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 7.6 tp . . . . . 0 N--CA 1.48 1.073 0 N-CA-C 114.466 1.284 . . . . 0.0 114.466 . . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 74.3 t -64.86 -49.67 78.84 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.155 0 CA-C-N 119.869 1.213 . . . . 0.0 110.441 -175.133 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 12.4 pm0 -70.05 2.18 3.86 Favored 'General case' 0 CA--C 1.546 0.802 0 C-N-CA 124.552 1.141 . . . . 0.0 113.771 175.995 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 12.4 tp60 -101.51 -61.84 1.33 Allowed 'General case' 0 CA--C 1.538 0.494 0 C-N-CA 124.029 0.932 . . . . 0.0 110.606 163.183 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 1.8 t -89.38 -22.04 22.78 Favored 'General case' 0 CA--C 1.542 0.651 0 N-CA-C 114.995 1.48 . . . . 0.0 114.995 -164.854 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 26.4 t -75.04 -26.71 59.65 Favored 'General case' 0 N--CA 1.476 0.862 0 O-C-N 121.149 -0.969 . . . . 0.0 113.328 172.942 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 7.5 t -96.12 -33.74 11.96 Favored 'General case' 0 N--CA 1.476 0.863 0 C-N-CA 124.953 1.301 . . . . 0.0 113.045 -178.451 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 91.8 p -151.04 170.74 18.64 Favored 'General case' 0 N--CA 1.47 0.531 0 C-N-CA 125.095 1.358 . . . . 0.0 111.46 -179.255 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 15.9 mt -72.84 127.0 34.49 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.68 0 O-C-N 120.399 -1.438 . . . . 0.0 111.807 -171.097 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 15.4 p -105.54 148.99 26.65 Favored 'General case' 0 CA--C 1.538 0.483 0 C-N-CA 123.839 0.855 . . . . 0.0 112.039 166.218 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 50.8 m -103.43 155.96 18.11 Favored 'General case' 0 N--CA 1.471 0.583 0 C-N-CA 124.486 1.114 . . . . 0.0 112.144 175.583 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 13' ' ' LEU . . . . . 0.538 ' H ' HD23 ' A' ' 13' ' ' LEU . 1.5 pt? -58.7 -40.03 82.45 Favored 'General case' 0 CA--C 1.531 0.239 0 O-C-N 121.224 -0.923 . . . . 0.0 112.352 -172.827 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 21.6 p90 -68.38 -13.92 62.63 Favored 'General case' 0 CA--C 1.536 0.418 0 C-N-CA 125.133 1.373 . . . . 0.0 114.188 -174.13 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 3.9 pt20 -116.53 -24.74 7.69 Favored 'General case' 0 CA--C 1.535 0.389 0 C-N-CA 124.638 1.175 . . . . 0.0 111.313 179.67 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 16' ' ' LEU . . . . . 0.421 HD11 HG21 ' B' ' 18' ' ' VAL . 0.3 OUTLIER -75.09 -28.75 60.42 Favored 'General case' 0 CA--C 1.545 0.753 0 CA-C-N 119.344 0.975 . . . . 0.0 112.151 176.931 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 35.7 mt-10 -53.27 -34.97 59.44 Favored 'General case' 0 N--CA 1.481 1.092 0 C-N-CA 123.843 0.857 . . . . 0.0 111.678 170.939 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 1.7 t-20 -57.03 -27.99 62.11 Favored 'General case' 0 CA--C 1.544 0.713 0 C-N-CA 124.533 1.133 . . . . 0.0 113.233 -177.501 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 87.8 m-85 -82.82 -11.68 58.05 Favored 'General case' 0 CA--C 1.542 0.662 0 C-N-CA 125.655 1.582 . . . . 0.0 113.665 179.186 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 11.4 t -74.01 -24.6 59.6 Favored 'General case' 0 CA--C 1.544 0.749 0 C-N-CA 123.87 0.868 . . . . 0.0 112.912 177.042 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 C--O 1.253 1.285 0 C-N-CA 126.19 1.796 . . . . 0.0 111.989 177.538 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 1' ' ' PHE . . . . . . . . . . . . . 48.1 t80 . . . . . 0 N--CA 1.487 1.411 0 CA-C-O 119.387 -0.34 . . . . 0.0 110.439 . . . . . . . . . 0 0 . 1 . 020 nuclear build core ' B' B ' 2' ' ' VAL . . . . . . . . . . . . . 3.5 m -129.83 118.84 45.89 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.032 0 C-N-CA 124.802 1.241 . . . . 0.0 110.664 173.847 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 3' ' ' ASN . . . . . . . . . . . . . 85.2 m-20 -79.83 111.3 16.02 Favored 'General case' 0 CA--C 1.536 0.429 0 N-CA-C 109.048 -0.723 . . . . 0.0 109.048 171.874 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 4' ' ' GLN . . . . . . . . . . . . . 9.3 pt20 -161.74 -177.98 6.22 Favored 'General case' 0 CA--C 1.534 0.332 0 C-N-CA 125.354 1.461 . . . . 0.0 110.847 -175.173 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 5' ' ' HIS . . . . . . . . . . . . . 58.3 m80 -72.76 135.37 45.29 Favored 'General case' 0 CA--C 1.541 0.606 0 C-N-CA 124.042 0.937 . . . . 0.0 109.569 168.487 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 92.3 mt -140.73 135.2 31.31 Favored 'General case' 0 N--CA 1.468 0.43 0 C-N-CA 124.794 1.238 . . . . 0.0 109.828 -175.981 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 7' ' ' CYS . . . . . . . . . . . . . 2.0 t -155.75 146.16 21.82 Favored 'General case' 0 N--CA 1.468 0.473 0 C-N-CA 123.233 0.613 . . . . 0.0 111.657 -177.619 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 8' ' ' GLY . . . . . . . . . . . . . . . 58.32 -127.28 44.76 Favored Glycine 0 CA--C 1.529 0.936 0 C-N-CA 123.815 0.721 . . . . 0.0 112.053 -178.656 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 9' ' ' SER . . . . . . . . . . . . . 20.1 m -53.18 -40.05 64.09 Favored 'General case' 0 N--CA 1.47 0.533 0 C-N-CA 124.621 1.168 . . . . 0.0 112.704 178.307 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 10' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -63.08 -36.93 85.22 Favored 'General case' 0 CA--C 1.542 0.656 0 O-C-N 121.203 -0.936 . . . . 0.0 112.6 178.442 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 15.1 tp -74.16 -43.33 57.79 Favored 'General case' 0 CA--C 1.536 0.415 0 C-N-CA 124.395 1.078 . . . . 0.0 110.923 177.856 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 71.2 t -59.53 -43.51 90.98 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.082 0 C-N-CA 123.971 0.908 . . . . 0.0 111.163 173.195 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 25.3 mt-10 -59.15 -46.93 87.09 Favored 'General case' 0 N--CA 1.466 0.363 0 C-N-CA 124.208 1.003 . . . . 0.0 111.947 173.37 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -60.68 -48.22 82.77 Favored 'General case' 0 CA--C 1.534 0.354 0 CA-C-N 119.169 0.895 . . . . 0.0 111.992 177.344 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 3.9 mm? -56.58 -38.13 71.54 Favored 'General case' 0 N--CA 1.469 0.518 0 CA-C-N 118.692 0.678 . . . . 0.0 111.893 176.241 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 16' ' ' TYR . . . . . . . . . . . . . 83.8 t80 -61.33 -46.76 88.91 Favored 'General case' 0 CA--C 1.536 0.41 0 CA-C-N 119.179 0.899 . . . . 0.0 112.08 171.034 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 96.8 mt -62.34 -49.18 76.62 Favored 'General case' 0 CA--C 1.537 0.447 0 CA-C-N 118.675 0.671 . . . . 0.0 112.273 -179.605 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 18' ' ' VAL . . . . . 0.421 HG21 HD11 ' A' ' 16' ' ' LEU . 0.0 OUTLIER -77.68 -41.24 28.55 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.185 0 CA-C-N 118.521 0.601 . . . . 0.0 112.525 -176.097 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' B' B ' 19' ' ' CYS . . . . . . . . . . . . . 18.0 t -110.77 -39.2 4.92 Favored 'General case' 0 CA--C 1.541 0.609 0 N-CA-C 114.101 1.149 . . . . 0.0 114.101 -169.723 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.476 1.304 0 C-N-CA 123.89 0.757 . . . . 0.0 114.03 -170.014 . . . . . . . . 0 0 . 1 . 021 nuclear build core ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 6.8 tp . . . . . 0 N--CA 1.485 1.324 0 N-CA-C 114.121 1.156 . . . . 0.0 114.121 . . . . . . . . . 0 0 . 1 . 021 nuclear build core ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 93.5 t -58.71 -36.22 59.37 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.977 0 C-N-CA 123.96 0.904 . . . . 0.0 111.07 176.287 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 37.9 mt-10 -77.93 0.58 23.65 Favored 'General case' 0 CA--C 1.543 0.706 0 C-N-CA 124.455 1.102 . . . . 0.0 112.947 179.255 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 18.3 tp60 -111.02 -50.11 2.97 Favored 'General case' 0 CA--C 1.536 0.426 0 C-N-CA 124.497 1.119 . . . . 0.0 111.147 169.475 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 1.6 t -100.18 -21.88 15.37 Favored 'General case' 0 N--CA 1.471 0.595 0 N-CA-C 115.307 1.595 . . . . 0.0 115.307 -167.549 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 18.6 t -79.65 -29.86 41.09 Favored 'General case' 0 N--CA 1.477 0.908 0 O-C-N 120.954 -1.091 . . . . 0.0 112.735 169.891 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 5.8 t -82.41 -33.19 28.75 Favored 'General case' 0 N--CA 1.475 0.79 0 C-N-CA 124.745 1.218 . . . . 0.0 112.823 176.912 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 4.9 t -153.17 -171.71 4.01 Favored 'General case' 0 CA--C 1.543 0.709 0 C-N-CA 124.364 1.066 . . . . 0.0 112.651 -174.94 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 31.4 mm -63.39 138.63 22.63 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.572 0 O-C-N 120.87 -1.144 . . . . 0.0 110.528 173.464 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 14.5 p -126.83 150.69 49.06 Favored 'General case' 0 N--CA 1.469 0.515 0 CA-C-O 121.984 0.897 . . . . 0.0 112.796 155.976 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 20.1 m -107.74 152.97 23.64 Favored 'General case' 0 N--CA 1.469 0.504 0 C-N-CA 125.222 1.409 . . . . 0.0 111.576 176.718 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 13' ' ' LEU . . . . . 0.524 ' H ' HD23 ' A' ' 13' ' ' LEU . 1.8 pt? -57.78 -40.88 80.89 Favored 'General case' 0 N--CA 1.463 0.224 0 O-C-N 121.433 -0.792 . . . . 0.0 111.875 -172.331 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 22.3 p90 -67.42 -13.31 61.91 Favored 'General case' 0 CA--C 1.537 0.459 0 C-N-CA 125.112 1.365 . . . . 0.0 114.569 -174.992 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 3.9 pt20 -117.43 -24.82 7.21 Favored 'General case' 0 CA--C 1.535 0.385 0 C-N-CA 124.357 1.063 . . . . 0.0 111.06 179.734 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 16' ' ' LEU . . . . . 0.482 HD11 HG21 ' B' ' 18' ' ' VAL . 0.2 OUTLIER -76.05 -28.66 57.73 Favored 'General case' 0 CA--C 1.549 0.931 0 CA-C-N 118.946 0.793 . . . . 0.0 111.459 173.935 . . . . . . . . 3 3 . 1 . 021 nuclear build core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 31.6 mt-10 -50.7 -32.26 18.92 Favored 'General case' 0 N--CA 1.481 1.11 0 C-N-CA 125.044 1.338 . . . . 0.0 112.013 167.072 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 1.2 t-20 -62.82 -23.97 67.53 Favored 'General case' 0 CA--C 1.542 0.657 0 C-N-CA 124.176 0.99 . . . . 0.0 112.967 -176.748 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 79.2 m-85 -84.29 -1.14 54.81 Favored 'General case' 0 CA--C 1.547 0.856 0 C-N-CA 125.907 1.683 . . . . 0.0 113.013 177.614 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 11.7 t -72.2 -23.24 61.23 Favored 'General case' 0 CA--C 1.546 0.81 0 C-N-CA 125.095 1.358 . . . . 0.0 112.923 168.54 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 35.2 m120 . . . . . 0 C--O 1.253 1.259 0 C-N-CA 125.669 1.588 . . . . 0.0 113.535 178.395 . . . . . . . . 0 0 . 1 . 021 nuclear build core ' B' B ' 1' ' ' PHE . . . . . . . . . . . . . 41.4 t80 . . . . . 0 N--CA 1.487 1.386 0 CA-C-O 119.734 -0.174 . . . . 0.0 110.639 . . . . . . . . . 0 0 . 1 . 021 nuclear build core ' B' B ' 2' ' ' VAL . . . . . . . . . . . . . 84.3 t -130.31 123.38 55.53 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.997 0 C-N-CA 124.843 1.257 . . . . 0.0 108.456 171.127 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' B' B ' 3' ' ' ASN . . . . . . . . . . . . . 60.3 m-20 -68.14 118.21 10.98 Favored 'General case' 0 CA--C 1.536 0.408 0 C-N-CA 123.639 0.775 . . . . 0.0 109.506 177.038 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' B' B ' 4' ' ' GLN . . . . . . . . . . . . . 11.7 pt20 -159.17 179.5 8.96 Favored 'General case' 0 CA--C 1.535 0.39 0 CA-C-O 121.243 0.544 . . . . 0.0 112.104 -165.848 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' B' B ' 5' ' ' HIS . . . . . . . . . . . . . 73.6 m80 -81.52 128.58 34.05 Favored 'General case' 0 CA--C 1.547 0.835 0 C-N-CA 124.459 1.104 . . . . 0.0 110.109 168.574 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 89.9 mt -135.21 137.93 43.12 Favored 'General case' 0 N--CA 1.471 0.615 0 C-N-CA 125.063 1.345 . . . . 0.0 110.701 -176.841 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' B' B ' 7' ' ' CYS . . . . . . . . . . . . . 2.5 t -155.68 148.05 23.76 Favored 'General case' 0 N--CA 1.469 0.51 0 O-C-N 121.558 -0.714 . . . . 0.0 111.834 179.142 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' B' B ' 8' ' ' GLY . . . . . . . . . . . . . . . 60.22 -129.59 47.84 Favored Glycine 0 CA--C 1.529 0.909 0 C-N-CA 123.859 0.742 . . . . 0.0 112.133 -179.181 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' B' B ' 9' ' ' SER . . . . . . . . . . . . . 20.3 m -53.81 -38.14 64.26 Favored 'General case' 0 N--CA 1.47 0.563 0 C-N-CA 124.575 1.15 . . . . 0.0 112.792 179.082 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' B' B ' 10' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -63.24 -38.97 93.24 Favored 'General case' 0 CA--C 1.542 0.638 0 O-C-N 121.24 -0.913 . . . . 0.0 112.568 177.342 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 14.8 tp -72.18 -43.11 65.03 Favored 'General case' 0 CA--C 1.535 0.369 0 C-N-CA 124.276 1.03 . . . . 0.0 110.823 177.332 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 73.4 t -60.43 -42.76 92.26 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.988 0 C-N-CA 123.798 0.839 . . . . 0.0 111.292 174.219 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 16.8 mt-10 -60.46 -43.25 97.07 Favored 'General case' 0 N--CA 1.469 0.501 0 C-N-CA 123.984 0.914 . . . . 0.0 112.455 173.938 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -62.5 -50.85 69.77 Favored 'General case' 0 CA--C 1.536 0.413 0 CA-C-N 118.702 0.683 . . . . 0.0 111.14 174.863 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 4.1 mm? -57.23 -34.79 68.93 Favored 'General case' 0 N--CA 1.47 0.558 0 CA-C-N 119.088 0.858 . . . . 0.0 112.182 176.902 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' B' B ' 16' ' ' TYR . . . . . . . . . . . . . 57.8 t80 -59.46 -40.36 86.62 Favored 'General case' 0 CA--C 1.54 0.567 0 CA-C-N 120.901 1.682 . . . . 0.0 112.532 171.432 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 87.0 mt -77.52 -37.43 50.98 Favored 'General case' 0 CA--C 1.539 0.54 0 N-CA-C 113.471 0.915 . . . . 0.0 113.471 -178.523 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' B' B ' 18' ' ' VAL . . . . . 0.482 HG21 HD11 ' A' ' 16' ' ' LEU . 0.1 OUTLIER -94.13 -27.76 4.34 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.557 0 N-CA-C 114.783 1.401 . . . . 0.0 114.783 -178.84 . . . . . . . . 3 3 . 1 . 021 nuclear build core ' B' B ' 19' ' ' CYS . . . . . . . . . . . . . 52.5 t -114.94 -41.5 3.34 Favored 'General case' 0 N--CA 1.475 0.802 0 C-N-CA 124.442 1.097 . . . . 0.0 112.826 -177.575 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.474 1.2 0 C-N-CA 123.703 0.668 . . . . 0.0 112.739 -174.452 . . . . . . . . 0 0 . 1 . 022 nuclear build core ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 6.3 tp . . . . . 0 N--CA 1.484 1.231 0 N-CA-C 113.98 1.104 . . . . 0.0 113.98 . . . . . . . . . 0 0 . 1 . 022 nuclear build core ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 95.9 t -62.4 -33.5 59.51 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.972 0 C-N-CA 123.665 0.786 . . . . 0.0 111.198 176.961 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 44.0 mt-10 -77.12 -9.2 58.59 Favored 'General case' 0 CA--C 1.543 0.707 0 C-N-CA 124.029 0.932 . . . . 0.0 112.734 177.595 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 8.2 tp-100 -95.59 -47.71 6.11 Favored 'General case' 0 CA--C 1.538 0.481 0 C-N-CA 124.695 1.198 . . . . 0.0 110.527 172.815 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 63.0 m -103.11 -29.51 11.29 Favored 'General case' 0 N--CA 1.47 0.545 0 N-CA-C 116.158 1.91 . . . . 0.0 116.158 -166.947 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 16.6 t -79.42 -26.84 41.78 Favored 'General case' 0 N--CA 1.478 0.972 0 CA-C-N 119.282 0.946 . . . . 0.0 113.153 178.113 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 5.9 t -75.6 -34.77 60.63 Favored 'General case' 0 N--CA 1.476 0.827 0 C-N-CA 125.01 1.324 . . . . 0.0 113.103 -179.623 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 5.0 t -165.26 -172.38 2.49 Favored 'General case' 0 CA--C 1.543 0.684 0 C-N-CA 124.785 1.234 . . . . 0.0 112.072 -170.69 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 33.6 mm -58.29 128.98 19.74 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.623 0 C-N-CA 124.3 1.04 . . . . 0.0 110.531 172.674 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 15.6 p -125.64 150.03 47.93 Favored 'General case' 0 N--CA 1.469 0.494 0 C-N-CA 123.347 0.659 . . . . 0.0 112.096 165.036 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 50.9 m -106.54 153.33 22.48 Favored 'General case' 0 N--CA 1.471 0.587 0 C-N-CA 125.025 1.33 . . . . 0.0 112.449 -179.219 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 13' ' ' LEU . . . . . 0.533 ' H ' HD23 ' A' ' 13' ' ' LEU . 1.9 pt? -58.12 -40.19 80.6 Favored 'General case' 0 CA--C 1.53 0.2 0 C-N-CA 124.023 0.929 . . . . 0.0 112.106 -175.696 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 18.0 p90 -68.51 -13.33 62.25 Favored 'General case' 0 CA--C 1.536 0.433 0 C-N-CA 124.8 1.24 . . . . 0.0 114.329 -175.35 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 3.4 pt20 -114.62 -22.57 9.69 Favored 'General case' 0 C--O 1.223 -0.295 0 C-N-CA 124.043 0.937 . . . . 0.0 111.555 177.867 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 16' ' ' LEU . . . . . 0.476 HD11 HG21 ' B' ' 18' ' ' VAL . 0.3 OUTLIER -80.83 -25.77 37.54 Favored 'General case' 0 CA--C 1.548 0.87 0 CA-C-N 119.279 0.945 . . . . 0.0 111.805 175.96 . . . . . . . . 3 3 . 1 . 022 nuclear build core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 20.1 mt-10 -54.05 -27.7 34.01 Favored 'General case' 0 N--CA 1.48 1.031 0 C-N-CA 124.144 0.977 . . . . 0.0 112.352 166.903 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 83.3 m-20 -64.12 -17.01 63.04 Favored 'General case' 0 CA--C 1.541 0.601 0 C-N-CA 123.912 0.885 . . . . 0.0 113.132 -176.202 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 77.7 m-85 -96.68 1.03 50.62 Favored 'General case' 0 CA--C 1.549 0.926 0 C-N-CA 126.87 2.068 . . . . 0.0 112.993 179.05 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 47.7 t -71.2 -30.11 65.99 Favored 'General case' 0 N--CA 1.474 0.725 0 C-N-CA 125.521 1.528 . . . . 0.0 113.473 176.577 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--O 1.253 1.267 0 C-N-CA 125.958 1.703 . . . . 0.0 113.239 179.154 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' B' B ' 1' ' ' PHE . . . . . . . . . . . . . 21.8 t80 . . . . . 0 N--CA 1.487 1.409 0 CA-C-O 119.625 -0.226 . . . . 0.0 110.504 . . . . . . . . . 0 0 . 1 . 022 nuclear build core ' B' B ' 2' ' ' VAL . . . . . . . . . . . . . 17.8 m -134.79 139.23 47.93 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.054 0 C-N-CA 124.55 1.14 . . . . 0.0 109.988 166.189 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' B' B ' 3' ' ' ASN . . . . . . . . . . . . . 5.2 p30 -61.62 129.83 42.99 Favored 'General case' 0 CA--C 1.535 0.375 0 CA-C-O 120.707 0.289 . . . . 0.0 110.236 166.021 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' B' B ' 4' ' ' GLN . . . . . . . . . . . . . 20.4 pt20 -163.11 174.97 11.53 Favored 'General case' 0 CA--C 1.532 0.27 0 CA-C-O 121.531 0.682 . . . . 0.0 111.144 -169.464 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' B' B ' 5' ' ' HIS . . . . . . . . . . . . . 77.6 m80 -77.56 127.41 32.45 Favored 'General case' 0 CA--C 1.543 0.69 0 C-N-CA 124.063 0.945 . . . . 0.0 110.046 169.07 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 89.8 mt -135.19 129.3 33.53 Favored 'General case' 0 N--CA 1.471 0.597 0 C-N-CA 124.181 0.992 . . . . 0.0 111.037 -176.766 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' B' B ' 7' ' ' CYS . . . . . . . . . . . . . 2.1 t -155.23 146.38 22.7 Favored 'General case' 0 N--CA 1.469 0.481 0 C-N-CA 123.472 0.709 . . . . 0.0 111.313 178.811 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' B' B ' 8' ' ' GLY . . . . . . . . . . . . . . . 60.52 -128.08 44.77 Favored Glycine 0 CA--C 1.53 0.998 0 C-N-CA 123.783 0.706 . . . . 0.0 112.423 -178.753 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' B' B ' 9' ' ' SER . . . . . . . . . . . . . 8.6 t -55.5 -38.83 69.69 Favored 'General case' 0 N--CA 1.472 0.663 0 C-N-CA 123.9 0.88 . . . . 0.0 112.55 179.548 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' B' B ' 10' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -61.6 -39.77 92.42 Favored 'General case' 0 N--CA 1.473 0.702 0 O-C-N 120.959 -1.088 . . . . 0.0 112.461 176.411 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 17.8 tp -69.52 -44.73 70.42 Favored 'General case' 0 CA--C 1.533 0.316 0 C-N-CA 124.03 0.932 . . . . 0.0 110.777 177.684 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 82.2 t -59.78 -42.72 89.79 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.002 0 C-N-CA 123.662 0.785 . . . . 0.0 111.213 174.738 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 19.3 mt-10 -60.46 -45.94 91.89 Favored 'General case' 0 N--CA 1.468 0.428 0 C-N-CA 123.689 0.796 . . . . 0.0 112.379 173.747 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -62.62 -47.52 83.39 Favored 'General case' 0 CA--C 1.533 0.294 0 CA-C-N 119.184 0.902 . . . . 0.0 111.527 177.153 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -58.97 -35.17 72.73 Favored 'General case' 0 N--CA 1.466 0.357 0 CA-C-O 118.43 -0.795 . . . . 0.0 111.627 176.668 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' B' B ' 16' ' ' TYR . . . . . . . . . . . . . 87.4 t80 -60.44 -41.65 94.48 Favored 'General case' 0 CA--C 1.538 0.488 0 CA-C-N 121.047 1.749 . . . . 0.0 112.394 170.887 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 94.6 mt -70.44 -47.08 62.41 Favored 'General case' 0 CA--C 1.54 0.583 0 CA-C-O 118.882 -0.58 . . . . 0.0 112.426 -179.7 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' B' B ' 18' ' ' VAL . . . . . 0.476 HG21 HD11 ' A' ' 16' ' ' LEU . 0.0 OUTLIER -84.94 -35.59 10.21 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.509 0 N-CA-C 113.905 1.076 . . . . 0.0 113.905 -176.85 . . . . . . . . 3 3 . 1 . 022 nuclear build core ' B' B ' 19' ' ' CYS . . . . . . . . . . . . . 52.2 t -108.08 -42.5 4.64 Favored 'General case' 0 N--CA 1.471 0.595 0 C-N-CA 124.491 1.116 . . . . 0.0 112.625 -175.182 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.47 0.953 0 C-N-CA 123.894 0.759 . . . . 0.0 112.705 -175.339 . . . . . . . . 0 0 . 1 . 023 nuclear build core ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 7.0 tp . . . . . 0 N--CA 1.484 1.264 0 N-CA-C 113.718 1.007 . . . . 0.0 113.718 . . . . . . . . . 0 0 . 1 . 023 nuclear build core ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 88.3 t -61.59 -33.17 56.05 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.882 0 C-N-CA 124.164 0.985 . . . . 0.0 111.261 179.03 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 43.8 mt-10 -76.79 -7.31 55.17 Favored 'General case' 0 CA--C 1.542 0.664 0 C-N-CA 124.078 0.951 . . . . 0.0 112.916 179.304 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 10.6 tp60 -105.51 -44.77 4.61 Favored 'General case' 0 CA--C 1.538 0.504 0 C-N-CA 124.307 1.043 . . . . 0.0 111.385 172.372 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 60.0 m -93.16 -34.08 13.76 Favored 'General case' 0 N--CA 1.472 0.653 0 N-CA-C 115.632 1.716 . . . . 0.0 115.632 -172.694 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 10.9 t -78.63 -24.47 45.26 Favored 'General case' 0 N--CA 1.477 0.882 0 N-CA-C 113.349 0.87 . . . . 0.0 113.349 -179.706 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 5.5 t -81.39 -33.88 31.99 Favored 'General case' 0 N--CA 1.475 0.817 0 C-N-CA 124.916 1.286 . . . . 0.0 113.29 179.673 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 5.5 t -163.62 -173.13 3.16 Favored 'General case' 0 CA--C 1.543 0.696 0 C-N-CA 124.513 1.125 . . . . 0.0 112.243 -169.823 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 34.3 mm -60.15 126.41 17.9 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.647 0 O-C-N 121.326 -0.858 . . . . 0.0 109.662 171.481 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 23.2 p -116.81 152.35 34.59 Favored 'General case' 0 N--CA 1.467 0.397 0 CA-C-O 121.521 0.677 . . . . 0.0 112.082 166.793 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 15.5 m -106.75 148.23 28.69 Favored 'General case' 0 N--CA 1.467 0.403 0 C-N-CA 123.773 0.829 . . . . 0.0 112.336 -174.286 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 13' ' ' LEU . . . . . 0.53 ' H ' HD23 ' A' ' 13' ' ' LEU . 1.9 pt? -56.51 -40.47 75.05 Favored 'General case' 0 N--CA 1.466 0.37 0 O-C-N 121.537 -0.727 . . . . 0.0 111.838 -175.732 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 15.5 p90 -67.42 -13.61 62.18 Favored 'General case' 0 CA--C 1.535 0.401 0 N-CA-C 114.709 1.374 . . . . 0.0 114.709 -175.662 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 3.0 pt20 -112.5 -32.22 6.54 Favored 'General case' 0 N--CA 1.464 0.256 0 C-N-CA 123.42 0.688 . . . . 0.0 110.501 177.05 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 16' ' ' LEU . . . . . 0.406 HD11 HG21 ' B' ' 18' ' ' VAL . 0.2 OUTLIER -71.27 -31.6 67.69 Favored 'General case' 0 CA--C 1.547 0.857 0 CA-C-N 118.987 0.812 . . . . 0.0 111.456 -177.849 . . . . . . . . 3 3 . 1 . 023 nuclear build core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 29.2 mt-10 -50.74 -40.4 54.54 Favored 'General case' 0 N--CA 1.478 0.966 0 C-N-CA 124.961 1.304 . . . . 0.0 111.48 168.95 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 1.7 t-20 -59.71 -28.86 67.69 Favored 'General case' 0 CA--C 1.541 0.618 0 C-N-CA 124.551 1.14 . . . . 0.0 113.429 -171.098 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 88.3 m-85 -79.19 -9.7 59.63 Favored 'General case' 0 CA--C 1.544 0.716 0 C-N-CA 125.211 1.404 . . . . 0.0 113.627 179.425 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 12.9 t -70.21 -24.83 63.18 Favored 'General case' 0 CA--C 1.545 0.775 0 C-N-CA 123.872 0.869 . . . . 0.0 113.087 176.63 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 C--O 1.253 1.278 0 C-N-CA 126.17 1.788 . . . . 0.0 111.927 177.266 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' B' B ' 1' ' ' PHE . . . . . . . . . . . . . 51.0 t80 . . . . . 0 N--CA 1.485 1.312 0 CA-C-O 120.617 0.246 . . . . 0.0 110.792 . . . . . . . . . 0 0 . 1 . 023 nuclear build core ' B' B ' 2' ' ' VAL . . . . . . . . . . . . . 9.7 p -149.17 131.98 6.79 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.768 0 C-N-CA 125.28 1.432 . . . . 0.0 108.673 166.229 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' B' B ' 3' ' ' ASN . . . . . . . . . . . . . 72.1 m-20 -60.76 121.24 11.78 Favored 'General case' 0 CA--C 1.533 0.314 0 N-CA-C 109.66 -0.496 . . . . 0.0 109.66 173.814 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' B' B ' 4' ' ' GLN . . . . . . . . . . . . . 18.3 pt20 -156.24 177.21 11.7 Favored 'General case' 0 CA--C 1.532 0.275 0 CA-C-O 121.675 0.75 . . . . 0.0 111.527 -168.528 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' B' B ' 5' ' ' HIS . . . . . . . . . . . . . 76.6 m80 -79.04 125.92 30.03 Favored 'General case' 0 CA--C 1.544 0.738 0 C-N-CA 124.289 1.036 . . . . 0.0 109.981 170.667 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 88.5 mt -136.7 133.41 36.1 Favored 'General case' 0 N--CA 1.472 0.666 0 C-N-CA 124.233 1.013 . . . . 0.0 111.214 -175.481 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' B' B ' 7' ' ' CYS . . . . . . . . . . . . . 2.3 t -157.9 145.83 18.68 Favored 'General case' 0 CA--C 1.535 0.389 0 C-N-CA 123.766 0.826 . . . . 0.0 111.133 179.718 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' B' B ' 8' ' ' GLY . . . . . . . . . . . . . . . 61.38 -125.9 38.62 Favored Glycine 0 N--CA 1.47 0.923 0 C-N-CA 123.779 0.704 . . . . 0.0 112.958 179.813 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' B' B ' 9' ' ' SER . . . . . . . . . . . . . 5.8 p -50.36 -44.31 54.56 Favored 'General case' 0 N--CA 1.471 0.593 0 C-N-CA 125.144 1.378 . . . . 0.0 112.794 175.569 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' B' B ' 10' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -63.74 -35.55 80.94 Favored 'General case' 0 N--CA 1.47 0.551 0 O-C-N 121.366 -0.834 . . . . 0.0 112.606 179.083 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 14.7 tp -71.65 -45.02 63.27 Favored 'General case' 0 CA--C 1.536 0.419 0 C-N-CA 123.989 0.916 . . . . 0.0 110.875 177.976 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 81.5 t -59.97 -43.71 93.0 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.012 0 C-N-CA 123.859 0.864 . . . . 0.0 111.113 173.717 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 24.2 mt-10 -59.64 -45.96 90.43 Favored 'General case' 0 N--CA 1.465 0.306 0 C-N-CA 123.995 0.918 . . . . 0.0 112.225 174.194 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -61.86 -49.6 75.6 Favored 'General case' 0 N--CA 1.454 -0.243 0 CA-C-N 119.149 0.886 . . . . 0.0 111.516 177.97 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 3.8 mm? -54.61 -38.56 66.94 Favored 'General case' 0 N--CA 1.47 0.572 0 CA-C-N 119.008 0.822 . . . . 0.0 111.839 177.229 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' B' B ' 16' ' ' TYR . . . . . . . . . . . . . 71.9 t80 -61.24 -45.63 93.73 Favored 'General case' 0 CA--C 1.537 0.443 0 CA-C-N 118.931 0.787 . . . . 0.0 112.299 171.71 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 95.6 mt -67.43 -47.39 70.34 Favored 'General case' 0 CA--C 1.539 0.521 0 CA-C-N 119.096 0.862 . . . . 0.0 112.847 -179.653 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' B' B ' 18' ' ' VAL . . . . . 0.406 HG21 HD11 ' A' ' 16' ' ' LEU . 0.0 OUTLIER -78.79 -33.25 16.31 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.345 0 CA-C-N 118.735 0.698 . . . . 0.0 112.706 -175.726 . . . . . . . . 3 3 . 1 . 023 nuclear build core ' B' B ' 19' ' ' CYS . . . . . . . . . . . . . 28.9 t -115.47 -45.89 2.9 Favored 'General case' 0 CA--C 1.541 0.6 0 N-CA-C 114.25 1.204 . . . . 0.0 114.25 -174.146 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.477 1.409 0 C-N-CA 123.596 0.617 . . . . 0.0 114.389 -164.724 . . . . . . . . 0 0 . 1 . 024 nuclear build core ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 7.5 tp . . . . . 0 N--CA 1.484 1.229 0 N-CA-C 113.406 0.891 . . . . 0.0 113.406 . . . . . . . . . 0 0 . 1 . 024 nuclear build core ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 76.9 t -61.01 -43.81 96.91 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.175 0 C-N-CA 123.902 0.881 . . . . 0.0 111.094 -173.254 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 23.7 pt-20 -70.93 -5.99 35.04 Favored 'General case' 0 CA--C 1.547 0.864 0 N-CA-C 114.264 1.209 . . . . 0.0 114.264 176.595 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 36.3 tp60 -92.93 -52.69 4.48 Favored 'General case' 0 CA--C 1.54 0.558 0 CA-C-N 120.08 1.309 . . . . 0.0 110.892 165.075 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 65.4 m -90.51 -32.41 16.35 Favored 'General case' 0 N--CA 1.474 0.73 0 N-CA-C 116.144 1.905 . . . . 0.0 116.144 -167.683 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 18.3 t -75.7 -24.82 56.26 Favored 'General case' 0 N--CA 1.477 0.885 0 O-C-N 121.163 -0.961 . . . . 0.0 113.446 -178.088 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 6.5 t -95.19 -31.99 13.25 Favored 'General case' 0 N--CA 1.475 0.796 0 C-N-CA 125.388 1.475 . . . . 0.0 113.467 -177.006 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 59.2 m -146.99 171.43 15.26 Favored 'General case' 0 CA--C 1.543 0.708 0 C-N-CA 125.078 1.351 . . . . 0.0 112.189 -171.835 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 27.5 mm -56.97 125.43 12.91 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.819 0 O-C-N 121.215 -0.928 . . . . 0.0 109.177 167.899 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 18.1 p -117.02 150.42 38.64 Favored 'General case' 0 CA--C 1.534 0.342 0 CA-C-O 121.574 0.702 . . . . 0.0 111.822 168.147 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 13.5 m -107.09 152.48 23.97 Favored 'General case' 0 N--CA 1.469 0.514 0 C-N-CA 123.788 0.835 . . . . 0.0 112.68 -172.31 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 13' ' ' LEU . . . . . 0.551 ' H ' HD23 ' A' ' 13' ' ' LEU . 1.6 pt? -57.28 -40.01 76.87 Favored 'General case' 0 N--CA 1.467 0.383 0 O-C-N 121.533 -0.729 . . . . 0.0 111.885 -174.305 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 21.1 p90 -69.71 -10.28 57.69 Favored 'General case' 0 CA--C 1.537 0.48 0 C-N-CA 125.054 1.342 . . . . 0.0 114.589 -176.3 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 3.6 pt20 -118.9 -30.94 4.92 Favored 'General case' 0 C--O 1.222 -0.393 0 C-N-CA 123.786 0.834 . . . . 0.0 111.003 -179.784 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 16' ' ' LEU . . . . . 0.438 HD11 HG21 ' B' ' 18' ' ' VAL . 0.2 OUTLIER -70.68 -33.14 70.6 Favored 'General case' 0 CA--C 1.549 0.92 0 CA-C-N 119.324 0.965 . . . . 0.0 111.145 176.181 . . . . . . . . 3 3 . 1 . 024 nuclear build core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 14.6 mt-10 -47.99 -35.99 11.91 Favored 'General case' 0 N--CA 1.479 0.996 0 C-N-CA 126.147 1.779 . . . . 0.0 112.811 170.141 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 81.0 m-20 -61.63 -18.44 59.46 Favored 'General case' 0 CA--C 1.539 0.547 0 C-N-CA 124.809 1.244 . . . . 0.0 113.519 -173.934 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 88.5 m-85 -99.49 1.93 44.45 Favored 'General case' 0 CA--C 1.546 0.809 0 C-N-CA 126.37 1.868 . . . . 0.0 113.679 -176.188 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 49.0 t -67.1 -33.67 75.98 Favored 'General case' 0 N--CA 1.474 0.729 0 N-CA-C 113.168 0.803 . . . . 0.0 113.168 176.113 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--O 1.253 1.268 0 C-N-CA 125.763 1.625 . . . . 0.0 113.037 176.754 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' B' B ' 1' ' ' PHE . . . . . . . . . . . . . 56.3 t80 . . . . . 0 N--CA 1.486 1.358 0 N-CA-C 110.77 -0.085 . . . . 0.0 110.77 . . . . . . . . . 0 0 . 1 . 024 nuclear build core ' B' B ' 2' ' ' VAL . . . . . . . . . . . . . 11.5 p -143.98 131.96 18.14 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.805 0 C-N-CA 125.001 1.321 . . . . 0.0 109.112 166.938 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' B' B ' 3' ' ' ASN . . . . . . . . . . . . . 72.0 m-20 -61.07 121.77 13.3 Favored 'General case' 0 CA--C 1.533 0.324 0 N-CA-C 109.597 -0.52 . . . . 0.0 109.597 173.531 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' B' B ' 4' ' ' GLN . . . . . . . . . . . . . 21.0 pt20 -157.27 177.93 10.91 Favored 'General case' 0 CA--C 1.532 0.276 0 CA-C-O 121.638 0.732 . . . . 0.0 111.528 -169.177 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' B' B ' 5' ' ' HIS . . . . . . . . . . . . . 76.7 m80 -81.63 129.53 34.73 Favored 'General case' 0 CA--C 1.544 0.72 0 C-N-CA 124.105 0.962 . . . . 0.0 110.087 169.865 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' B' B ' 6' ' ' LEU . . . . . 0.454 HD13 ' CB ' ' B' ' 14' ' ' ALA . 74.8 mt -139.52 133.12 30.4 Favored 'General case' 0 N--CA 1.471 0.582 0 C-N-CA 124.532 1.133 . . . . 0.0 111.19 -172.76 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' B' B ' 7' ' ' CYS . . . . . . . . . . . . . 1.6 t -156.09 147.48 22.61 Favored 'General case' 0 N--CA 1.468 0.473 0 C-N-CA 123.589 0.756 . . . . 0.0 111.385 179.22 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' B' B ' 8' ' ' GLY . . . . . . . . . . . . . . . 59.9 -128.88 47.32 Favored Glycine 0 N--CA 1.471 1.027 0 C-N-CA 123.919 0.771 . . . . 0.0 112.548 -179.19 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' B' B ' 9' ' ' SER . . . . . . . . . . . . . 20.4 m -55.5 -36.04 66.23 Favored 'General case' 0 N--CA 1.471 0.619 0 C-N-CA 124.558 1.143 . . . . 0.0 113.014 178.946 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' B' B ' 10' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -64.11 -36.92 85.62 Favored 'General case' 0 CA--C 1.541 0.631 0 O-C-N 121.26 -0.9 . . . . 0.0 112.322 175.593 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 15.8 tp -73.17 -42.13 63.1 Favored 'General case' 0 CA--C 1.536 0.418 0 C-N-CA 124.434 1.094 . . . . 0.0 111.256 178.135 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 91.4 t -59.44 -43.11 89.74 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.044 0 C-N-CA 124.021 0.928 . . . . 0.0 111.138 171.636 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 15.7 mm-40 -60.63 -49.6 76.89 Favored 'General case' 0 C--O 1.223 -0.318 0 CA-C-O 118.536 -0.745 . . . . 0.0 111.582 171.69 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' B' B ' 14' ' ' ALA . . . . . 0.544 ' O ' HG22 ' B' ' 18' ' ' VAL . . . -54.54 -49.22 70.79 Favored 'General case' 0 CA--C 1.531 0.238 0 CA-C-N 120.189 1.359 . . . . 0.0 111.905 179.698 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 4.0 mm? -54.65 -38.65 67.15 Favored 'General case' 0 N--CA 1.471 0.608 0 CA-C-N 119.031 0.832 . . . . 0.0 112.201 174.802 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' B' B ' 16' ' ' TYR . . . . . . . . . . . . . 76.2 t80 -64.34 -41.93 96.53 Favored 'General case' 0 CA--C 1.543 0.68 0 O-C-N 121.306 -0.871 . . . . 0.0 112.586 171.218 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 90.9 mt -68.99 -46.48 67.95 Favored 'General case' 0 CA--C 1.537 0.48 0 O-C-N 121.278 -0.889 . . . . 0.0 112.8 -178.965 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' B' B ' 18' ' ' VAL . . . . . 0.544 HG22 ' O ' ' B' ' 14' ' ' ALA . 0.0 OUTLIER -71.2 -48.96 51.69 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.117 0 CA-C-N 118.451 0.569 . . . . 0.0 111.699 177.273 . . . . . . . . 3 3 . 1 . 024 nuclear build core ' B' B ' 19' ' ' CYS . . . . . . . . . . . . . 17.2 t -109.71 -42.64 4.22 Favored 'General case' 0 N--CA 1.47 0.542 0 N-CA-C 113.738 1.014 . . . . 0.0 113.738 -167.957 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.477 1.371 0 CA-C-N 118.778 0.717 . . . . 0.0 113.821 -170.2 . . . . . . . . 0 0 . 1 . 025 nuclear build core ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 8.6 tp . . . . . 0 N--CA 1.483 1.209 0 N-CA-C 114.479 1.288 . . . . 0.0 114.479 . . . . . . . . . 0 0 . 1 . 025 nuclear build core ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 89.5 t -63.31 -40.9 90.78 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.004 0 CA-C-N 119.179 0.9 . . . . 0.0 109.892 -179.839 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 2.6 mp0 -71.69 1.86 6.15 Favored 'General case' 0 CA--C 1.547 0.832 0 C-N-CA 125.351 1.46 . . . . 0.0 113.686 175.587 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 16.6 tp60 -113.05 -51.85 2.81 Favored 'General case' 0 CA--C 1.538 0.511 0 C-N-CA 124.664 1.185 . . . . 0.0 111.49 169.528 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 1.6 t -100.26 -21.91 15.31 Favored 'General case' 0 N--CA 1.472 0.647 0 N-CA-C 115.221 1.563 . . . . 0.0 115.221 -168.188 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 21.5 t -78.19 -29.62 48.54 Favored 'General case' 0 N--CA 1.477 0.878 0 O-C-N 120.854 -1.153 . . . . 0.0 112.687 169.48 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 6.5 t -85.53 -32.12 22.35 Favored 'General case' 0 N--CA 1.476 0.829 0 C-N-CA 124.926 1.29 . . . . 0.0 113.022 177.628 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 5.5 t -150.61 -175.07 4.96 Favored 'General case' 0 CA--C 1.543 0.707 0 C-N-CA 124.154 0.981 . . . . 0.0 112.712 -175.93 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 29.6 mm -66.31 137.0 25.72 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.59 0 O-C-N 120.804 -1.185 . . . . 0.0 110.054 172.764 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 15.4 p -122.79 154.87 37.63 Favored 'General case' 0 N--CA 1.471 0.58 0 CA-C-O 121.875 0.845 . . . . 0.0 112.839 161.513 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 19.2 m -107.36 151.23 25.78 Favored 'General case' 0 N--CA 1.469 0.483 0 C-N-CA 125.054 1.342 . . . . 0.0 111.636 179.258 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 13' ' ' LEU . . . . . 0.493 ' H ' HD23 ' A' ' 13' ' ' LEU . 1.8 pt? -59.22 -39.0 81.33 Favored 'General case' 0 N--CA 1.465 0.31 0 O-C-N 121.28 -0.887 . . . . 0.0 112.138 -174.037 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 18.3 p90 -69.51 -13.21 62.22 Favored 'General case' 0 CA--C 1.535 0.382 0 C-N-CA 125.067 1.347 . . . . 0.0 114.093 -174.418 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 4.0 pt20 -113.21 -30.83 6.82 Favored 'General case' 0 C--O 1.222 -0.37 0 C-N-CA 124.144 0.978 . . . . 0.0 110.515 177.009 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 16' ' ' LEU . . . . . 0.496 HD11 HG21 ' B' ' 18' ' ' VAL . 0.3 OUTLIER -71.17 -26.84 63.15 Favored 'General case' 0 CA--C 1.546 0.826 0 CA-C-N 120.134 1.334 . . . . 0.0 112.173 -179.57 . . . . . . . . 3 3 . 1 . 025 nuclear build core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 31.8 mt-10 -50.23 -36.21 30.06 Favored 'General case' 0 N--CA 1.479 1.021 0 C-N-CA 124.157 0.983 . . . . 0.0 111.984 169.494 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 62.2 m-20 -61.46 -24.54 66.63 Favored 'General case' 0 CA--C 1.54 0.59 0 C-N-CA 124.721 1.208 . . . . 0.0 112.908 -172.119 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 86.2 m-85 -88.46 -6.98 57.3 Favored 'General case' 0 CA--C 1.542 0.637 0 C-N-CA 126.304 1.841 . . . . 0.0 113.482 -176.737 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 19.0 t -68.42 -28.99 67.57 Favored 'General case' 0 CA--C 1.544 0.733 0 C-N-CA 123.715 0.806 . . . . 0.0 113.001 176.466 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--O 1.255 1.349 0 C-N-CA 127.308 2.243 . . . . 0.0 112.423 177.131 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' B' B ' 1' ' ' PHE . . . . . . . . . . . . . 69.3 t80 . . . . . 0 N--CA 1.487 1.379 0 N-CA-C 110.717 -0.105 . . . . 0.0 110.717 . . . . . . . . . 0 0 . 1 . 025 nuclear build core ' B' B ' 2' ' ' VAL . . . . . . . . . . . . . 84.0 t -132.95 124.67 50.68 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.977 0 C-N-CA 125.129 1.371 . . . . 0.0 108.472 170.346 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' B' B ' 3' ' ' ASN . . . . . . . . . . . . . 9.0 m120 -62.3 111.81 2.15 Favored 'General case' 0 CA--C 1.537 0.449 0 C-N-CA 124.234 1.013 . . . . 0.0 109.974 173.901 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' B' B ' 4' ' ' GLN . . . . . . . . . . . . . 11.9 pt20 -156.98 175.94 13.43 Favored 'General case' 0 CA--C 1.535 0.368 0 C-N-CA 123.577 0.751 . . . . 0.0 111.268 -170.863 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' B' B ' 5' ' ' HIS . . . . . . . . . . . . . 70.5 m80 -81.49 127.72 33.12 Favored 'General case' 0 CA--C 1.546 0.791 0 C-N-CA 124.446 1.098 . . . . 0.0 109.915 168.91 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 93.6 mt -132.12 136.31 47.04 Favored 'General case' 0 N--CA 1.47 0.55 0 C-N-CA 125.231 1.412 . . . . 0.0 110.639 -175.599 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' B' B ' 7' ' ' CYS . . . . . . . . . . . . . 2.0 t -154.83 147.34 24.12 Favored 'General case' 0 N--CA 1.469 0.498 0 O-C-N 121.601 -0.687 . . . . 0.0 111.792 -179.672 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' B' B ' 8' ' ' GLY . . . . . . . . . . . . . . . 59.38 -128.42 47.1 Favored Glycine 0 CA--C 1.53 0.981 0 C-N-CA 123.917 0.77 . . . . 0.0 112.259 -179.582 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' B' B ' 9' ' ' SER . . . . . . . . . . . . . 20.3 m -53.57 -39.36 64.73 Favored 'General case' 0 N--CA 1.47 0.557 0 C-N-CA 124.568 1.147 . . . . 0.0 112.682 178.589 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' B' B ' 10' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -62.83 -37.42 86.71 Favored 'General case' 0 CA--C 1.543 0.699 0 O-C-N 121.247 -0.908 . . . . 0.0 112.562 177.899 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 15.3 tp -73.58 -43.15 60.48 Favored 'General case' 0 CA--C 1.535 0.394 0 C-N-CA 124.411 1.085 . . . . 0.0 110.967 177.842 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 75.1 t -59.79 -43.6 92.11 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.987 0 C-N-CA 124.03 0.932 . . . . 0.0 111.267 173.291 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 23.4 mt-10 -59.05 -45.54 90.51 Favored 'General case' 0 N--CA 1.466 0.333 0 C-N-CA 124.19 0.996 . . . . 0.0 112.188 173.633 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -61.12 -49.16 78.41 Favored 'General case' 0 CA--C 1.534 0.33 0 CA-C-N 119.0 0.818 . . . . 0.0 111.532 176.971 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 3.9 mm? -55.49 -39.6 70.63 Favored 'General case' 0 N--CA 1.47 0.567 0 CA-C-N 118.7 0.682 . . . . 0.0 112.028 176.667 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' B' B ' 16' ' ' TYR . . . . . . . . . . . . . 84.1 t80 -60.25 -45.11 94.4 Favored 'General case' 0 N--CA 1.466 0.372 0 CA-C-N 119.073 0.851 . . . . 0.0 112.216 172.374 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 96.3 mt -65.09 -50.45 66.06 Favored 'General case' 0 CA--C 1.539 0.551 0 CA-C-N 118.725 0.693 . . . . 0.0 111.925 179.321 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' B' B ' 18' ' ' VAL . . . . . 0.496 HG21 HD11 ' A' ' 16' ' ' LEU . 0.0 OUTLIER -76.64 -37.94 29.98 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.287 0 CA-C-N 118.701 0.682 . . . . 0.0 112.455 -174.308 . . . . . . . . 3 3 . 1 . 025 nuclear build core ' B' B ' 19' ' ' CYS . . . . . . . . . . . . . 28.6 t -104.34 -39.19 6.55 Favored 'General case' 0 CA--C 1.538 0.508 0 N-CA-C 113.64 0.978 . . . . 0.0 113.64 -172.361 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.472 1.082 0 C-N-CA 124.317 0.96 . . . . 0.0 113.136 -173.735 . . . . . . . . 0 0 . 1 . 026 nuclear build core ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 7.7 tp . . . . . 0 N--CA 1.485 1.322 0 N-CA-C 114.156 1.169 . . . . 0.0 114.156 . . . . . . . . . 0 0 . 1 . 026 nuclear build core ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 60.5 t -61.66 -35.1 65.24 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.989 0 C-N-CA 123.759 0.824 . . . . 0.0 110.985 176.688 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 41.9 mt-10 -77.05 -8.41 57.4 Favored 'General case' 0 CA--C 1.545 0.752 0 C-N-CA 124.345 1.058 . . . . 0.0 112.486 176.226 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 13.0 tp60 -99.35 -40.17 8.04 Favored 'General case' 0 CA--C 1.539 0.526 0 C-N-CA 124.527 1.131 . . . . 0.0 111.93 176.066 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -119.49 -17.35 8.75 Favored 'General case' 0 N--CA 1.481 1.075 0 N-CA-C 117.327 2.343 . . . . 0.0 117.327 -172.679 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 35.0 t -89.44 -32.03 17.43 Favored 'General case' 0 N--CA 1.478 0.973 0 N-CA-C 113.72 1.008 . . . . 0.0 113.72 177.441 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 6.5 t -69.0 -40.35 78.8 Favored 'General case' 0 N--CA 1.481 1.081 0 C-N-CA 124.186 0.994 . . . . 0.0 111.951 175.331 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 9' ' ' SER . . . . . 0.447 ' HA ' ' CE1' ' B' ' 5' ' ' HIS . 5.7 t -166.44 -174.6 2.91 Favored 'General case' 0 CA--C 1.534 0.354 0 C-N-CA 127.768 2.427 . . . . 0.0 109.789 173.44 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 16.9 mt -71.84 136.79 24.98 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.461 0 C-N-CA 124.381 1.072 . . . . 0.0 112.971 -163.137 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 13.9 p -115.46 163.28 15.97 Favored 'General case' 0 CA--C 1.539 0.535 0 C-N-CA 124.562 1.145 . . . . 0.0 113.036 169.11 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 63.9 m -108.19 157.47 18.29 Favored 'General case' 0 N--CA 1.47 0.561 0 C-N-CA 125.04 1.336 . . . . 0.0 112.676 173.742 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 13' ' ' LEU . . . . . 0.503 ' H ' HD23 ' A' ' 13' ' ' LEU . 1.5 pt? -58.56 -38.74 78.5 Favored 'General case' 0 N--CA 1.463 0.221 0 C-N-CA 123.83 0.852 . . . . 0.0 112.657 -173.084 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 25.0 p90 -70.5 -11.84 61.18 Favored 'General case' 0 CA--C 1.536 0.437 0 C-N-CA 125.308 1.443 . . . . 0.0 114.314 -174.207 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 3.9 pt20 -120.63 -24.46 5.76 Favored 'General case' 0 CA--C 1.534 0.359 0 C-N-CA 124.322 1.049 . . . . 0.0 111.727 -177.116 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 16' ' ' LEU . . . . . 0.43 HD23 ' HA ' ' A' ' 13' ' ' LEU . 0.3 OUTLIER -73.73 -34.18 64.66 Favored 'General case' 0 CA--C 1.542 0.646 0 C-N-CA 124.252 1.021 . . . . 0.0 111.094 174.15 . . . . . . . . 3 3 . 1 . 026 nuclear build core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -73.15 -16.74 61.44 Favored 'General case' 0 N--CA 1.469 0.5 0 N-CA-C 113.704 1.001 . . . . 0.0 113.704 -177.897 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -57.76 -26.35 61.74 Favored 'General case' 0 CA--C 1.544 0.746 0 C-N-CA 123.993 0.917 . . . . 0.0 112.07 168.602 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 88.7 m-85 -87.59 0.31 55.81 Favored 'General case' 0 CA--C 1.545 0.756 0 C-N-CA 125.229 1.411 . . . . 0.0 113.785 179.104 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 51.2 t -58.03 -43.25 86.67 Favored 'General case' 0 N--CA 1.47 0.556 0 C-N-CA 123.767 0.827 . . . . 0.0 113.005 -178.174 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 17.4 m120 . . . . . 0 C--O 1.253 1.28 0 C-N-CA 124.954 1.301 . . . . 0.0 112.421 -173.991 . . . . . . . . 0 0 . 1 . 026 nuclear build core ' B' B ' 1' ' ' PHE . . . . . . . . . . . . . 74.3 t80 . . . . . 0 N--CA 1.487 1.382 0 CA-C-O 119.818 -0.134 . . . . 0.0 110.702 . . . . . . . . . 0 0 . 1 . 026 nuclear build core ' B' B ' 2' ' ' VAL . . . . . . . . . . . . . 91.8 t -132.57 123.74 50.04 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.043 0 C-N-CA 124.957 1.303 . . . . 0.0 108.332 170.313 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' B' B ' 3' ' ' ASN . . . . . . . . . . . . . 5.1 m120 -67.73 111.44 4.26 Favored 'General case' 0 CA--C 1.543 0.676 0 C-N-CA 124.55 1.14 . . . . 0.0 109.316 175.911 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' B' B ' 4' ' ' GLN . . . . . . . . . . . . . 15.1 pt20 -157.27 179.79 8.93 Favored 'General case' 0 CA--C 1.537 0.451 0 C-N-CA 124.677 1.191 . . . . 0.0 111.751 -170.392 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' B' B ' 5' ' ' HIS . . . . . 0.447 ' CE1' ' HA ' ' A' ' 9' ' ' SER . 88.6 m-70 -80.63 127.36 32.38 Favored 'General case' 0 CA--C 1.541 0.631 0 C-N-CA 124.397 1.079 . . . . 0.0 110.673 171.885 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 94.6 mt -134.55 136.84 43.32 Favored 'General case' 0 N--CA 1.47 0.574 0 C-N-CA 124.273 1.029 . . . . 0.0 110.738 -176.307 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' B' B ' 7' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -155.35 147.39 23.53 Favored 'General case' 0 N--CA 1.468 0.45 0 C-N-CA 123.734 0.814 . . . . 0.0 111.492 -178.381 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' B' B ' 8' ' ' GLY . . . . . . . . . . . . . . . 57.39 -124.61 36.51 Favored Glycine 0 CA--C 1.529 0.947 0 C-N-CA 124.069 0.842 . . . . 0.0 113.042 177.639 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' B' B ' 9' ' ' SER . . . . . . . . . . . . . 8.9 t -55.85 -40.03 72.3 Favored 'General case' 0 CA--C 1.541 0.621 0 C-N-CA 123.775 0.83 . . . . 0.0 112.391 178.29 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' B' B ' 10' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -63.08 -33.15 74.83 Favored 'General case' 0 N--CA 1.473 0.709 0 O-C-N 120.798 -1.188 . . . . 0.0 112.805 177.074 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 14.3 tp -74.22 -43.56 56.63 Favored 'General case' 0 CA--C 1.538 0.493 0 C-N-CA 124.865 1.266 . . . . 0.0 110.847 178.047 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 86.9 t -61.2 -42.66 94.25 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.162 0 C-N-CA 124.111 0.965 . . . . 0.0 111.265 172.034 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 25.2 mt-10 -57.88 -47.43 82.78 Favored 'General case' 0 N--CA 1.465 0.277 0 C-N-CA 123.67 0.788 . . . . 0.0 111.654 172.628 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' B' B ' 14' ' ' ALA . . . . . 0.401 ' O ' HG23 ' B' ' 18' ' ' VAL . . . -59.74 -45.5 92.02 Favored 'General case' 0 CA--C 1.535 0.401 0 CA-C-N 119.39 0.995 . . . . 0.0 112.341 178.179 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 3.4 mm? -56.87 -38.07 72.23 Favored 'General case' 0 N--CA 1.468 0.47 0 CA-C-N 118.569 0.622 . . . . 0.0 112.169 174.63 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' B' B ' 16' ' ' TYR . . . . . . . . . . . . . 68.0 t80 -63.95 -43.49 95.65 Favored 'General case' 0 CA--C 1.538 0.5 0 CA-C-N 118.946 0.794 . . . . 0.0 111.901 172.991 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 97.4 mt -65.3 -43.55 90.73 Favored 'General case' 0 CA--C 1.533 0.31 0 CA-C-O 118.544 -0.741 . . . . 0.0 112.58 -179.782 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' B' B ' 18' ' ' VAL . . . . . 0.401 HG23 ' O ' ' B' ' 14' ' ' ALA . 0.2 OUTLIER -78.21 -51.32 17.83 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.059 0 CA-C-N 118.967 0.803 . . . . 0.0 111.755 178.46 . . . . . . . . 3 3 . 1 . 026 nuclear build core ' B' B ' 19' ' ' CYS . . . . . . . . . . . . . 34.2 t -98.25 -39.53 8.8 Favored 'General case' 0 CA--C 1.541 0.606 0 N-CA-C 113.487 0.921 . . . . 0.0 113.487 -166.898 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.474 1.231 0 C-N-CA 124.334 0.968 . . . . 0.0 114.235 -171.845 . . . . . . . . 0 0 . 1 . 027 nuclear build core ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 7.1 tp . . . . . 0 N--CA 1.485 1.294 0 N-CA-C 113.967 1.099 . . . . 0.0 113.967 . . . . . . . . . 0 0 . 1 . 027 nuclear build core ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 88.3 t -62.46 -35.41 69.72 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.994 0 C-N-CA 123.793 0.837 . . . . 0.0 111.214 176.531 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 41.3 mt-10 -78.41 -8.34 58.37 Favored 'General case' 0 CA--C 1.544 0.743 0 C-N-CA 124.297 1.039 . . . . 0.0 112.521 177.092 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 10.4 tp60 -97.34 -43.11 7.45 Favored 'General case' 0 CA--C 1.538 0.504 0 C-N-CA 124.4 1.08 . . . . 0.0 111.505 173.203 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 97.5 m -112.58 -24.64 9.56 Favored 'General case' 0 N--CA 1.475 0.813 0 N-CA-C 116.462 2.023 . . . . 0.0 116.462 -168.736 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 42.2 t -86.48 -36.32 19.11 Favored 'General case' 0 N--CA 1.48 1.044 0 CA-C-N 119.989 1.268 . . . . 0.0 113.588 -179.836 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 5.3 t -75.15 -27.33 59.68 Favored 'General case' 0 N--CA 1.478 0.961 0 C-N-CA 124.564 1.146 . . . . 0.0 113.336 179.765 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 98.6 p -166.58 168.69 14.37 Favored 'General case' 0 N--CA 1.468 0.429 0 C-N-CA 126.784 2.033 . . . . 0.0 110.638 -174.137 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 14.2 mt -73.79 126.04 33.88 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.513 0 O-C-N 121.44 -0.787 . . . . 0.0 111.391 -172.45 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 29.2 p -104.65 154.03 20.47 Favored 'General case' 0 CA--C 1.535 0.375 0 C-N-CA 124.825 1.25 . . . . 0.0 112.05 172.78 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 70.4 m -93.06 153.46 18.68 Favored 'General case' 0 N--CA 1.469 0.521 0 C-N-CA 123.567 0.747 . . . . 0.0 111.913 171.769 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 13' ' ' LEU . . . . . 0.611 ' H ' HD23 ' A' ' 13' ' ' LEU . 1.4 pt? -57.95 -42.81 85.73 Favored 'General case' 0 N--CA 1.463 0.224 0 C-N-CA 123.864 0.866 . . . . 0.0 112.106 -176.28 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 21.4 p90 -68.31 -15.32 63.52 Favored 'General case' 0 CA--C 1.536 0.441 0 C-N-CA 124.735 1.214 . . . . 0.0 114.204 -172.962 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 3.9 pt20 -109.72 -24.48 10.88 Favored 'General case' 0 N--CA 1.464 0.255 0 C-N-CA 124.051 0.94 . . . . 0.0 110.716 -179.613 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -76.44 -31.06 57.63 Favored 'General case' 0 CA--C 1.548 0.887 0 CA-C-N 118.992 0.815 . . . . 0.0 111.531 174.197 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 31.8 mt-10 -51.35 -37.58 48.65 Favored 'General case' 0 N--CA 1.481 1.124 0 C-N-CA 124.642 1.177 . . . . 0.0 111.833 171.429 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 6.6 m-80 -63.85 -15.24 58.43 Favored 'General case' 0 CA--C 1.547 0.861 0 C-N-CA 124.246 1.018 . . . . 0.0 113.582 -175.395 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 81.7 m-85 -88.53 -8.89 54.05 Favored 'General case' 0 CA--C 1.542 0.653 0 C-N-CA 125.037 1.335 . . . . 0.0 113.46 175.697 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 10.7 t -75.67 -25.41 56.75 Favored 'General case' 0 CA--C 1.545 0.779 0 C-N-CA 123.871 0.869 . . . . 0.0 112.856 174.758 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 35.5 m120 . . . . . 0 C--O 1.254 1.309 0 C-N-CA 125.817 1.647 . . . . 0.0 113.016 178.81 . . . . . . . . 0 0 . 1 . 027 nuclear build core ' B' B ' 1' ' ' PHE . . . . . . . . . . . . . 50.1 t80 . . . . . 0 N--CA 1.487 1.408 0 CA-C-O 119.619 -0.229 . . . . 0.0 110.699 . . . . . . . . . 0 0 . 1 . 027 nuclear build core ' B' B ' 2' ' ' VAL . . . . . . . . . . . . . 92.1 t -128.8 118.97 48.53 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.991 0 C-N-CA 124.892 1.277 . . . . 0.0 108.911 173.422 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' B' B ' 3' ' ' ASN . . . . . . . . . . . . . 68.5 m-20 -68.52 121.14 15.74 Favored 'General case' 0 CA--C 1.537 0.449 0 CA-C-O 121.213 0.53 . . . . 0.0 110.373 164.614 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' B' B ' 4' ' ' GLN . . . . . . . . . . . . . 10.3 pt20 -161.33 -175.85 5.06 Favored 'General case' 0 C--N 1.329 -0.287 0 C-N-CA 125.805 1.642 . . . . 0.0 109.793 -178.815 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' B' B ' 5' ' ' HIS . . . . . . . . . . . . . 79.7 m-70 -77.49 133.03 38.67 Favored 'General case' 0 CA--C 1.541 0.612 0 C-N-CA 123.689 0.795 . . . . 0.0 109.661 169.154 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 93.2 mt -137.8 120.63 16.42 Favored 'General case' 0 N--CA 1.466 0.34 0 C-N-CA 124.871 1.268 . . . . 0.0 110.29 -173.836 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' B' B ' 7' ' ' CYS . . . . . . . . . . . . . 57.8 m -136.24 140.98 43.89 Favored 'General case' 0 CA--C 1.537 0.473 0 C-N-CA 124.937 1.295 . . . . 0.0 110.109 -177.811 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' B' B ' 8' ' ' GLY . . . . . . . . . . . . . . . 57.4 -122.55 29.58 Favored Glycine 0 N--CA 1.472 1.064 0 C-N-CA 123.852 0.739 . . . . 0.0 113.137 172.972 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' B' B ' 9' ' ' SER . . . . . . . . . . . . . 8.8 t -55.81 -39.4 71.29 Favored 'General case' 0 CA--C 1.542 0.65 0 C-N-CA 123.906 0.882 . . . . 0.0 112.485 179.166 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' B' B ' 10' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -63.15 -37.26 86.51 Favored 'General case' 0 N--CA 1.473 0.688 0 O-C-N 120.778 -1.201 . . . . 0.0 112.326 176.214 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 19.7 tp -72.3 -42.53 65.39 Favored 'General case' 0 CA--C 1.536 0.42 0 C-N-CA 124.403 1.081 . . . . 0.0 111.144 178.153 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 69.2 t -59.78 -43.39 91.62 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.961 0 C-N-CA 124.016 0.926 . . . . 0.0 111.142 171.827 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 21.3 mt-10 -58.75 -45.23 90.2 Favored 'General case' 0 N--CA 1.467 0.402 0 C-N-CA 123.75 0.82 . . . . 0.0 112.343 173.534 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -61.02 -49.41 77.53 Favored 'General case' 0 N--CA 1.453 -0.295 0 CA-C-N 119.242 0.928 . . . . 0.0 111.492 176.588 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 3.9 mm? -55.13 -38.22 67.91 Favored 'General case' 0 N--CA 1.47 0.575 0 CA-C-N 119.009 0.822 . . . . 0.0 112.235 176.999 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' B' B ' 16' ' ' TYR . . . . . . . . . . . . . 52.5 t80 -61.72 -42.3 98.77 Favored 'General case' 0 CA--C 1.537 0.469 0 CA-C-N 119.208 0.913 . . . . 0.0 112.462 172.542 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 95.3 mt -70.33 -47.99 58.53 Favored 'General case' 0 CA--C 1.537 0.449 0 O-C-N 121.742 -0.599 . . . . 0.0 112.229 179.428 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' B' B ' 18' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -78.43 -38.07 22.27 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.221 0 CA-C-N 118.867 0.758 . . . . 0.0 112.587 -175.725 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' B' B ' 19' ' ' CYS . . . . . . . . . . . . . 25.9 t -106.18 -46.68 4.01 Favored 'General case' 0 CA--C 1.536 0.431 0 N-CA-C 112.532 0.568 . . . . 0.0 112.532 -174.465 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.47 0.923 0 C-N-CA 123.874 0.749 . . . . 0.0 112.549 -171.802 . . . . . . . . 0 0 . 1 . 028 nuclear build core ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 8.6 tp . . . . . 0 N--CA 1.481 1.123 0 N-CA-C 113.143 0.794 . . . . 0.0 113.143 . . . . . . . . . 0 0 . 1 . 028 nuclear build core ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 98.3 t -64.44 -34.95 72.83 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.906 0 C-N-CA 124.002 0.921 . . . . 0.0 110.9 179.288 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 38.2 mt-10 -77.41 -5.26 49.11 Favored 'General case' 0 CA--C 1.542 0.665 0 C-N-CA 124.1 0.96 . . . . 0.0 112.808 178.631 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 9.7 mt-30 -102.1 -53.29 2.96 Favored 'General case' 0 CA--C 1.536 0.41 0 CA-C-N 118.932 0.787 . . . . 0.0 111.215 166.641 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 92.3 m -87.5 -33.68 18.9 Favored 'General case' 0 N--CA 1.469 0.51 0 N-CA-C 115.468 1.655 . . . . 0.0 115.468 -168.367 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 14.1 t -78.4 -25.82 46.26 Favored 'General case' 0 N--CA 1.477 0.896 0 O-C-N 121.241 -0.912 . . . . 0.0 113.322 -179.865 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 5.4 t -89.58 -28.52 19.51 Favored 'General case' 0 N--CA 1.474 0.751 0 C-N-CA 125.024 1.33 . . . . 0.0 113.411 -179.192 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 16.9 m -158.01 174.47 15.18 Favored 'General case' 0 N--CA 1.474 0.774 0 C-N-CA 125.163 1.385 . . . . 0.0 112.535 -169.642 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 24.7 mm -59.55 124.97 14.85 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.864 0 O-C-N 121.158 -0.964 . . . . 0.0 109.094 168.533 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 21.8 p -114.08 147.57 38.53 Favored 'General case' 0 N--CA 1.47 0.56 0 C-N-CA 123.338 0.655 . . . . 0.0 111.946 170.276 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 38.0 m -97.69 152.09 19.46 Favored 'General case' 0 N--CA 1.471 0.586 0 C-N-CA 124.05 0.94 . . . . 0.0 112.556 -178.656 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 13' ' ' LEU . . . . . 0.589 ' H ' HD23 ' A' ' 13' ' ' LEU . 1.4 pt? -56.31 -43.83 79.34 Favored 'General case' 0 N--CA 1.464 0.26 0 C-N-CA 123.758 0.823 . . . . 0.0 111.817 -175.075 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 21.7 p90 -65.44 -16.66 63.86 Favored 'General case' 0 CA--C 1.538 0.509 0 N-CA-C 114.611 1.337 . . . . 0.0 114.611 -175.013 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 3.9 pt20 -111.42 -29.78 7.65 Favored 'General case' 0 N--CA 1.467 0.413 0 C-N-CA 123.99 0.916 . . . . 0.0 110.41 -177.747 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 16' ' ' LEU . . . . . 0.489 HD11 HG21 ' B' ' 18' ' ' VAL . 0.1 OUTLIER -69.86 -37.11 76.0 Favored 'General case' 0 CA--C 1.55 0.977 0 C-N-CA 124.001 0.92 . . . . 0.0 110.795 171.765 . . . . . . . . 3 3 . 1 . 028 nuclear build core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 13.2 mt-10 -50.79 -37.89 45.06 Favored 'General case' 0 N--CA 1.479 1.002 0 C-N-CA 126.861 2.065 . . . . 0.0 112.353 173.859 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 3.9 m-80 -62.35 -19.7 63.63 Favored 'General case' 0 CA--C 1.544 0.733 0 C-N-CA 123.88 0.872 . . . . 0.0 112.968 -175.41 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 95.9 m-85 -89.31 -3.16 58.6 Favored 'General case' 0 CA--C 1.542 0.648 0 C-N-CA 125.039 1.336 . . . . 0.0 113.974 177.94 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 28.9 t -69.23 -27.07 65.14 Favored 'General case' 0 CA--C 1.546 0.793 0 O-C-N 121.471 -0.768 . . . . 0.0 112.781 171.067 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 C--O 1.254 1.31 0 C-N-CA 126.025 1.73 . . . . 0.0 112.045 177.016 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' B' B ' 1' ' ' PHE . . . . . . . . . . . . . 69.0 t80 . . . . . 0 N--CA 1.487 1.389 0 CA-C-O 119.644 -0.217 . . . . 0.0 110.8 . . . . . . . . . 0 0 . 1 . 028 nuclear build core ' B' B ' 2' ' ' VAL . . . . . . . . . . . . . 91.6 t -130.44 119.59 46.47 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.02 0 C-N-CA 125.062 1.345 . . . . 0.0 108.838 173.617 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' B' B ' 3' ' ' ASN . . . . . . . . . . . . . 69.5 m-20 -60.65 122.06 13.77 Favored 'General case' 0 CA--C 1.535 0.367 0 C-N-CA 123.228 0.611 . . . . 0.0 110.18 170.079 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' B' B ' 4' ' ' GLN . . . . . . . . . . . . . 9.8 pt20 -159.38 179.04 9.3 Favored 'General case' 0 CA--C 1.534 0.348 0 C-N-CA 123.356 0.662 . . . . 0.0 111.296 -171.853 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' B' B ' 5' ' ' HIS . . . . . . . . . . . . . 76.9 m80 -81.22 128.28 33.61 Favored 'General case' 0 CA--C 1.544 0.725 0 C-N-CA 124.157 0.983 . . . . 0.0 110.105 170.162 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' B' B ' 6' ' ' LEU . . . . . 0.432 HD13 ' CB ' ' B' ' 14' ' ' ALA . 58.7 mt -139.73 134.64 32.17 Favored 'General case' 0 N--CA 1.471 0.625 0 C-N-CA 124.718 1.207 . . . . 0.0 110.78 -172.902 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' B' B ' 7' ' ' CYS . . . . . . . . . . . . . 1.8 t -157.73 145.68 18.82 Favored 'General case' 0 N--CA 1.469 0.479 0 C-N-CA 123.529 0.732 . . . . 0.0 111.59 -179.521 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' B' B ' 8' ' ' GLY . . . . . . . . . . . . . . . 60.07 -126.47 41.67 Favored Glycine 0 CA--C 1.53 1.009 0 C-N-CA 123.987 0.803 . . . . 0.0 112.327 -179.06 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' B' B ' 9' ' ' SER . . . . . . . . . . . . . 17.5 m -54.05 -39.55 66.32 Favored 'General case' 0 N--CA 1.471 0.591 0 C-N-CA 124.472 1.109 . . . . 0.0 112.652 177.984 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' B' B ' 10' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -63.12 -34.42 77.57 Favored 'General case' 0 N--CA 1.471 0.617 0 O-C-N 121.205 -0.934 . . . . 0.0 112.589 176.927 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 14.5 tp -74.18 -41.82 60.86 Favored 'General case' 0 CA--C 1.538 0.497 0 C-N-CA 124.272 1.029 . . . . 0.0 111.074 178.234 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 91.3 t -60.66 -41.63 88.87 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.139 0 C-N-CA 124.363 1.065 . . . . 0.0 111.375 171.18 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 25.4 mt-10 -59.33 -50.94 72.05 Favored 'General case' 0 CA--C 1.53 0.21 0 C-N-CA 123.507 0.723 . . . . 0.0 111.354 171.145 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' B' B ' 14' ' ' ALA . . . . . 0.537 ' O ' HG22 ' B' ' 18' ' ' VAL . . . -58.75 -46.14 88.11 Favored 'General case' 0 CA--C 1.532 0.287 0 CA-C-N 120.004 1.274 . . . . 0.0 112.691 179.713 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 3.8 mm? -56.55 -34.23 66.89 Favored 'General case' 0 N--CA 1.473 0.681 0 CA-C-N 118.919 0.781 . . . . 0.0 112.009 176.235 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' B' B ' 16' ' ' TYR . . . . . . . . . . . . . 87.8 t80 -66.24 -45.49 80.47 Favored 'General case' 0 CA--C 1.536 0.442 0 O-C-N 121.541 -0.724 . . . . 0.0 112.226 169.292 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 84.2 mt -63.48 -45.88 88.73 Favored 'General case' 0 N--CA 1.469 0.477 0 CA-C-N 119.122 0.874 . . . . 0.0 112.657 -179.143 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' B' B ' 18' ' ' VAL . . . . . 0.537 HG22 ' O ' ' B' ' 14' ' ' ALA . 0.0 OUTLIER -71.39 -46.02 66.44 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.019 0 CA-C-O 119.004 -0.522 . . . . 0.0 112.189 177.535 . . . . . . . . 3 3 . 1 . 028 nuclear build core ' B' B ' 19' ' ' CYS . . . . . . . . . . . . . 9.2 t -123.33 -30.89 3.62 Favored 'General case' 0 N--CA 1.474 0.733 0 N-CA-C 115.824 1.787 . . . . 0.0 115.824 -164.729 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.475 1.281 0 CA-C-N 119.162 0.892 . . . . 0.0 113.601 -173.205 . . . . . . . . 0 0 . 1 . 029 nuclear build core ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 9.0 tp . . . . . 0 N--CA 1.479 0.993 0 N-CA-C 113.589 0.959 . . . . 0.0 113.589 . . . . . . . . . 0 0 . 1 . 029 nuclear build core ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 93.7 t -72.06 -41.45 67.82 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.056 0 C-N-CA 123.628 0.771 . . . . 0.0 109.977 -177.951 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 1.1 pm0 -78.2 12.3 1.94 Allowed 'General case' 0 CA--C 1.547 0.861 0 C-N-CA 125.05 1.34 . . . . 0.0 113.557 173.755 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 20.9 mm-40 -109.62 -61.42 1.64 Allowed 'General case' 0 CA--C 1.537 0.47 0 O-C-N 120.646 -1.284 . . . . 0.0 110.94 152.313 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 98.5 m -75.92 -36.73 59.3 Favored 'General case' 0 CA--C 1.537 0.449 0 N-CA-C 115.469 1.655 . . . . 0.0 115.469 -167.951 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 14.1 t -77.25 -29.4 53.97 Favored 'General case' 0 N--CA 1.474 0.767 0 O-C-N 121.088 -1.008 . . . . 0.0 113.025 -179.715 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 12.5 t -88.12 -32.77 18.51 Favored 'General case' 0 N--CA 1.474 0.735 0 C-N-CA 124.845 1.258 . . . . 0.0 112.932 179.958 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 3.5 t -149.91 -175.64 5.12 Favored 'General case' 0 CA--C 1.542 0.638 0 N-CA-C 113.512 0.93 . . . . 0.0 113.512 -177.083 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 36.4 mm -60.52 129.79 23.55 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.417 0 C-N-CA 123.833 0.853 . . . . 0.0 109.662 169.867 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 17.6 p -124.49 148.86 47.43 Favored 'General case' 0 CA--C 1.537 0.452 0 CA-C-O 121.643 0.735 . . . . 0.0 112.137 167.626 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 50.9 m -108.05 157.12 18.53 Favored 'General case' 0 N--CA 1.469 0.502 0 C-N-CA 124.821 1.248 . . . . 0.0 112.542 -179.89 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 13' ' ' LEU . . . . . 0.588 ' H ' HD23 ' A' ' 13' ' ' LEU . 1.3 pt? -54.58 -44.85 73.35 Favored 'General case' 0 N--CA 1.463 0.215 0 C-N-CA 124.437 1.095 . . . . 0.0 111.863 -174.986 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 27.3 p90 -64.8 -16.93 63.73 Favored 'General case' 0 CA--C 1.538 0.499 0 N-CA-C 114.48 1.289 . . . . 0.0 114.48 -173.135 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 3.5 pt20 -115.28 -26.53 7.58 Favored 'General case' 0 CA--C 1.533 0.3 0 C-N-CA 124.352 1.061 . . . . 0.0 110.803 -176.291 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 16' ' ' LEU . . . . . 0.512 HD11 HG21 ' B' ' 18' ' ' VAL . 0.2 OUTLIER -72.92 -36.48 67.26 Favored 'General case' 0 CA--C 1.552 1.02 0 C-N-CA 124.167 0.987 . . . . 0.0 110.895 171.429 . . . . . . . . 3 3 . 1 . 029 nuclear build core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 13.3 mt-10 -50.71 -38.48 47.38 Favored 'General case' 0 N--CA 1.481 1.121 0 C-N-CA 126.949 2.099 . . . . 0.0 112.035 174.735 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 3.2 m-80 -60.22 -21.03 61.29 Favored 'General case' 0 CA--C 1.543 0.676 0 C-N-CA 124.643 1.177 . . . . 0.0 113.152 -176.093 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 96.4 m-85 -90.99 -5.62 55.13 Favored 'General case' 0 CA--C 1.54 0.589 0 C-N-CA 125.092 1.357 . . . . 0.0 114.268 179.995 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 17.1 t -71.65 -26.01 62.37 Favored 'General case' 0 CA--C 1.546 0.813 0 O-C-N 121.478 -0.763 . . . . 0.0 112.779 172.071 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 C--O 1.253 1.278 0 C-N-CA 126.203 1.801 . . . . 0.0 112.083 177.311 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' B' B ' 1' ' ' PHE . . . . . . . . . . . . . 39.6 t80 . . . . . 0 N--CA 1.487 1.393 0 CA-C-O 119.445 -0.312 . . . . 0.0 110.573 . . . . . . . . . 0 0 . 1 . 029 nuclear build core ' B' B ' 2' ' ' VAL . . . . . . . . . . . . . 59.8 t -120.93 126.07 74.78 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.09 0 C-N-CA 124.97 1.308 . . . . 0.0 108.928 176.09 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' B' B ' 3' ' ' ASN . . . . . . . . . . . . . 71.4 m-20 -80.79 114.08 19.43 Favored 'General case' 0 CA--C 1.538 0.486 0 N-CA-C 109.351 -0.611 . . . . 0.0 109.351 172.897 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' B' B ' 4' ' ' GLN . . . . . . . . . . . . . 7.8 pt20 -157.78 -179.45 8.16 Favored 'General case' 0 CA--C 1.537 0.446 0 C-N-CA 123.915 0.886 . . . . 0.0 111.327 -171.129 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' B' B ' 5' ' ' HIS . . . . . . . . . . . . . 69.8 m80 -76.41 137.1 39.54 Favored 'General case' 0 CA--C 1.544 0.733 0 C-N-CA 124.434 1.094 . . . . 0.0 110.124 166.208 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 72.3 mt -146.13 132.72 19.83 Favored 'General case' 0 N--CA 1.473 0.677 0 C-N-CA 125.586 1.554 . . . . 0.0 110.246 -175.837 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' B' B ' 7' ' ' CYS . . . . . . . . . . . . . 3.3 t -156.08 146.14 21.39 Favored 'General case' 0 N--CA 1.469 0.509 0 C-N-CA 123.402 0.681 . . . . 0.0 111.74 -178.385 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' B' B ' 8' ' ' GLY . . . . . . . . . . . . . . . 60.66 -126.36 40.82 Favored Glycine 0 CA--C 1.529 0.953 0 C-N-CA 123.874 0.749 . . . . 0.0 112.485 179.77 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' B' B ' 9' ' ' SER . . . . . . . . . . . . . 8.8 t -56.01 -38.68 70.82 Favored 'General case' 0 N--CA 1.473 0.683 0 C-N-CA 123.67 0.788 . . . . 0.0 112.421 178.105 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' B' B ' 10' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -62.78 -34.86 78.13 Favored 'General case' 0 N--CA 1.474 0.758 0 O-C-N 120.842 -1.162 . . . . 0.0 112.776 175.329 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 15.0 tp -73.23 -42.93 62.02 Favored 'General case' 0 CA--C 1.536 0.43 0 C-N-CA 124.096 0.958 . . . . 0.0 111.083 177.405 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 92.9 t -60.03 -42.38 89.51 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.053 0 C-N-CA 124.18 0.992 . . . . 0.0 111.117 172.185 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 21.3 mt-10 -58.5 -48.74 79.81 Favored 'General case' 0 CA--C 1.531 0.221 0 C-N-CA 123.479 0.711 . . . . 0.0 111.694 171.918 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' B' B ' 14' ' ' ALA . . . . . 0.555 ' O ' HG22 ' B' ' 18' ' ' VAL . . . -59.1 -47.01 86.82 Favored 'General case' 0 CA--C 1.532 0.275 0 CA-C-N 119.881 1.219 . . . . 0.0 112.616 178.114 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 3.9 mm? -56.73 -35.73 68.9 Favored 'General case' 0 N--CA 1.472 0.658 0 CA-C-N 118.87 0.759 . . . . 0.0 112.105 176.15 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' B' B ' 16' ' ' TYR . . . . . . . . . . . . . 84.3 t80 -63.06 -45.74 90.79 Favored 'General case' 0 CA--C 1.535 0.396 0 CA-C-N 118.842 0.747 . . . . 0.0 112.028 169.975 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 86.7 mt -62.71 -52.66 62.39 Favored 'General case' 0 CA--C 1.537 0.472 0 CA-C-N 119.244 0.929 . . . . 0.0 111.882 179.436 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' B' B ' 18' ' ' VAL . . . . . 0.555 HG22 ' O ' ' B' ' 14' ' ' ALA . 0.1 OUTLIER -69.44 -43.85 80.48 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.968 0 N-CA-C 112.657 0.614 . . . . 0.0 112.657 -177.178 . . . . . . . . 3 3 . 1 . 029 nuclear build core ' B' B ' 19' ' ' CYS . . . . . . . . . . . . . 7.9 t -115.35 -20.08 10.45 Favored 'General case' 0 N--CA 1.474 0.726 0 N-CA-C 115.209 1.559 . . . . 0.0 115.209 -165.688 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.475 1.272 0 C-N-CA 124.485 1.04 . . . . 0.0 113.133 179.109 . . . . . . . . 0 0 . 1 . 030 nuclear build core ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 4.9 tp . . . . . 0 N--CA 1.486 1.331 0 CA-C-O 120.357 0.122 . . . . 0.0 111.035 . . . . . . . . . 0 0 . 1 . 030 nuclear build core ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 96.4 t -64.14 -41.9 93.89 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.043 0 C-N-CA 124.836 1.254 . . . . 0.0 110.669 -177.462 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 1.3 pm0 -72.36 9.06 1.12 Allowed 'General case' 0 CA--C 1.545 0.76 0 C-N-CA 125.018 1.327 . . . . 0.0 113.557 175.813 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 24.6 mm-40 -121.86 -54.21 1.94 Allowed 'General case' 0 CA--C 1.537 0.455 0 C-N-CA 124.814 1.245 . . . . 0.0 110.709 169.25 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 2.2 t -90.58 -23.64 20.79 Favored 'General case' 0 N--CA 1.473 0.712 0 N-CA-C 115.255 1.576 . . . . 0.0 115.255 -172.267 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 13.6 t -75.05 -27.45 60.0 Favored 'General case' 0 N--CA 1.479 0.987 0 O-C-N 120.572 -1.33 . . . . 0.0 112.719 170.18 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 11.2 t -94.06 -32.26 13.87 Favored 'General case' 0 N--CA 1.475 0.814 0 C-N-CA 125.155 1.382 . . . . 0.0 112.995 179.84 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 4.5 t -144.38 -173.4 4.02 Favored 'General case' 0 CA--C 1.543 0.694 0 C-N-CA 124.418 1.087 . . . . 0.0 113.15 -179.377 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 31.0 mm -66.65 136.12 27.28 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.542 0 O-C-N 120.736 -1.228 . . . . 0.0 110.578 174.791 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 16.2 p -123.56 159.1 29.91 Favored 'General case' 0 N--CA 1.471 0.598 0 CA-C-O 121.913 0.864 . . . . 0.0 112.399 157.181 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 32.3 m -130.29 150.82 51.36 Favored 'General case' 0 N--CA 1.466 0.333 0 C-N-CA 125.556 1.542 . . . . 0.0 110.214 -173.221 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 13' ' ' LEU . . . . . 0.505 ' H ' HD23 ' A' ' 13' ' ' LEU . 1.6 pt? -54.94 -40.03 69.52 Favored 'General case' 0 N--CA 1.463 0.191 0 C-N-CA 123.727 0.811 . . . . 0.0 112.287 -170.234 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 29.3 p90 -68.55 -13.78 62.56 Favored 'General case' 0 CA--C 1.534 0.332 0 C-N-CA 124.855 1.262 . . . . 0.0 114.262 -174.351 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 9.4 pt20 -122.04 -26.43 4.76 Favored 'General case' 0 C--O 1.222 -0.38 0 C-N-CA 123.887 0.875 . . . . 0.0 111.48 179.931 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 16' ' ' LEU . . . . . 0.481 HD11 HG21 ' B' ' 18' ' ' VAL . 0.3 OUTLIER -76.27 -27.54 56.71 Favored 'General case' 0 CA--C 1.545 0.764 0 CA-C-N 119.977 1.262 . . . . 0.0 112.003 179.033 . . . . . . . . 3 3 . 1 . 030 nuclear build core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 17.1 mt-10 -51.04 -33.78 26.81 Favored 'General case' 0 N--CA 1.48 1.046 0 C-N-CA 123.853 0.861 . . . . 0.0 111.881 169.627 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 50.8 m-20 -60.87 -24.34 65.85 Favored 'General case' 0 CA--C 1.543 0.71 0 C-N-CA 124.887 1.275 . . . . 0.0 112.882 -175.05 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 63.0 m-85 -87.92 -7.56 56.98 Favored 'General case' 0 CA--C 1.543 0.679 0 C-N-CA 126.213 1.805 . . . . 0.0 113.42 -177.418 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 35.7 t -68.42 -29.82 68.58 Favored 'General case' 0 CA--C 1.544 0.736 0 N-CA-C 113.34 0.867 . . . . 0.0 113.34 179.583 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 C--O 1.253 1.289 0 C-N-CA 125.949 1.7 . . . . 0.0 111.21 -177.493 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' B' B ' 1' ' ' PHE . . . . . . . . . . . . . 36.1 t80 . . . . . 0 N--CA 1.487 1.416 0 CA-C-O 119.606 -0.235 . . . . 0.0 110.669 . . . . . . . . . 0 0 . 1 . 030 nuclear build core ' B' B ' 2' ' ' VAL . . . . . . . . . . . . . 65.5 t -126.99 127.96 70.22 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.046 0 C-N-CA 124.947 1.299 . . . . 0.0 108.946 175.469 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' B' B ' 3' ' ' ASN . . . . . . . . . . . . . 69.8 m-20 -81.37 115.98 20.98 Favored 'General case' 0 CA--C 1.539 0.547 0 N-CA-C 109.39 -0.596 . . . . 0.0 109.39 173.058 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' B' B ' 4' ' ' GLN . . . . . . . . . . . . . 8.5 pt20 -160.86 -178.87 7.12 Favored 'General case' 0 CA--C 1.537 0.463 0 C-N-CA 123.75 0.82 . . . . 0.0 111.442 -170.216 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' B' B ' 5' ' ' HIS . . . . . . . . . . . . . 65.1 m80 -77.44 138.08 39.05 Favored 'General case' 0 CA--C 1.545 0.788 0 C-N-CA 124.599 1.16 . . . . 0.0 109.761 165.929 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 79.9 mt -145.12 139.57 27.4 Favored 'General case' 0 N--CA 1.473 0.684 0 C-N-CA 125.304 1.442 . . . . 0.0 110.547 -176.883 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' B' B ' 7' ' ' CYS . . . . . . . . . . . . . 2.8 t -155.51 147.41 23.33 Favored 'General case' 0 N--CA 1.468 0.444 0 O-C-N 121.656 -0.653 . . . . 0.0 111.925 -179.01 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' B' B ' 8' ' ' GLY . . . . . . . . . . . . . . . 60.18 -129.13 47.3 Favored Glycine 0 N--CA 1.47 0.941 0 C-N-CA 123.956 0.789 . . . . 0.0 112.373 179.94 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' B' B ' 9' ' ' SER . . . . . . . . . . . . . 16.3 m -53.61 -39.71 65.13 Favored 'General case' 0 N--CA 1.469 0.514 0 C-N-CA 124.5 1.12 . . . . 0.0 112.66 178.33 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' B' B ' 10' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -62.68 -36.96 84.58 Favored 'General case' 0 CA--C 1.543 0.701 0 O-C-N 121.255 -0.903 . . . . 0.0 112.625 178.004 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 16.1 tp -73.49 -43.8 59.34 Favored 'General case' 0 CA--C 1.536 0.429 0 C-N-CA 124.644 1.178 . . . . 0.0 110.97 177.889 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 77.8 t -60.23 -43.1 92.59 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.015 0 C-N-CA 123.874 0.87 . . . . 0.0 111.134 173.594 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 22.5 mt-10 -59.19 -44.74 92.2 Favored 'General case' 0 N--CA 1.467 0.395 0 C-N-CA 124.43 1.092 . . . . 0.0 112.15 174.006 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -61.33 -51.06 70.43 Favored 'General case' 0 N--CA 1.453 -0.3 0 CA-C-O 118.384 -0.817 . . . . 0.0 111.243 176.479 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 4.0 mm? -54.26 -39.37 66.8 Favored 'General case' 0 N--CA 1.472 0.634 0 CA-C-N 119.18 0.9 . . . . 0.0 112.171 177.832 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' B' B ' 16' ' ' TYR . . . . . . . . . . . . . 63.5 t80 -60.45 -45.74 92.57 Favored 'General case' 0 N--CA 1.467 0.387 0 CA-C-N 118.816 0.735 . . . . 0.0 112.152 172.666 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 96.1 mt -65.66 -51.85 56.27 Favored 'General case' 0 CA--C 1.536 0.432 0 CA-C-N 118.675 0.67 . . . . 0.0 111.74 177.984 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' B' B ' 18' ' ' VAL . . . . . 0.481 HG21 HD11 ' A' ' 16' ' ' LEU . 0.0 OUTLIER -75.55 -30.27 21.78 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.162 0 CA-C-O 118.232 -0.89 . . . . 0.0 113.163 -172.254 . . . . . . . . 3 3 . 1 . 030 nuclear build core ' B' B ' 19' ' ' CYS . . . . . . . . . . . . . 21.3 t -113.33 -36.31 5.04 Favored 'General case' 0 CA--C 1.538 0.499 0 N-CA-C 114.33 1.234 . . . . 0.0 114.33 -174.409 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.981 0 C-N-CA 124.045 0.831 . . . . 0.0 112.896 -176.454 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.478 1.457 0 N-CA-C 111.872 -0.491 . . . . 0.0 111.872 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 8.4 tp -64.74 -36.79 78.48 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.087 0 C-N-CA 124.285 1.034 . . . . 0.0 113.576 -173.784 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 93.5 t -64.03 -41.92 94.04 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.929 0 O-C-N 121.457 -0.777 . . . . 0.0 110.187 177.668 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 42.4 mp0 -73.04 -6.46 45.72 Favored 'General case' 0 CA--C 1.547 0.828 0 C-N-CA 124.003 0.921 . . . . 0.0 113.06 176.076 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 40.3 tp60 -98.78 -40.93 7.9 Favored 'General case' 0 CA--C 1.54 0.577 0 C-N-CA 124.44 1.096 . . . . 0.0 111.807 174.017 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 89.4 m -107.52 -30.49 8.6 Favored 'General case' 0 N--CA 1.475 0.799 0 N-CA-C 115.933 1.827 . . . . 0.0 115.933 -171.872 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 23.7 t -78.82 -33.83 45.77 Favored 'General case' 0 N--CA 1.479 0.999 0 O-C-N 120.954 -1.091 . . . . 0.0 113.661 -177.089 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 6.4 t -82.71 -30.25 29.25 Favored 'General case' 0 N--CA 1.477 0.911 0 C-N-CA 125.285 1.434 . . . . 0.0 113.246 -177.828 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 93.1 p -164.24 170.45 16.24 Favored 'General case' 0 CA--C 1.536 0.436 0 C-N-CA 126.69 1.996 . . . . 0.0 110.536 -172.544 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 9.8 mt -71.23 130.69 35.02 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.455 0 O-C-N 121.412 -0.805 . . . . 0.0 112.367 -170.291 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 18.8 p -115.69 166.36 12.02 Favored 'General case' 0 CA--C 1.541 0.609 0 C-N-CA 125.098 1.359 . . . . 0.0 111.619 171.228 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 50.7 m -131.43 155.35 47.49 Favored 'General case' 0 N--CA 1.467 0.391 0 C-N-CA 124.912 1.285 . . . . 0.0 111.261 -173.571 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 13' ' ' LEU . . . . . 0.55 ' H ' HD23 ' A' ' 13' ' ' LEU . 1.4 pt? -53.93 -42.86 69.26 Favored 'General case' 0 N--CA 1.464 0.248 0 C-N-CA 124.261 1.024 . . . . 0.0 111.929 -172.899 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 27.6 p90 -67.08 -13.87 62.35 Favored 'General case' 0 CA--C 1.536 0.43 0 N-CA-C 114.569 1.322 . . . . 0.0 114.569 -173.874 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 5.1 pt20 -118.36 -31.83 4.83 Favored 'General case' 0 C--O 1.223 -0.315 0 C-N-CA 123.956 0.902 . . . . 0.0 110.848 -178.641 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 16' ' ' LEU . . . . . 0.539 HD11 HG21 ' B' ' 18' ' ' VAL . 0.2 OUTLIER -70.06 -32.41 70.5 Favored 'General case' 0 CA--C 1.549 0.939 0 CA-C-N 119.21 0.913 . . . . 0.0 111.175 176.854 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 13.8 mt-10 -46.37 -36.98 6.94 Favored 'General case' 0 N--CA 1.479 0.977 0 C-N-CA 126.237 1.815 . . . . 0.0 112.548 169.782 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 80.9 m-20 -62.4 -24.52 67.44 Favored 'General case' 0 CA--C 1.541 0.628 0 C-N-CA 124.795 1.238 . . . . 0.0 112.89 -173.893 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 85.4 m-85 -88.18 -1.15 57.84 Favored 'General case' 0 CA--C 1.544 0.722 0 C-N-CA 126.164 1.786 . . . . 0.0 113.777 -176.134 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 6.6 t -76.06 -3.93 38.6 Favored 'General case' 0 CA--C 1.551 1.004 0 C-N-CA 124.148 0.979 . . . . 0.0 113.596 173.506 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 5.6 p-10 . . . . . 0 C--O 1.253 1.274 0 C-N-CA 126.48 1.912 . . . . 0.0 114.457 179.467 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' B' B ' 1' ' ' PHE . . . . . . . . . . . . . 38.7 t80 . . . . . 0 N--CA 1.487 1.399 0 CA-C-O 119.577 -0.249 . . . . 0.0 110.715 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' B' B ' 2' ' ' VAL . . . . . . . . . . . . . 61.5 t -128.46 127.94 67.61 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.05 0 C-N-CA 124.963 1.305 . . . . 0.0 108.962 174.983 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 3' ' ' ASN . . . . . . . . . . . . . 72.9 m-20 -81.53 112.69 18.99 Favored 'General case' 0 CA--C 1.537 0.453 0 C-N-CA 123.178 0.591 . . . . 0.0 109.52 172.573 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 4' ' ' GLN . . . . . . . . . . . . . 6.0 pt20 -158.46 -179.1 7.78 Favored 'General case' 0 CA--C 1.537 0.463 0 C-N-CA 125.251 1.42 . . . . 0.0 110.829 -172.703 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 5' ' ' HIS . . . . . . . . . . . . . 70.3 m-70 -75.18 136.12 41.04 Favored 'General case' 0 CA--C 1.542 0.672 0 C-N-CA 124.257 1.023 . . . . 0.0 109.835 167.574 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 86.9 mt -143.65 133.93 24.53 Favored 'General case' 0 N--CA 1.47 0.537 0 C-N-CA 124.942 1.297 . . . . 0.0 110.295 -175.812 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 7' ' ' CYS . . . . . . . . . . . . . 1.8 t -157.0 146.42 20.42 Favored 'General case' 0 N--CA 1.468 0.462 0 C-N-CA 123.665 0.786 . . . . 0.0 111.403 -175.715 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 8' ' ' GLY . . . . . . . . . . . . . . . 58.71 -127.28 44.85 Favored Glycine 0 CA--C 1.531 1.046 0 C-N-CA 123.902 0.763 . . . . 0.0 112.717 179.394 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 9' ' ' SER . . . . . . . . . . . . . 8.8 t -56.33 -38.1 70.87 Favored 'General case' 0 N--CA 1.473 0.687 0 C-N-CA 123.746 0.819 . . . . 0.0 112.607 178.698 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 10' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -62.75 -35.13 78.8 Favored 'General case' 0 CA--C 1.544 0.741 0 O-C-N 120.73 -1.231 . . . . 0.0 112.623 175.673 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 15.8 tp -74.12 -42.19 60.42 Favored 'General case' 0 CA--C 1.536 0.441 0 C-N-CA 124.398 1.079 . . . . 0.0 111.072 177.484 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 91.2 t -59.81 -41.79 86.82 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.106 0 C-N-CA 124.12 0.968 . . . . 0.0 111.189 171.532 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 19.7 mt-10 -58.77 -49.67 76.78 Favored 'General case' 0 N--CA 1.465 0.304 0 C-N-CA 123.425 0.69 . . . . 0.0 111.595 171.794 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 14' ' ' ALA . . . . . 0.539 ' O ' HG22 ' B' ' 18' ' ' VAL . . . -58.58 -47.0 85.75 Favored 'General case' 0 CA--C 1.534 0.364 0 CA-C-N 119.85 1.205 . . . . 0.0 112.529 177.724 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 3.9 mm? -57.2 -35.09 69.21 Favored 'General case' 0 N--CA 1.47 0.543 0 C-N-CA 123.549 0.74 . . . . 0.0 112.095 176.181 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 16' ' ' TYR . . . . . . . . . . . . . 90.0 t80 -62.48 -45.1 94.56 Favored 'General case' 0 CA--C 1.536 0.421 0 O-C-N 121.294 -0.878 . . . . 0.0 112.018 169.94 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 77.5 mt -65.97 -47.04 75.92 Favored 'General case' 0 N--CA 1.466 0.368 0 CA-C-N 118.868 0.758 . . . . 0.0 112.584 -178.079 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 18' ' ' VAL . . . . . 0.539 HG21 HD11 ' A' ' 16' ' ' LEU . 0.1 OUTLIER -72.99 -40.65 59.44 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.944 0 N-CA-C 112.928 0.714 . . . . 0.0 112.928 -179.989 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' B' B ' 19' ' ' CYS . . . . . . . . . . . . . 18.9 t -127.11 -36.79 2.13 Favored 'General case' 0 N--CA 1.473 0.676 0 N-CA-C 114.713 1.375 . . . . 0.0 114.713 -167.134 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . -75.37 -38.66 38.13 Favored Glycine 0 N--CA 1.476 1.346 0 O-C-N 121.529 -0.732 . . . . 0.0 113.218 -169.607 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 38.8 tt0 -63.07 -42.19 99.61 Favored 'General case' 0 CA--C 1.539 0.552 0 C-N-CA 124.842 1.257 . . . . 0.0 110.885 172.938 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 22' ' ' ARG . . . . . . . . . . . . . 72.4 mtp85 -65.65 -10.78 39.17 Favored 'General case' 0 CA--C 1.543 0.705 0 C-N-CA 124.454 1.102 . . . . 0.0 113.438 174.888 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . -74.79 -31.29 58.45 Favored Glycine 0 CA--C 1.529 0.939 0 C-N-CA 125.415 1.483 . . . . 0.0 113.637 175.856 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 24' ' ' HIS . . . . . . . . . . . . . 29.5 p80 -114.54 -21.12 10.45 Favored 'General case' 0 CA--C 1.548 0.869 0 N-CA-C 114.864 1.431 . . . . 0.0 114.864 177.229 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 25' ' ' PHE . . . . . . . . . . . . . 81.4 t80 -64.96 151.17 46.54 Favored 'General case' 0 CA--C 1.543 0.694 0 C-N-CA 124.021 0.928 . . . . 0.0 111.646 171.97 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 26' ' ' TYR . . . . . . . . . . . . . 52.8 t80 -66.37 148.75 51.41 Favored 'General case' 0 CA--C 1.543 0.679 0 N-CA-C 113.862 1.06 . . . . 0.0 113.862 -176.194 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 27' ' ' THR . . . . . . . . . . . . . 20.8 p -127.11 102.7 23.98 Favored Pre-proline 0 N--CA 1.473 0.698 0 C-N-CA 125.889 1.676 . . . . 0.0 109.466 176.329 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 28' ' ' PRO . . . . . . . . . . . . . 78.3 Cg_exo -59.37 162.57 14.28 Favored 'Trans proline' 0 C--N 1.351 0.676 0 C-N-CA 124.086 3.191 . . . . 0.0 114.34 177.452 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 43.0 tttm -68.29 139.62 55.94 Favored 'General case' 0 CA--C 1.55 0.954 0 C-N-CA 124.206 1.002 . . . . 0.0 112.49 179.348 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 30' ' ' THR . . . . . . . . . . . . . 6.0 t . . . . . 0 C--O 1.254 1.34 0 C-N-CA 125.25 1.42 . . . . 0.0 113.241 171.826 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.483 1.796 0 N-CA-C 112.286 -0.326 . . . . 0.0 112.286 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 6.8 tp -58.28 -35.42 53.42 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.239 0 C-N-CA 125.497 1.519 . . . . 0.0 113.909 -172.151 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 91.5 t -64.01 -33.66 63.66 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.008 0 C-N-CA 123.823 0.849 . . . . 0.0 111.113 176.928 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 29.6 tt0 -82.46 -3.34 55.58 Favored 'General case' 0 CA--C 1.549 0.911 0 C-N-CA 124.893 1.277 . . . . 0.0 112.579 175.875 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 8.6 tp-100 -96.57 -48.66 5.44 Favored 'General case' 0 CA--C 1.538 0.505 0 O-C-N 120.975 -1.078 . . . . 0.0 110.656 167.827 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 65.0 m -108.72 -26.79 10.15 Favored 'General case' 0 N--CA 1.47 0.557 0 N-CA-C 116.511 2.041 . . . . 0.0 116.511 -166.128 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 47.8 t -86.99 -35.24 18.93 Favored 'General case' 0 N--CA 1.478 0.97 0 CA-C-N 120.546 1.521 . . . . 0.0 113.255 179.885 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 5.2 t -79.37 -21.15 46.15 Favored 'General case' 0 N--CA 1.475 0.82 0 C-N-CA 125.017 1.327 . . . . 0.0 113.32 178.95 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 26.9 p -157.45 163.15 38.81 Favored 'General case' 0 CA--C 1.542 0.655 0 C-N-CA 125.302 1.441 . . . . 0.0 112.141 -171.658 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 20.6 mm -60.43 129.21 22.71 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.892 0 O-C-N 121.477 -0.764 . . . . 0.0 109.471 172.08 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 16.8 p -120.35 157.94 28.17 Favored 'General case' 0 N--CA 1.47 0.554 0 CA-C-O 121.852 0.834 . . . . 0.0 113.07 172.453 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 30.6 m -104.92 152.32 22.8 Favored 'General case' 0 CA--C 1.535 0.397 0 C-N-CA 124.973 1.309 . . . . 0.0 112.129 177.873 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 13' ' ' LEU . . . . . 0.527 ' H ' HD23 ' A' ' 13' ' ' LEU . 1.8 pt? -57.04 -41.84 79.38 Favored 'General case' 0 CA--C 1.531 0.215 0 C-N-CA 124.097 0.959 . . . . 0.0 112.256 -176.632 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 19.6 p90 -69.02 -15.85 63.57 Favored 'General case' 0 CA--C 1.535 0.394 0 C-N-CA 124.749 1.22 . . . . 0.0 114.048 -172.982 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 3.2 pt20 -109.53 -26.2 10.07 Favored 'General case' 0 C--O 1.224 -0.283 0 C-N-CA 123.85 0.86 . . . . 0.0 110.649 179.686 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -75.47 -30.67 60.0 Favored 'General case' 0 CA--C 1.548 0.884 0 CA-C-N 119.113 0.87 . . . . 0.0 111.541 176.141 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 23.6 mt-10 -53.18 -36.12 60.57 Favored 'General case' 0 N--CA 1.479 1.023 0 C-N-CA 124.41 1.084 . . . . 0.0 112.147 170.906 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 7.5 m-80 -64.21 -14.07 52.98 Favored 'General case' 0 CA--C 1.547 0.853 0 N-CA-C 113.395 0.887 . . . . 0.0 113.395 -176.026 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 88.7 m-85 -91.27 -5.28 54.97 Favored 'General case' 0 CA--C 1.544 0.746 0 C-N-CA 125.296 1.438 . . . . 0.0 113.386 174.689 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 15.4 t -72.96 -27.79 62.04 Favored 'General case' 0 CA--C 1.544 0.725 0 C-N-CA 124.328 1.051 . . . . 0.0 112.653 172.273 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 35.4 m120 . . . . . 0 C--O 1.253 1.279 0 C-N-CA 125.923 1.689 . . . . 0.0 113.021 179.318 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' B' B ' 1' ' ' PHE . . . . . . . . . . . . . 74.5 t80 . . . . . 0 N--CA 1.487 1.404 0 N-CA-C 110.712 -0.107 . . . . 0.0 110.712 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' B' B ' 2' ' ' VAL . . . . . . . . . . . . . 90.4 t -132.06 121.84 47.52 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.949 0 C-N-CA 124.967 1.307 . . . . 0.0 108.301 169.982 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 3' ' ' ASN . . . . . . . . . . . . . 8.6 m120 -61.84 113.97 3.07 Favored 'General case' 0 CA--C 1.537 0.459 0 C-N-CA 123.967 0.907 . . . . 0.0 110.026 172.486 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 4' ' ' GLN . . . . . . . . . . . . . 12.5 pt20 -156.91 178.74 10.01 Favored 'General case' 0 CA--C 1.532 0.287 0 C-N-CA 123.782 0.833 . . . . 0.0 111.185 -172.492 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 5' ' ' HIS . . . . . . . . . . . . . 74.3 m80 -82.99 124.93 30.86 Favored 'General case' 0 CA--C 1.544 0.715 0 C-N-CA 123.954 0.902 . . . . 0.0 110.184 167.48 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 97.0 mt -125.16 124.37 41.64 Favored 'General case' 0 N--CA 1.466 0.364 0 C-N-CA 125.453 1.501 . . . . 0.0 110.185 -177.285 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 7' ' ' CYS . . . . . . . . . . . . . 65.2 m -139.28 150.47 45.49 Favored 'General case' 0 N--CA 1.469 0.508 0 C-N-CA 125.467 1.507 . . . . 0.0 110.307 -175.958 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 8' ' ' GLY . . . . . . . . . . . . . . . 57.93 -130.85 51.61 Favored Glycine 0 N--CA 1.471 0.981 0 C-N-CA 123.682 0.658 . . . . 0.0 112.402 174.478 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 9' ' ' SER . . . . . . . . . . . . . 22.5 m -54.05 -42.85 69.69 Favored 'General case' 0 N--CA 1.47 0.569 0 C-N-CA 124.148 0.979 . . . . 0.0 112.608 177.294 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 10' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -57.05 -35.91 69.89 Favored 'General case' 0 N--CA 1.475 0.793 0 C-N-CA 123.936 0.895 . . . . 0.0 112.627 -177.866 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 19.5 tp -71.6 -31.19 66.65 Favored 'General case' 0 CA--C 1.538 0.51 0 C-N-CA 124.73 1.212 . . . . 0.0 112.47 177.838 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 94.8 t -81.66 -36.81 14.76 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.967 0 C-N-CA 124.722 1.209 . . . . 0.0 109.558 -179.534 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 2.4 mt-10 -52.3 -52.58 52.17 Favored 'General case' 0 N--CA 1.451 -0.424 0 C-N-CA 125.711 1.604 . . . . 0.0 110.628 164.043 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 14' ' ' ALA . . . . . 0.497 ' O ' HG23 ' B' ' 18' ' ' VAL . . . -58.05 -52.22 66.43 Favored 'General case' 0 N--CA 1.451 -0.415 0 CA-C-O 117.968 -1.015 . . . . 0.0 111.451 179.597 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 3.7 mm? -54.39 -38.57 66.34 Favored 'General case' 0 N--CA 1.471 0.602 0 CA-C-N 119.54 1.064 . . . . 0.0 112.413 177.249 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 16' ' ' TYR . . . . . . . . . . . . . 79.3 t80 -63.37 -46.37 86.8 Favored 'General case' 0 CA--C 1.539 0.529 0 CA-C-N 119.09 0.859 . . . . 0.0 112.168 171.525 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 27.1 mt -64.53 -43.93 92.45 Favored 'General case' 0 CA--C 1.537 0.467 0 C-N-CA 124.514 1.126 . . . . 0.0 112.517 -178.012 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 18' ' ' VAL . . . . . 0.497 HG23 ' O ' ' B' ' 14' ' ' ALA . 0.0 OUTLIER -80.98 -43.34 20.66 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.202 0 CA-C-N 118.541 0.61 . . . . 0.0 112.157 -178.24 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' B' B ' 19' ' ' CYS . . . . . . . . . . . . . 24.2 t -102.34 -42.54 5.96 Favored 'General case' 0 CA--C 1.54 0.59 0 N-CA-C 113.733 1.012 . . . . 0.0 113.733 -170.224 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . -86.77 -47.12 4.92 Favored Glycine 0 N--CA 1.474 1.22 0 C-N-CA 124.144 0.878 . . . . 0.0 113.969 -167.339 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 37.1 tt0 -62.56 -35.96 81.13 Favored 'General case' 0 CA--C 1.539 0.529 0 C-N-CA 124.753 1.221 . . . . 0.0 111.807 -176.15 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 22' ' ' ARG . . . . . . . . . . . . . 30.1 mtm105 -61.91 -10.07 8.52 Favored 'General case' 0 CA--C 1.543 0.711 0 N-CA-C 114.06 1.133 . . . . 0.0 114.06 176.946 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . -70.44 -23.03 77.83 Favored Glycine 0 CA--C 1.531 1.06 0 C-N-CA 125.178 1.37 . . . . 0.0 114.084 171.099 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 24' ' ' HIS . . . . . . . . . . . . . 28.0 p80 -128.92 -23.19 3.11 Favored 'General case' 0 CA--C 1.549 0.926 0 N-CA-C 115.668 1.729 . . . . 0.0 115.668 177.625 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 25' ' ' PHE . . . . . . . . . . . . . 87.0 t80 -158.07 130.45 7.12 Favored 'General case' 0 CA--C 1.538 0.516 0 CA-C-N 119.473 1.033 . . . . 0.0 112.766 179.39 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 26' ' ' TYR . . . . . . . . . . . . . 41.2 t80 -148.83 153.27 37.86 Favored 'General case' 0 CA--C 1.543 0.688 0 C-N-CA 125.423 1.489 . . . . 0.0 111.689 175.19 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 27' ' ' THR . . . . . . . . . . . . . 23.2 p -115.8 90.7 27.94 Favored Pre-proline 0 N--CA 1.472 0.665 0 C-N-CA 126.259 1.824 . . . . 0.0 110.023 179.591 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 28' ' ' PRO . . . . . . . . . . . . . 91.3 Cg_endo -74.82 164.09 34.26 Favored 'Trans proline' 0 C--N 1.351 0.679 0 C-N-CA 123.515 2.81 . . . . 0.0 111.796 179.747 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 43.4 tttm -81.8 17.67 1.45 Allowed 'General case' 0 CA--C 1.553 1.086 0 C-N-CA 124.855 1.262 . . . . 0.0 113.913 -178.631 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 30' ' ' THR . . . . . . . . . . . . . 26.2 m . . . . . 0 C--O 1.252 1.213 0 C-N-CA 127.212 2.205 . . . . 0.0 112.521 -179.004 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.482 1.722 0 N-CA-C 112.607 -0.197 . . . . 0.0 112.607 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 7.9 tp -58.18 -34.52 49.85 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.17 0 C-N-CA 125.912 1.685 . . . . 0.0 113.964 -173.322 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 60.3 t -63.67 -32.34 56.5 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.987 0 C-N-CA 124.098 0.959 . . . . 0.0 111.118 176.792 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 40.2 mt-10 -81.24 5.79 16.04 Favored 'General case' 0 CA--C 1.546 0.803 0 C-N-CA 125.218 1.407 . . . . 0.0 112.368 175.42 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 18.9 mm-40 -110.94 -63.84 1.35 Allowed 'General case' 0 CA--C 1.534 0.354 0 C-N-CA 124.368 1.067 . . . . 0.0 110.224 164.212 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 86.9 m -83.65 -30.65 26.68 Favored 'General case' 0 N--CA 1.469 0.491 0 N-CA-C 115.394 1.627 . . . . 0.0 115.394 -167.93 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 25.4 t -83.76 -26.4 29.7 Favored 'General case' 0 N--CA 1.475 0.796 0 CA-C-N 119.577 1.08 . . . . 0.0 113.012 -179.336 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 8.4 t -85.08 -34.94 22.13 Favored 'General case' 0 N--CA 1.473 0.722 0 C-N-CA 124.661 1.184 . . . . 0.0 112.905 177.363 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 60.7 m -145.8 172.52 13.19 Favored 'General case' 0 CA--C 1.544 0.741 0 C-N-CA 124.898 1.279 . . . . 0.0 112.426 -172.493 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 21.9 mm -61.52 124.57 16.25 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.837 0 O-C-N 120.85 -1.156 . . . . 0.0 108.732 166.222 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 23.7 p -110.94 147.02 35.56 Favored 'General case' 0 N--CA 1.469 0.497 0 C-N-CA 123.392 0.677 . . . . 0.0 112.044 171.953 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 50.8 m -95.32 151.03 19.61 Favored 'General case' 0 N--CA 1.469 0.509 0 C-N-CA 123.878 0.871 . . . . 0.0 112.166 175.844 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 13' ' ' LEU . . . . . 0.588 ' H ' HD23 ' A' ' 13' ' ' LEU . 1.5 pt? -56.22 -43.04 78.17 Favored 'General case' 0 N--CA 1.462 0.156 0 C-N-CA 124.203 1.001 . . . . 0.0 111.754 -176.727 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 18.1 p90 -65.96 -15.1 62.69 Favored 'General case' 0 CA--C 1.538 0.482 0 N-CA-C 114.785 1.402 . . . . 0.0 114.785 -176.01 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 3.7 pt20 -112.17 -30.22 7.3 Favored 'General case' 0 N--CA 1.468 0.446 0 C-N-CA 123.741 0.816 . . . . 0.0 110.501 -178.953 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 16' ' ' LEU . . . . . 0.507 HD11 HG21 ' B' ' 18' ' ' VAL . 0.1 OUTLIER -68.21 -36.49 79.62 Favored 'General case' 0 CA--C 1.55 0.971 0 C-N-CA 123.77 0.828 . . . . 0.0 110.79 171.285 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 12.2 mt-10 -49.07 -36.69 19.04 Favored 'General case' 0 N--CA 1.479 0.999 0 C-N-CA 126.569 1.948 . . . . 0.0 112.596 173.504 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 5.0 m-80 -64.83 -19.43 65.85 Favored 'General case' 0 CA--C 1.543 0.678 0 N-CA-C 112.946 0.721 . . . . 0.0 112.946 -176.341 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 93.5 m-85 -87.21 -2.5 58.67 Favored 'General case' 0 CA--C 1.546 0.795 0 C-N-CA 125.117 1.367 . . . . 0.0 113.506 177.129 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 17.2 t -73.13 -26.85 61.38 Favored 'General case' 0 CA--C 1.544 0.726 0 C-N-CA 123.567 0.747 . . . . 0.0 112.703 168.869 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--O 1.251 1.155 0 C-N-CA 125.571 1.548 . . . . 0.0 112.424 178.429 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 1' ' ' PHE . . . . . . . . . . . . . 75.1 t80 . . . . . 0 N--CA 1.485 1.32 0 CA-C-O 119.787 -0.149 . . . . 0.0 110.793 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' B' B ' 2' ' ' VAL . . . . . . . . . . . . . 94.8 t -129.81 120.91 51.17 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.0 0 C-N-CA 125.115 1.366 . . . . 0.0 108.502 172.345 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 3' ' ' ASN . . . . . . . . . . . . . 55.8 m-20 -60.17 117.05 4.67 Favored 'General case' 0 CA--C 1.535 0.404 0 C-N-CA 123.477 0.711 . . . . 0.0 110.287 171.727 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 4' ' ' GLN . . . . . . . . . . . . . 10.5 pt20 -158.7 -177.72 6.73 Favored 'General case' 0 CA--C 1.533 0.324 0 C-N-CA 123.957 0.903 . . . . 0.0 110.847 -174.949 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 5' ' ' HIS . . . . . . . . . . . . . 79.7 m80 -83.14 124.25 30.31 Favored 'General case' 0 CA--C 1.544 0.745 0 C-N-CA 124.004 0.922 . . . . 0.0 110.685 171.443 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 6' ' ' LEU . . . . . 0.511 HD13 ' HB2' ' B' ' 14' ' ' ALA . 77.6 mt -135.47 128.98 32.46 Favored 'General case' 0 N--CA 1.472 0.633 0 C-N-CA 125.275 1.43 . . . . 0.0 110.854 -173.106 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 7' ' ' CYS . . . . . . . . . . . . . 61.2 m -140.72 153.17 45.81 Favored 'General case' 0 N--CA 1.471 0.603 0 C-N-CA 125.903 1.681 . . . . 0.0 110.207 -176.372 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 8' ' ' GLY . . . . . . . . . . . . . . . 57.81 -131.54 52.1 Favored Glycine 0 N--CA 1.473 1.1 0 C-N-CA 123.745 0.688 . . . . 0.0 112.918 172.028 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 9' ' ' SER . . . . . . . . . . . . . 20.4 m -54.42 -42.52 70.6 Favored 'General case' 0 N--CA 1.472 0.642 0 C-N-CA 124.077 0.951 . . . . 0.0 112.376 176.986 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 10' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -57.75 -30.55 65.7 Favored 'General case' 0 N--CA 1.474 0.74 0 C-N-CA 123.931 0.892 . . . . 0.0 112.825 179.063 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 17.2 tp -79.5 -26.7 41.52 Favored 'General case' 0 CA--C 1.542 0.661 0 C-N-CA 124.678 1.191 . . . . 0.0 112.967 177.692 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 92.7 t -80.99 -34.01 13.47 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.199 0 C-N-CA 124.822 1.249 . . . . 0.0 109.813 176.158 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 2.4 mt-10 -52.5 -51.82 57.57 Favored 'General case' 0 N--CA 1.45 -0.455 0 C-N-CA 124.961 1.305 . . . . 0.0 110.584 158.998 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 14' ' ' ALA . . . . . 0.541 ' O ' HG22 ' B' ' 18' ' ' VAL . . . -53.63 -54.91 31.04 Favored 'General case' 0 CA--C 1.532 0.268 0 C-N-CA 123.581 0.752 . . . . 0.0 111.792 -178.974 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 4.1 mm? -55.86 -35.22 66.22 Favored 'General case' 0 N--CA 1.471 0.589 0 C-N-CA 123.462 0.705 . . . . 0.0 112.413 177.677 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 16' ' ' TYR . . . . . . . . . . . . . 84.9 t80 -65.55 -46.77 78.26 Favored 'General case' 0 CA--C 1.54 0.589 0 CA-C-N 119.272 0.942 . . . . 0.0 112.111 170.082 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 28.7 mt -64.34 -40.8 96.6 Favored 'General case' 0 N--CA 1.469 0.478 0 C-N-CA 124.028 0.931 . . . . 0.0 112.632 -175.389 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 18' ' ' VAL . . . . . 0.541 HG22 ' O ' ' B' ' 14' ' ' ALA . 0.0 OUTLIER -76.16 -51.14 20.66 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.037 0 C-N-CA 123.414 0.686 . . . . 0.0 112.789 172.942 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' B' B ' 19' ' ' CYS . . . . . . . . . . . . . 9.5 t -112.26 -33.6 6.17 Favored 'General case' 0 N--CA 1.475 0.782 0 N-CA-C 114.979 1.474 . . . . 0.0 114.979 -163.765 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . -84.73 -35.85 12.71 Favored Glycine 0 N--CA 1.477 1.399 0 O-C-N 121.418 -0.801 . . . . 0.0 113.719 -172.359 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 36.4 tt0 -65.03 -17.7 64.67 Favored 'General case' 0 CA--C 1.547 0.857 0 C-N-CA 126.433 1.893 . . . . 0.0 112.203 176.047 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 22' ' ' ARG . . . . . . . . . . . . . 13.8 mmp_? -68.11 -18.67 64.71 Favored 'General case' 0 CA--C 1.545 0.755 0 C-N-CA 124.875 1.27 . . . . 0.0 112.762 171.739 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . -82.22 179.77 53.1 Favored Glycine 0 CA--C 1.532 1.128 0 C-N-CA 125.82 1.676 . . . . 0.0 113.471 179.42 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 24' ' ' HIS . . . . . . . . . . . . . 27.3 p80 -75.95 -17.49 59.71 Favored 'General case' 0 CA--C 1.55 0.944 0 N-CA-C 115.325 1.602 . . . . 0.0 115.325 -173.41 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 25' ' ' PHE . . . . . . . . . . . . . 60.9 t80 -162.03 159.42 26.31 Favored 'General case' 0 CA--C 1.544 0.723 0 C-N-CA 124.861 1.264 . . . . 0.0 112.707 -172.239 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 26' ' ' TYR . . . . . . . . . . . . . 57.8 t80 -62.31 157.12 20.47 Favored 'General case' 0 CA--C 1.546 0.791 0 C-N-CA 126.264 1.826 . . . . 0.0 113.699 175.463 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 27' ' ' THR . . . . . . . . . . . . . 24.9 p -128.35 124.12 22.74 Favored Pre-proline 0 N--CA 1.474 0.775 0 C-N-CA 124.543 1.137 . . . . 0.0 109.61 166.683 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 28' ' ' PRO . . . . . . . . . . . . . 67.3 Cg_endo -79.88 151.06 21.35 Favored 'Trans proline' 0 C--N 1.349 0.575 0 C-N-CA 123.154 2.569 . . . . 0.0 111.063 179.742 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 13.9 mptt -109.18 154.58 22.16 Favored 'General case' 0 CA--C 1.546 0.789 0 C-N-CA 125.27 1.428 . . . . 0.0 111.871 -176.739 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 30' ' ' THR . . . . . . . . . . . . . 12.9 t . . . . . 0 C--O 1.254 1.329 0 C-N-CA 125.278 1.431 . . . . 0.0 112.773 178.039 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.484 1.873 0 N-CA-C 112.463 -0.255 . . . . 0.0 112.463 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 7.8 tp -57.86 -36.1 54.23 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.159 0 C-N-CA 125.546 1.538 . . . . 0.0 113.845 -172.89 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 93.5 t -62.6 -33.88 62.09 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.983 0 C-N-CA 123.691 0.796 . . . . 0.0 111.175 176.885 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 41.0 mt-10 -79.01 -8.56 59.04 Favored 'General case' 0 CA--C 1.542 0.661 0 C-N-CA 124.035 0.934 . . . . 0.0 112.589 177.0 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 29.6 mm100 -91.94 -50.62 5.62 Favored 'General case' 0 CA--C 1.535 0.372 0 O-C-N 121.532 -0.73 . . . . 0.0 110.813 168.04 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 98.9 m -99.78 -28.32 13.21 Favored 'General case' 0 N--CA 1.472 0.673 0 N-CA-C 116.381 1.993 . . . . 0.0 116.381 -166.264 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 49.7 t -83.85 -40.65 18.4 Favored 'General case' 0 N--CA 1.477 0.917 0 N-CA-C 113.934 1.087 . . . . 0.0 113.934 -177.994 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 6.6 t -74.79 -31.56 61.77 Favored 'General case' 0 N--CA 1.478 0.972 0 C-N-CA 124.554 1.141 . . . . 0.0 112.941 -177.89 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 74.7 m -156.19 172.65 18.08 Favored 'General case' 0 N--CA 1.469 0.485 0 C-N-CA 128.019 2.528 . . . . 0.0 109.15 -173.611 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 31.4 mt -75.85 125.63 35.72 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.455 0 O-C-N 121.198 -0.939 . . . . 0.0 111.121 -179.691 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 28.9 p -98.11 169.8 9.36 Favored 'General case' 0 CA--C 1.537 0.467 0 C-N-CA 124.587 1.155 . . . . 0.0 112.164 171.813 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 72.3 m -127.66 151.95 48.31 Favored 'General case' 0 C--O 1.236 0.358 0 C-N-CA 124.586 1.154 . . . . 0.0 111.68 -178.598 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 13' ' ' LEU . . . . . 0.558 ' H ' HD23 ' A' ' 13' ' ' LEU . 1.4 pt? -53.92 -42.73 69.09 Favored 'General case' 0 N--CA 1.463 0.196 0 C-N-CA 124.57 1.148 . . . . 0.0 111.915 -172.733 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 21.4 p90 -65.97 -14.47 61.65 Favored 'General case' 0 CA--C 1.537 0.45 0 N-CA-C 114.769 1.396 . . . . 0.0 114.769 -175.017 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 6.8 pt20 -117.27 -30.83 5.49 Favored 'General case' 0 N--CA 1.466 0.328 0 C-N-CA 123.365 0.666 . . . . 0.0 110.978 -178.986 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 16' ' ' LEU . . . . . 0.445 HD11 HG21 ' B' ' 18' ' ' VAL . 0.2 OUTLIER -69.75 -34.95 74.51 Favored 'General case' 0 CA--C 1.549 0.915 0 C-N-CA 123.687 0.795 . . . . 0.0 111.07 176.826 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 15.2 mt-10 -48.78 -36.86 17.53 Favored 'General case' 0 N--CA 1.48 1.032 0 C-N-CA 126.048 1.739 . . . . 0.0 112.222 170.289 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 1.7 t-20 -58.73 -27.98 65.41 Favored 'General case' 0 CA--C 1.542 0.656 0 C-N-CA 124.387 1.075 . . . . 0.0 113.072 -176.312 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 88.9 m-85 -85.07 -3.37 58.77 Favored 'General case' 0 CA--C 1.543 0.707 0 C-N-CA 125.798 1.639 . . . . 0.0 113.608 -179.48 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 14.8 t -72.84 -26.83 61.61 Favored 'General case' 0 CA--C 1.545 0.779 0 C-N-CA 123.622 0.769 . . . . 0.0 112.755 171.455 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 24.5 t-20 . . . . . 0 C--O 1.253 1.247 0 C-N-CA 125.643 1.577 . . . . 0.0 113.017 178.503 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' B' B ' 1' ' ' PHE . . . . . . . . . . . . . 67.1 t80 . . . . . 0 N--CA 1.487 1.415 0 CA-C-O 119.561 -0.257 . . . . 0.0 110.832 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' B' B ' 2' ' ' VAL . . . . . . . . . . . . . 71.7 t -125.14 118.89 54.21 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.929 0 C-N-CA 124.907 1.283 . . . . 0.0 108.647 173.211 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 3' ' ' ASN . . . . . . . . . . . . . 9.4 m120 -70.18 105.11 2.82 Favored 'General case' 0 CA--C 1.542 0.664 0 C-N-CA 123.624 0.77 . . . . 0.0 110.188 173.149 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 4' ' ' GLN . . . . . . . . . . . . . 28.4 pt20 -160.79 -177.81 6.41 Favored 'General case' 0 CA--C 1.538 0.5 0 C-N-CA 125.985 1.714 . . . . 0.0 110.406 -179.189 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 5' ' ' HIS . . . . . . . . . . . . . 69.6 m-70 -84.46 124.8 31.75 Favored 'General case' 0 CA--C 1.544 0.718 0 C-N-CA 124.033 0.933 . . . . 0.0 110.853 179.476 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 6' ' ' LEU . . . . . 0.482 HD13 ' HB2' ' B' ' 14' ' ' ALA . 72.5 mt -136.99 134.35 36.55 Favored 'General case' 0 N--CA 1.473 0.707 0 C-N-CA 125.739 1.616 . . . . 0.0 109.645 -173.596 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 7' ' ' CYS . . . . . . . . . . . . . 3.0 t -140.16 -50.66 0.48 Allowed 'General case' 0 N--CA 1.48 1.039 0 N-CA-C 116.55 2.056 . . . . 0.0 116.55 -167.626 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 8' ' ' GLY . . . . . . . . . . . . . . . -103.42 -123.59 5.3 Favored Glycine 0 CA--C 1.526 0.747 0 C-N-CA 124.045 0.831 . . . . 0.0 111.791 -173.595 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 9' ' ' SER . . . . . . . . . . . . . 21.5 t -52.5 -39.01 60.79 Favored 'General case' 0 N--CA 1.476 0.855 0 CA-C-N 117.758 0.779 . . . . 0.0 111.345 169.562 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 10' ' ' HIS . . . . . . . . . . . . . 9.3 m-70 -50.22 -31.97 15.29 Favored 'General case' 0 CA--C 1.545 0.774 0 C-N-CA 125.228 1.411 . . . . 0.0 114.728 173.358 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 18.1 tp -83.97 -24.18 30.74 Favored 'General case' 0 CA--C 1.541 0.615 0 C-N-CA 124.498 1.119 . . . . 0.0 113.007 178.479 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 98.6 t -80.86 -35.97 15.06 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.034 0 C-N-CA 125.018 1.327 . . . . 0.0 109.405 175.066 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 2.4 mm-40 -52.78 -49.55 65.35 Favored 'General case' 0 N--CA 1.45 -0.464 0 C-N-CA 125.766 1.627 . . . . 0.0 110.61 159.707 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 14' ' ' ALA . . . . . 0.503 ' O ' HG22 ' B' ' 18' ' ' VAL . . . -52.55 -56.57 14.32 Favored 'General case' 0 CA--C 1.534 0.338 0 CA-C-N 119.353 0.979 . . . . 0.0 111.075 178.591 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 4.0 mm? -55.12 -35.08 64.3 Favored 'General case' 0 N--CA 1.471 0.578 0 C-N-CA 123.619 0.767 . . . . 0.0 112.971 177.946 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 16' ' ' TYR . . . . . . . . . . . . . 88.5 t80 -66.9 -45.57 77.58 Favored 'General case' 0 CA--C 1.541 0.603 0 CA-C-N 119.699 1.136 . . . . 0.0 112.606 171.632 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 41.4 mt -66.11 -36.47 83.24 Favored 'General case' 0 N--CA 1.469 0.502 0 C-N-CA 124.962 1.305 . . . . 0.0 112.569 -176.316 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 18' ' ' VAL . . . . . 0.503 HG22 ' O ' ' B' ' 14' ' ' ALA . 0.0 OUTLIER -82.22 -63.29 1.21 Allowed 'Isoleucine or valine' 0 N--CA 1.478 0.957 0 C-N-CA 123.408 0.683 . . . . 0.0 112.4 170.829 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' B' B ' 19' ' ' CYS . . . . . . . . . . . . . 10.9 t -88.57 -24.83 22.76 Favored 'General case' 0 N--CA 1.471 0.592 0 N-CA-C 113.979 1.103 . . . . 0.0 113.979 -161.835 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . -89.57 -55.18 2.09 Favored Glycine 0 N--CA 1.47 0.917 0 C-N-CA 124.441 1.019 . . . . 0.0 111.866 178.508 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 6.4 mm-40 -69.79 -18.05 63.45 Favored 'General case' 0 CA--C 1.542 0.657 0 C-N-CA 125.145 1.378 . . . . 0.0 114.189 -173.514 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 22' ' ' ARG . . . . . . . . . . . . . 41.6 ptt180 -61.56 -36.29 80.2 Favored 'General case' 0 N--CA 1.474 0.729 0 O-C-N 121.289 -0.882 . . . . 0.0 112.267 171.369 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . 70.3 -178.42 30.83 Favored Glycine 0 CA--C 1.532 1.142 0 C-N-CA 125.815 1.674 . . . . 0.0 114.368 177.164 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 24' ' ' HIS . . . . . . . . . . . . . 29.3 m170 -78.56 143.35 36.58 Favored 'General case' 0 CA--C 1.545 0.761 0 C-N-CA 123.567 0.747 . . . . 0.0 110.729 165.244 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 25' ' ' PHE . . . . . . . . . . . . . 12.6 m-85 65.22 -174.78 0.18 Allowed 'General case' 0 N--CA 1.478 0.928 0 C-N-CA 125.224 1.409 . . . . 0.0 111.166 -173.451 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 26' ' ' TYR . . . . . . . . . . . . . 38.1 t80 -78.84 140.32 38.2 Favored 'General case' 0 CA--C 1.538 0.491 0 O-C-N 121.694 -0.629 . . . . 0.0 110.62 147.513 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 27' ' ' THR . . . . . . . . . . . . . 19.8 p -133.73 112.94 12.75 Favored Pre-proline 0 N--CA 1.471 0.617 0 C-N-CA 125.613 1.565 . . . . 0.0 107.889 173.719 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 28' ' ' PRO . . . . . . . . . . . . . 89.8 Cg_exo -58.23 136.98 78.16 Favored 'Trans proline' 0 C--N 1.351 0.706 0 C-N-CA 123.426 2.75 . . . . 0.0 114.102 -177.421 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 25.9 pttt -173.34 162.04 4.28 Favored 'General case' 0 CA--C 1.546 0.797 0 C-N-CA 127.118 2.167 . . . . 0.0 112.766 -168.473 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 30' ' ' THR . . . . . . . . . . . . . 32.8 m . . . . . 0 C--O 1.253 1.24 0 C-N-CA 125.994 1.717 . . . . 0.0 110.962 -175.837 . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.657 0 CA-C-O 121.054 0.252 . . . . 0.0 112.479 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 8.3 tp -60.3 -36.62 69.94 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.159 0 C-N-CA 125.314 1.446 . . . . 0.0 113.809 -171.874 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 77.2 t -62.57 -34.66 66.24 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.047 0 C-N-CA 123.908 0.883 . . . . 0.0 110.874 177.33 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 42.2 mt-10 -77.66 -1.03 28.96 Favored 'General case' 0 CA--C 1.544 0.746 0 C-N-CA 124.66 1.184 . . . . 0.0 112.592 176.66 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 13.7 mm-40 -109.22 -43.74 4.09 Favored 'General case' 0 CA--C 1.534 0.331 0 O-C-N 121.058 -1.027 . . . . 0.0 112.462 170.235 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 92.5 m -103.6 -26.2 12.89 Favored 'General case' 0 N--CA 1.473 0.707 0 N-CA-C 115.787 1.773 . . . . 0.0 115.787 -169.56 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 43.4 t -86.69 -32.25 20.59 Favored 'General case' 0 N--CA 1.479 0.979 0 N-CA-C 113.476 0.917 . . . . 0.0 113.476 179.275 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 6.0 t -74.86 -33.03 62.04 Favored 'General case' 0 N--CA 1.476 0.869 0 C-N-CA 124.824 1.25 . . . . 0.0 112.842 178.501 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 85.4 p -168.27 178.59 4.87 Favored 'General case' 0 CA--C 1.538 0.482 0 C-N-CA 127.048 2.139 . . . . 0.0 110.379 -172.737 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 12.0 mt -76.37 125.94 36.58 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.455 0 O-C-N 121.055 -1.028 . . . . 0.0 111.965 -173.733 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 29.8 p -104.89 152.73 22.29 Favored 'General case' 0 CA--C 1.538 0.502 0 C-N-CA 125.205 1.402 . . . . 0.0 111.522 171.678 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 50.9 m -96.04 151.38 19.5 Favored 'General case' 0 N--CA 1.472 0.648 0 C-N-CA 123.704 0.801 . . . . 0.0 112.277 175.69 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 13' ' ' LEU . . . . . 0.564 ' H ' HD23 ' A' ' 13' ' ' LEU . 1.7 pt? -57.08 -41.33 78.65 Favored 'General case' 0 N--CA 1.465 0.321 0 C-N-CA 123.749 0.82 . . . . 0.0 111.874 -176.841 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 15.1 p90 -67.28 -11.32 57.22 Favored 'General case' 0 CA--C 1.536 0.424 0 N-CA-C 114.893 1.442 . . . . 0.0 114.893 -176.291 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 3.8 pt20 -117.0 -31.95 5.22 Favored 'General case' 0 N--CA 1.464 0.249 0 C-N-CA 123.94 0.896 . . . . 0.0 110.555 179.473 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 16' ' ' LEU . . . . . 0.534 HD11 HG21 ' B' ' 18' ' ' VAL . 0.2 OUTLIER -65.92 -34.0 77.11 Favored 'General case' 0 CA--C 1.548 0.87 0 CA-C-N 119.472 1.033 . . . . 0.0 110.93 173.37 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 13.6 mt-10 -46.4 -36.63 6.67 Favored 'General case' 0 N--CA 1.477 0.891 0 C-N-CA 126.271 1.828 . . . . 0.0 112.705 171.138 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 91.9 m-20 -62.75 -25.4 68.18 Favored 'General case' 0 CA--C 1.541 0.623 0 C-N-CA 124.365 1.066 . . . . 0.0 112.814 -174.951 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 83.4 m-85 -86.52 -3.56 59.04 Favored 'General case' 0 CA--C 1.542 0.673 0 C-N-CA 125.905 1.682 . . . . 0.0 113.369 -177.543 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 22.8 t -72.01 -27.17 62.55 Favored 'General case' 0 CA--C 1.545 0.765 0 C-N-CA 123.686 0.794 . . . . 0.0 112.698 169.318 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--O 1.252 1.218 0 C-N-CA 125.551 1.541 . . . . 0.0 112.435 178.617 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 1' ' ' PHE . . . . . . . . . . . . . 49.1 t80 . . . . . 0 N--CA 1.486 1.361 0 CA-C-O 119.586 -0.245 . . . . 0.0 110.633 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' B' B ' 2' ' ' VAL . . . . . . . . . . . . . 21.8 m -131.62 134.06 60.9 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.96 0 C-N-CA 124.244 1.018 . . . . 0.0 109.575 164.451 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 3' ' ' ASN . . . . . . . . . . . . . 73.1 m-20 -64.28 125.3 24.13 Favored 'General case' 0 CA--C 1.538 0.505 0 N-CA-C 109.424 -0.584 . . . . 0.0 109.424 169.439 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 4' ' ' GLN . . . . . . . . . . . . . 24.6 pt20 -161.31 -179.25 7.26 Favored 'General case' 0 CA--C 1.535 0.39 0 C-N-CA 125.036 1.334 . . . . 0.0 110.247 -170.36 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 5' ' ' HIS . . . . . . . . . . . . . 83.5 m-70 -85.1 129.88 34.72 Favored 'General case' 0 CA--C 1.541 0.632 0 C-N-CA 123.821 0.849 . . . . 0.0 110.697 172.864 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 75.6 mt -138.62 130.94 28.63 Favored 'General case' 0 N--CA 1.47 0.564 0 C-N-CA 124.577 1.151 . . . . 0.0 111.188 -171.428 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 7' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -153.46 146.76 24.78 Favored 'General case' 0 N--CA 1.468 0.46 0 C-N-CA 123.588 0.755 . . . . 0.0 111.231 179.517 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 8' ' ' GLY . . . . . . . . . . . . . . . 57.37 -124.45 35.96 Favored Glycine 0 CA--C 1.532 1.102 0 C-N-CA 124.056 0.836 . . . . 0.0 112.704 179.233 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 9' ' ' SER . . . . . . . . . . . . . 8.8 t -55.84 -38.93 70.72 Favored 'General case' 0 N--CA 1.472 0.648 0 C-N-CA 123.899 0.88 . . . . 0.0 112.621 178.57 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 10' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -63.03 -35.22 79.49 Favored 'General case' 0 N--CA 1.473 0.692 0 O-C-N 120.763 -1.21 . . . . 0.0 112.483 175.991 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 15.6 tp -74.19 -41.0 62.13 Favored 'General case' 0 CA--C 1.538 0.487 0 C-N-CA 124.042 0.937 . . . . 0.0 111.159 178.41 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 95.0 t -60.11 -41.82 87.85 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.166 0 C-N-CA 124.025 0.93 . . . . 0.0 111.345 170.215 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 22.2 mt-10 -58.94 -49.61 77.19 Favored 'General case' 0 CA--C 1.533 0.299 0 C-N-CA 123.252 0.621 . . . . 0.0 111.511 171.698 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 14' ' ' ALA . . . . . 0.554 ' O ' HG22 ' B' ' 18' ' ' VAL . . . -58.39 -46.76 85.74 Favored 'General case' 0 CA--C 1.534 0.333 0 CA-C-N 119.822 1.192 . . . . 0.0 112.527 178.051 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 3.9 mm? -56.43 -34.48 66.84 Favored 'General case' 0 N--CA 1.471 0.613 0 C-N-CA 123.598 0.759 . . . . 0.0 112.142 175.827 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 16' ' ' TYR . . . . . . . . . . . . . 79.0 t80 -65.27 -46.01 82.21 Favored 'General case' 0 CA--C 1.539 0.544 0 O-C-N 121.309 -0.87 . . . . 0.0 112.162 169.373 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 82.1 mt -62.93 -45.76 90.97 Favored 'General case' 0 N--CA 1.471 0.575 0 CA-C-N 119.237 0.926 . . . . 0.0 112.574 -179.259 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 18' ' ' VAL . . . . . 0.554 HG22 ' O ' ' B' ' 14' ' ' ALA . 0.0 OUTLIER -73.33 -44.71 54.45 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.952 0 N-CA-C 112.815 0.672 . . . . 0.0 112.815 178.028 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' B' B ' 19' ' ' CYS . . . . . . . . . . . . . 11.3 t -122.43 -26.85 4.53 Favored 'General case' 0 N--CA 1.477 0.882 0 N-CA-C 115.567 1.691 . . . . 0.0 115.567 -165.125 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . -83.0 -45.36 6.69 Favored Glycine 0 N--CA 1.475 1.263 0 O-C-N 121.342 -0.849 . . . . 0.0 113.19 -176.632 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 36.2 tt0 -62.14 -37.29 84.63 Favored 'General case' 0 CA--C 1.54 0.591 0 C-N-CA 124.563 1.145 . . . . 0.0 112.184 -176.066 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 22' ' ' ARG . . . . . . . . . . . . . 4.1 ptp180 -64.5 -21.31 66.64 Favored 'General case' 0 N--CA 1.474 0.774 0 N-CA-C 113.877 1.066 . . . . 0.0 113.877 174.937 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . -88.69 -34.67 8.98 Favored Glycine 0 N--CA 1.472 1.061 0 C-N-CA 125.191 1.376 . . . . 0.0 112.748 173.949 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 24' ' ' HIS . . . . . . . . . . . . . 9.3 m-70 -73.76 -29.16 62.06 Favored 'General case' 0 CA--C 1.549 0.925 0 C-N-CA 124.654 1.182 . . . . 0.0 113.211 175.836 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 25' ' ' PHE . . . . . . . . . . . . . 77.3 t80 -63.51 146.44 53.64 Favored 'General case' 0 CA--C 1.542 0.64 0 C-N-CA 125.319 1.448 . . . . 0.0 112.495 176.966 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 26' ' ' TYR . . . . . . . . . . . . . 65.7 t80 -147.82 153.46 39.19 Favored 'General case' 0 CA--C 1.543 0.692 0 C-N-CA 126.023 1.729 . . . . 0.0 111.71 -178.674 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 27' ' ' THR . . . . . . . . . . . . . 21.2 p -120.48 99.06 48.11 Favored Pre-proline 0 N--CA 1.475 0.808 0 C-N-CA 125.95 1.7 . . . . 0.0 110.218 178.162 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 28' ' ' PRO . . . . . . . . . . . . . 72.3 Cg_exo -59.89 163.94 12.87 Favored 'Trans proline' 0 C--N 1.35 0.652 0 C-N-CA 124.145 3.23 . . . . 0.0 114.248 174.902 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 20.1 tptm -82.66 6.81 16.61 Favored 'General case' 0 CA--C 1.551 0.99 0 C-N-CA 124.958 1.303 . . . . 0.0 114.014 -179.968 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 30' ' ' THR . . . . . . . . . . . . . 25.0 m . . . . . 0 C--O 1.252 1.226 0 C-N-CA 127.661 2.384 . . . . 0.0 112.581 -178.203 . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.483 1.807 0 N-CA-C 112.034 -0.426 . . . . 0.0 112.034 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 6.4 tp -58.3 -33.98 48.89 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.275 0 C-N-CA 125.634 1.573 . . . . 0.0 114.103 -171.995 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 92.7 t -62.69 -34.76 67.2 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.963 0 O-C-N 121.469 -0.769 . . . . 0.0 111.083 176.82 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 33.8 mm-40 -79.58 0.24 30.78 Favored 'General case' 0 CA--C 1.545 0.766 0 C-N-CA 123.855 0.862 . . . . 0.0 112.953 176.347 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 7.1 tp-100 -100.73 -55.17 2.65 Favored 'General case' 0 CA--C 1.538 0.509 0 C-N-CA 124.479 1.111 . . . . 0.0 109.89 168.289 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 58.6 m -92.46 -32.01 15.06 Favored 'General case' 0 N--CA 1.469 0.503 0 N-CA-C 115.86 1.8 . . . . 0.0 115.86 -168.435 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 17.8 t -76.46 -29.61 57.0 Favored 'General case' 0 N--CA 1.477 0.908 0 CA-C-N 119.472 1.033 . . . . 0.0 113.104 -179.137 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 7.3 t -87.22 -30.3 21.07 Favored 'General case' 0 N--CA 1.475 0.816 0 C-N-CA 125.151 1.38 . . . . 0.0 113.498 -177.331 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 72.1 m -150.37 170.31 19.34 Favored 'General case' 0 N--CA 1.473 0.697 0 C-N-CA 125.067 1.347 . . . . 0.0 112.057 -170.853 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 25.7 mm -55.96 129.05 17.05 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.836 0 O-C-N 121.332 -0.855 . . . . 0.0 109.762 169.138 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 15.9 p -124.25 152.51 42.9 Favored 'General case' 0 CA--C 1.536 0.436 0 CA-C-O 121.702 0.763 . . . . 0.0 112.316 168.099 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 26.4 m -116.81 153.14 32.98 Favored 'General case' 0 N--CA 1.47 0.548 0 C-N-CA 124.694 1.198 . . . . 0.0 112.2 -175.976 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 13' ' ' LEU . . . . . 0.508 ' H ' HD23 ' A' ' 13' ' ' LEU . 1.9 pt? -57.65 -40.88 80.32 Favored 'General case' 0 CA--C 1.53 0.193 0 O-C-N 121.449 -0.782 . . . . 0.0 111.898 -173.276 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 21.0 p90 -68.2 -12.86 61.68 Favored 'General case' 0 CA--C 1.536 0.435 0 C-N-CA 125.092 1.357 . . . . 0.0 114.35 -174.234 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 3.9 pt20 -116.77 -24.63 7.62 Favored 'General case' 0 C--O 1.222 -0.344 0 C-N-CA 124.445 1.098 . . . . 0.0 111.175 178.949 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 16' ' ' LEU . . . . . 0.463 HD11 HG21 ' B' ' 18' ' ' VAL . 0.2 OUTLIER -77.48 -26.8 51.63 Favored 'General case' 0 CA--C 1.547 0.863 0 CA-C-N 119.439 1.018 . . . . 0.0 111.613 174.473 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 22.0 mt-10 -52.76 -28.43 22.25 Favored 'General case' 0 N--CA 1.48 1.044 0 C-N-CA 124.493 1.117 . . . . 0.0 112.361 166.886 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 76.6 m-20 -61.7 -27.06 68.44 Favored 'General case' 0 CA--C 1.541 0.626 0 C-N-CA 123.215 0.606 . . . . 0.0 112.168 -177.166 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 67.8 m-85 -85.98 1.68 49.21 Favored 'General case' 0 CA--C 1.548 0.866 0 C-N-CA 126.625 1.97 . . . . 0.0 112.91 -179.674 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 18.8 t -68.97 -24.61 64.26 Favored 'General case' 0 CA--C 1.546 0.791 0 C-N-CA 125.366 1.466 . . . . 0.0 112.955 169.317 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 68.3 m-80 . . . . . 0 C--O 1.252 1.202 0 C-N-CA 125.744 1.618 . . . . 0.0 112.822 178.061 . . . . . . . . 0 0 . 1 . 006 nuclear build full ' B' B ' 1' ' ' PHE . . . . . . . . . . . . . 42.1 t80 . . . . . 0 N--CA 1.487 1.382 0 CA-C-O 119.775 -0.155 . . . . 0.0 110.61 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' B' B ' 2' ' ' VAL . . . . . . . . . . . . . 89.8 t -130.14 124.23 57.68 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.043 0 C-N-CA 124.958 1.303 . . . . 0.0 108.459 171.306 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 3' ' ' ASN . . . . . . . . . . . . . 70.9 m-20 -69.33 118.29 12.03 Favored 'General case' 0 CA--C 1.535 0.399 0 C-N-CA 123.352 0.661 . . . . 0.0 109.522 175.995 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 4' ' ' GLN . . . . . . . . . . . . . 14.4 pt20 -159.89 178.82 9.36 Favored 'General case' 0 CA--C 1.535 0.371 0 C-N-CA 123.31 0.644 . . . . 0.0 111.658 -165.861 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 5' ' ' HIS . . . . . . . . . . . . . 66.6 m-70 -80.06 125.98 30.47 Favored 'General case' 0 CA--C 1.544 0.742 0 C-N-CA 123.822 0.849 . . . . 0.0 109.811 167.141 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 96.0 mt -128.28 132.26 48.71 Favored 'General case' 0 N--CA 1.471 0.588 0 C-N-CA 124.595 1.158 . . . . 0.0 110.561 -178.505 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 7' ' ' CYS . . . . . . . . . . . . . 2.4 t -160.87 154.17 21.73 Favored 'General case' 0 N--CA 1.468 0.464 0 C-N-CA 124.237 1.015 . . . . 0.0 111.428 -177.263 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 8' ' ' GLY . . . . . . . . . . . . . . . 62.88 -137.83 44.14 Favored Glycine 0 CA--C 1.528 0.892 0 N-CA-C 111.22 -0.752 . . . . 0.0 111.22 -174.156 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 9' ' ' SER . . . . . . . . . . . . . 22.2 m -54.41 -40.95 68.76 Favored 'General case' 0 N--CA 1.472 0.626 0 C-N-CA 124.143 0.977 . . . . 0.0 112.763 177.946 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 10' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -55.23 -37.43 67.15 Favored 'General case' 0 N--CA 1.474 0.736 0 C-N-CA 124.23 1.012 . . . . 0.0 113.039 -178.168 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 18.6 tp -70.47 -33.08 70.85 Favored 'General case' 0 CA--C 1.537 0.451 0 C-N-CA 124.612 1.165 . . . . 0.0 112.209 176.863 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 87.3 t -80.67 -35.82 15.25 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.831 0 C-N-CA 124.355 1.062 . . . . 0.0 109.398 -176.782 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 2.4 mt-10 -53.29 -54.69 32.63 Favored 'General case' 0 N--CA 1.451 -0.394 0 C-N-CA 125.617 1.567 . . . . 0.0 110.576 163.553 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -58.26 -50.43 73.59 Favored 'General case' 0 N--CA 1.454 -0.268 0 CA-C-O 118.503 -0.76 . . . . 0.0 111.642 -179.793 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 4.1 mm? -58.04 -36.82 73.28 Favored 'General case' 0 N--CA 1.466 0.374 0 CA-C-N 119.442 1.019 . . . . 0.0 111.97 176.807 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 16' ' ' TYR . . . . . . . . . . . . . 86.9 t80 -62.28 -41.08 98.18 Favored 'General case' 0 N--CA 1.469 0.521 0 CA-C-N 120.636 1.562 . . . . 0.0 112.304 170.804 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 19.3 mt -71.17 -41.0 70.92 Favored 'General case' 0 CA--C 1.54 0.576 0 C-N-CA 124.184 0.993 . . . . 0.0 112.766 -176.788 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 18' ' ' VAL . . . . . 0.463 HG21 HD11 ' A' ' 16' ' ' LEU . 0.0 OUTLIER -91.16 -39.75 11.99 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.473 0 N-CA-C 113.323 0.86 . . . . 0.0 113.323 -179.491 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' B' B ' 19' ' ' CYS . . . . . . . . . . . . . 41.8 t -101.1 -44.79 5.59 Favored 'General case' 0 N--CA 1.472 0.663 0 C-N-CA 123.872 0.869 . . . . 0.0 112.3 -175.919 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . -73.55 -32.17 59.92 Favored Glycine 0 N--CA 1.474 1.226 0 CA-C-N 118.625 0.648 . . . . 0.0 113.479 -172.517 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 30.8 tt0 -68.07 -23.0 64.9 Favored 'General case' 0 CA--C 1.544 0.743 0 C-N-CA 124.708 1.203 . . . . 0.0 112.368 174.045 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 22' ' ' ARG . . . . . . . . . . . . . 76.5 mtp180 -93.15 -49.69 5.87 Favored 'General case' 0 N--CA 1.471 0.599 0 C-N-CA 124.884 1.274 . . . . 0.0 112.414 176.174 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . -100.33 97.42 1.73 Allowed Glycine 0 N--CA 1.47 0.946 0 C-N-CA 125.635 1.588 . . . . 0.0 111.627 -178.166 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 24' ' ' HIS . . . . . . . . . . . . . 17.1 m170 -80.71 -16.83 52.9 Favored 'General case' 0 CA--C 1.548 0.892 0 N-CA-C 114.296 1.221 . . . . 0.0 114.296 -172.666 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 25' ' ' PHE . . . . . . . . . . . . . 72.0 t80 -163.13 155.24 18.11 Favored 'General case' 0 CA--C 1.54 0.569 0 C-N-CA 126.532 1.933 . . . . 0.0 110.981 -176.661 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 26' ' ' TYR . . . . . . . . . . . . . 71.1 t80 -143.72 148.44 35.69 Favored 'General case' 0 CA--C 1.541 0.62 0 C-N-CA 125.578 1.551 . . . . 0.0 112.085 -179.635 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 27' ' ' THR . . . . . . . . . . . . . 26.1 p -117.46 112.41 39.26 Favored Pre-proline 0 N--CA 1.474 0.752 0 C-N-CA 125.873 1.669 . . . . 0.0 109.677 176.831 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 28' ' ' PRO . . . . . . . . . . . . . 93.3 Cg_endo -79.14 154.58 25.36 Favored 'Trans proline' 0 C--N 1.35 0.611 0 C-N-CA 123.084 2.523 . . . . 0.0 111.52 179.844 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 26.4 ttpt 67.23 12.3 8.86 Favored 'General case' 0 CA--C 1.552 1.053 0 C-N-CA 126.202 1.801 . . . . 0.0 114.794 175.206 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 30' ' ' THR . . . . . . . . . . . . . 89.6 m . . . . . 0 C--O 1.253 1.281 0 C-N-CA 126.413 1.885 . . . . 0.0 111.444 174.982 . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.482 1.754 0 N-CA-C 112.326 -0.31 . . . . 0.0 112.326 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 6.8 tp -56.49 -38.61 57.17 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.244 0 C-N-CA 125.62 1.568 . . . . 0.0 113.781 -171.898 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 87.2 t -62.23 -32.52 55.04 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.904 0 C-N-CA 123.757 0.823 . . . . 0.0 111.101 178.519 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 36.9 mt-10 -81.58 -1.32 45.96 Favored 'General case' 0 CA--C 1.546 0.806 0 C-N-CA 124.17 0.988 . . . . 0.0 112.752 177.549 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 40.1 tp60 -104.26 -43.79 5.13 Favored 'General case' 0 CA--C 1.537 0.463 0 C-N-CA 124.236 1.014 . . . . 0.0 111.016 170.552 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 69.2 m -100.31 -34.82 9.83 Favored 'General case' 0 N--CA 1.472 0.649 0 N-CA-C 115.893 1.812 . . . . 0.0 115.893 -172.193 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 14.7 t -77.48 -26.27 51.18 Favored 'General case' 0 N--CA 1.48 1.038 0 O-C-N 120.849 -1.157 . . . . 0.0 113.37 -177.703 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 4.8 t -95.92 -19.28 19.66 Favored 'General case' 0 N--CA 1.475 0.804 0 C-N-CA 125.764 1.626 . . . . 0.0 113.716 -178.276 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 22.0 p -158.92 166.3 32.15 Favored 'General case' 0 N--CA 1.473 0.704 0 C-N-CA 124.818 1.247 . . . . 0.0 112.702 -169.958 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 23.6 mm -62.02 121.21 9.93 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.798 0 O-C-N 121.23 -0.919 . . . . 0.0 108.981 170.668 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 29.0 p -108.51 146.75 32.73 Favored 'General case' 0 N--CA 1.468 0.433 0 C-N-CA 123.302 0.641 . . . . 0.0 111.814 171.195 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 50.0 m -96.03 151.24 19.63 Favored 'General case' 0 N--CA 1.471 0.607 0 CA-C-O 121.483 0.658 . . . . 0.0 112.32 177.562 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 13' ' ' LEU . . . . . 0.524 ' H ' HD23 ' A' ' 13' ' ' LEU . 1.7 pt? -59.46 -39.1 82.58 Favored 'General case' 0 N--CA 1.464 0.241 0 O-C-N 121.421 -0.799 . . . . 0.0 112.557 -173.479 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 26.5 p90 -70.64 -13.69 62.18 Favored 'General case' 0 CA--C 1.536 0.432 0 C-N-CA 124.914 1.286 . . . . 0.0 114.11 -174.907 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 3.6 pt20 -113.11 -33.45 6.01 Favored 'General case' 0 N--CA 1.465 0.304 0 C-N-CA 124.048 0.939 . . . . 0.0 110.811 -179.266 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -66.69 -35.86 81.13 Favored 'General case' 0 CA--C 1.538 0.505 0 CA-C-N 119.024 0.829 . . . . 0.0 111.068 177.964 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -76.31 -16.55 59.74 Favored 'General case' 0 CA--C 1.533 0.291 0 N-CA-C 113.022 0.749 . . . . 0.0 113.022 -179.371 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 1.1 t-20 -57.76 -29.88 65.16 Favored 'General case' 0 CA--C 1.544 0.744 0 C-N-CA 124.049 0.939 . . . . 0.0 112.406 171.038 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 95.4 m-85 -77.44 -5.8 51.15 Favored 'General case' 0 CA--C 1.545 0.764 0 C-N-CA 125.83 1.652 . . . . 0.0 113.713 177.35 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 12.4 t -69.89 -24.1 63.35 Favored 'General case' 0 CA--C 1.545 0.759 0 C-N-CA 124.156 0.982 . . . . 0.0 113.123 175.68 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 68.2 m-80 . . . . . 0 C--O 1.254 1.318 0 C-N-CA 125.766 1.626 . . . . 0.0 112.994 179.726 . . . . . . . . 0 0 . 1 . 007 nuclear build full ' B' B ' 1' ' ' PHE . . . . . . . . . . . . . 43.3 t80 . . . . . 0 N--CA 1.487 1.42 0 CA-C-O 119.576 -0.249 . . . . 0.0 110.729 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' B' B ' 2' ' ' VAL . . . . . . . . . . . . . 95.6 t -129.56 117.68 43.05 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.981 0 C-N-CA 124.843 1.257 . . . . 0.0 109.187 173.407 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 3' ' ' ASN . . . . . . . . . . . . . 71.7 m-20 -61.69 124.02 19.55 Favored 'General case' 0 C--O 1.235 0.331 0 C-N-CA 123.088 0.555 . . . . 0.0 110.243 168.53 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 4' ' ' GLN . . . . . . . . . . . . . 10.4 pt20 -160.45 -179.84 8.01 Favored 'General case' 0 CA--C 1.533 0.306 0 C-N-CA 123.78 0.832 . . . . 0.0 110.813 -171.323 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 5' ' ' HIS . . . . . . . . . . . . . 75.8 m80 -81.44 125.99 31.11 Favored 'General case' 0 CA--C 1.542 0.644 0 C-N-CA 123.741 0.816 . . . . 0.0 109.861 168.76 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 78.3 mt -133.97 135.53 43.56 Favored 'General case' 0 N--CA 1.471 0.606 0 C-N-CA 124.818 1.247 . . . . 0.0 110.677 -174.297 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 7' ' ' CYS . . . . . . . . . . . . . 1.7 t -156.94 146.8 20.8 Favored 'General case' 0 N--CA 1.468 0.465 0 C-N-CA 123.757 0.823 . . . . 0.0 111.331 -177.346 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 8' ' ' GLY . . . . . . . . . . . . . . . 58.76 -128.18 47.03 Favored Glycine 0 CA--C 1.531 1.052 0 C-N-CA 124.059 0.837 . . . . 0.0 112.578 -179.903 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 9' ' ' SER . . . . . . . . . . . . . 20.6 m -54.62 -39.29 67.78 Favored 'General case' 0 N--CA 1.471 0.609 0 C-N-CA 124.384 1.074 . . . . 0.0 112.692 178.297 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 10' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -62.62 -36.12 81.74 Favored 'General case' 0 CA--C 1.543 0.678 0 O-C-N 121.228 -0.92 . . . . 0.0 112.518 177.182 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 16.5 tp -72.0 -44.59 63.22 Favored 'General case' 0 CA--C 1.536 0.432 0 C-N-CA 124.563 1.145 . . . . 0.0 110.87 177.724 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 92.8 t -59.66 -43.19 90.71 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.013 0 C-N-CA 124.084 0.953 . . . . 0.0 111.229 173.141 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 24.7 mt-10 -59.17 -47.21 86.15 Favored 'General case' 0 CA--C 1.533 0.319 0 C-N-CA 123.897 0.879 . . . . 0.0 111.968 173.26 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -61.36 -45.5 94.14 Favored 'General case' 0 CA--C 1.534 0.33 0 CA-C-N 119.466 1.03 . . . . 0.0 112.435 178.333 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 3.6 mm? -57.66 -37.52 73.53 Favored 'General case' 0 N--CA 1.469 0.523 0 CA-C-N 118.783 0.719 . . . . 0.0 111.73 175.341 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 16' ' ' TYR . . . . . . . . . . . . . 71.6 t80 -62.47 -45.51 92.7 Favored 'General case' 0 CA--C 1.536 0.424 0 CA-C-N 119.125 0.875 . . . . 0.0 111.656 172.372 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 97.6 mt -62.97 -49.88 72.96 Favored 'General case' 0 CA--C 1.533 0.302 0 CA-C-O 118.746 -0.645 . . . . 0.0 111.908 178.719 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 18' ' ' VAL . . . . . . . . . . . . . 0.1 OUTLIER -80.73 -37.39 16.43 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.089 0 N-CA-C 113.607 0.965 . . . . 0.0 113.607 -174.859 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 19' ' ' CYS . . . . . . . . . . . . . 47.7 t -105.79 -36.43 7.03 Favored 'General case' 0 N--CA 1.471 0.619 0 N-CA-C 113.507 0.929 . . . . 0.0 113.507 -171.405 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . -81.66 -50.43 4.99 Favored Glycine 0 CA--C 1.531 1.081 0 C-N-CA 124.103 0.859 . . . . 0.0 112.787 -176.254 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 8.4 tp10 -77.66 -45.9 23.61 Favored 'General case' 0 CA--C 1.543 0.69 0 C-N-CA 124.794 1.237 . . . . 0.0 111.744 -178.819 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 22' ' ' ARG . . . . . . . . . . . . . 66.6 mtt180 42.95 48.85 5.17 Favored 'General case' 0 CA--C 1.548 0.882 0 C-N-CA 126.425 1.89 . . . . 0.0 114.203 -178.909 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . -96.82 -63.93 0.92 Allowed Glycine 0 N--CA 1.474 1.183 0 C-N-CA 125.346 1.451 . . . . 0.0 111.475 174.566 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 24' ' ' HIS . . . . . . . . . . . . . 15.3 p80 -68.17 -20.17 64.85 Favored 'General case' 0 CA--C 1.552 1.037 0 C-N-CA 125.018 1.327 . . . . 0.0 114.177 176.804 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 25' ' ' PHE . . . . . . . . . . . . . 67.1 t80 -135.68 148.46 48.92 Favored 'General case' 0 CA--C 1.537 0.468 0 C-N-CA 126.619 1.968 . . . . 0.0 110.152 179.264 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 26' ' ' TYR . . . . . . . . . . . . . 77.4 t80 -145.75 147.93 32.44 Favored 'General case' 0 CA--C 1.54 0.594 0 C-N-CA 124.813 1.245 . . . . 0.0 112.035 -179.471 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 27' ' ' THR . . . . . . . . . . . . . 14.0 p -100.25 113.11 65.25 Favored Pre-proline 0 N--CA 1.472 0.641 0 C-N-CA 125.585 1.554 . . . . 0.0 109.887 177.125 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 28' ' ' PRO . . . . . . . . . . . . . 75.0 Cg_endo -76.92 144.84 24.57 Favored 'Trans proline' 0 N--CA 1.457 -0.621 0 C-N-CA 122.484 2.123 . . . . 0.0 110.362 177.969 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 21.8 pttm -173.72 162.7 4.11 Favored 'General case' 0 CA--C 1.545 0.756 0 C-N-CA 126.348 1.859 . . . . 0.0 112.752 -164.642 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 30' ' ' THR . . . . . . . . . . . . . 13.1 t . . . . . 0 C--O 1.254 1.323 0 C-N-CA 125.178 1.391 . . . . 0.0 112.648 176.785 . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.636 0 N-CA-C 111.768 -0.533 . . . . 0.0 111.768 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 7.4 tp -52.02 -31.71 14.27 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.362 0 C-N-CA 125.883 1.673 . . . . 0.0 114.474 -172.172 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 70.7 t -57.3 -40.97 77.19 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.849 0 C-N-CA 124.235 1.014 . . . . 0.0 111.373 179.025 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 4.0 pt-20 -77.75 0.71 22.57 Favored 'General case' 0 N--CA 1.474 0.757 0 CA-C-N 119.189 0.904 . . . . 0.0 113.344 -179.824 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 15.7 tp60 -104.95 -52.64 2.81 Favored 'General case' 0 CA--C 1.537 0.477 0 C-N-CA 124.209 1.004 . . . . 0.0 110.998 167.711 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 1.5 t -98.88 -22.87 15.59 Favored 'General case' 0 N--CA 1.473 0.708 0 N-CA-C 115.58 1.696 . . . . 0.0 115.58 -166.682 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 14.6 t -73.92 -26.24 60.41 Favored 'General case' 0 N--CA 1.478 0.939 0 O-C-N 121.008 -1.058 . . . . 0.0 112.768 171.217 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 6.4 t -94.87 -34.11 12.56 Favored 'General case' 0 N--CA 1.473 0.686 0 C-N-CA 125.445 1.498 . . . . 0.0 113.181 -179.021 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 58.6 m -143.28 174.64 10.55 Favored 'General case' 0 CA--C 1.546 0.804 0 C-N-CA 125.231 1.412 . . . . 0.0 112.208 -173.618 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 22.8 mm -59.81 133.91 25.13 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.963 0 O-C-N 120.71 -1.244 . . . . 0.0 109.506 168.829 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 20.1 p -115.17 143.24 45.53 Favored 'General case' 0 N--CA 1.47 0.572 0 CA-C-O 121.697 0.76 . . . . 0.0 112.006 159.469 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 13.3 m -92.85 151.85 19.75 Favored 'General case' 0 N--CA 1.468 0.447 0 C-N-CA 124.133 0.973 . . . . 0.0 111.842 175.23 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 13' ' ' LEU . . . . . 0.578 ' H ' HD23 ' A' ' 13' ' ' LEU . 1.6 pt? -57.15 -42.33 80.83 Favored 'General case' 0 N--CA 1.465 0.277 0 O-C-N 121.407 -0.808 . . . . 0.0 111.815 -174.136 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 22.1 p90 -67.02 -14.25 62.72 Favored 'General case' 0 CA--C 1.537 0.458 0 N-CA-C 114.566 1.321 . . . . 0.0 114.566 -176.068 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 4.0 pt20 -114.39 -29.7 6.8 Favored 'General case' 0 N--CA 1.466 0.364 0 C-N-CA 123.747 0.819 . . . . 0.0 110.683 -179.558 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 16' ' ' LEU . . . . . 0.511 HD11 HG21 ' B' ' 18' ' ' VAL . 0.2 OUTLIER -68.32 -34.29 75.85 Favored 'General case' 0 CA--C 1.549 0.93 0 CA-C-N 119.336 0.971 . . . . 0.0 110.893 173.252 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 16.0 mt-10 -47.75 -38.96 16.55 Favored 'General case' 0 N--CA 1.478 0.926 0 C-N-CA 126.053 1.741 . . . . 0.0 112.586 171.203 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 8.4 m-80 -68.39 -8.53 41.12 Favored 'General case' 0 CA--C 1.545 0.777 0 C-N-CA 124.427 1.091 . . . . 0.0 113.763 -175.021 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 89.3 m-85 -97.72 -4.16 37.71 Favored 'General case' 0 CA--C 1.544 0.723 0 C-N-CA 125.594 1.558 . . . . 0.0 113.85 175.803 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 45.3 t -67.91 -33.18 74.21 Favored 'General case' 0 N--CA 1.474 0.738 0 O-C-N 121.27 -0.894 . . . . 0.0 113.09 178.522 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--O 1.253 1.261 0 C-N-CA 125.883 1.673 . . . . 0.0 113.24 178.002 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 1' ' ' PHE . . . . . . . . . . . . . 53.0 t80 . . . . . 0 N--CA 1.486 1.368 0 N-CA-C 110.757 -0.09 . . . . 0.0 110.757 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' B' B ' 2' ' ' VAL . . . . . . . . . . . . . 11.2 p -144.26 131.5 16.88 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.868 0 C-N-CA 124.871 1.268 . . . . 0.0 109.045 166.486 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 3' ' ' ASN . . . . . . . . . . . . . 70.1 m-20 -61.82 118.86 7.74 Favored 'General case' 0 CA--C 1.534 0.36 0 N-CA-C 109.499 -0.556 . . . . 0.0 109.499 173.595 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 4' ' ' GLN . . . . . . . . . . . . . 25.5 pt20 -155.45 178.4 10.28 Favored 'General case' 0 CA--C 1.533 0.296 0 CA-C-O 121.488 0.661 . . . . 0.0 111.211 -170.299 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 5' ' ' HIS . . . . . . . . . . . . . 77.1 m80 -82.86 131.57 35.19 Favored 'General case' 0 CA--C 1.543 0.709 0 C-N-CA 124.176 0.99 . . . . 0.0 110.065 169.938 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 79.6 mt -140.76 137.61 33.53 Favored 'General case' 0 N--CA 1.471 0.582 0 C-N-CA 124.768 1.227 . . . . 0.0 110.889 -172.603 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 7' ' ' CYS . . . . . . . . . . . . . 2.1 t -155.93 146.72 22.09 Favored 'General case' 0 N--CA 1.469 0.523 0 O-C-N 121.619 -0.676 . . . . 0.0 111.831 179.589 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 8' ' ' GLY . . . . . . . . . . . . . . . 59.62 -127.16 43.95 Favored Glycine 0 N--CA 1.471 0.972 0 C-N-CA 123.986 0.803 . . . . 0.0 112.344 -179.983 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 9' ' ' SER . . . . . . . . . . . . . 20.3 m -53.87 -38.65 64.96 Favored 'General case' 0 N--CA 1.47 0.546 0 C-N-CA 124.595 1.158 . . . . 0.0 112.819 178.111 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 10' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -63.74 -35.3 80.13 Favored 'General case' 0 CA--C 1.543 0.701 0 O-C-N 121.257 -0.902 . . . . 0.0 112.543 177.288 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 14.1 tp -75.13 -41.76 57.73 Favored 'General case' 0 CA--C 1.537 0.46 0 C-N-CA 124.359 1.063 . . . . 0.0 111.029 178.268 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 92.2 t -60.1 -42.94 91.7 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.109 0 C-N-CA 124.044 0.938 . . . . 0.0 111.312 171.155 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 22.2 mt-10 -58.43 -48.37 80.91 Favored 'General case' 0 N--CA 1.465 0.29 0 C-N-CA 123.604 0.762 . . . . 0.0 111.66 171.923 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 14' ' ' ALA . . . . . 0.539 ' O ' HG22 ' B' ' 18' ' ' VAL . . . -58.83 -47.34 85.15 Favored 'General case' 0 CA--C 1.535 0.392 0 CA-C-N 119.582 1.083 . . . . 0.0 112.34 178.512 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 3.9 mm? -56.07 -36.73 68.4 Favored 'General case' 0 N--CA 1.472 0.657 0 C-N-CA 123.551 0.74 . . . . 0.0 112.068 175.85 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 16' ' ' TYR . . . . . . . . . . . . . 85.5 t80 -63.38 -43.11 98.54 Favored 'General case' 0 CA--C 1.539 0.528 0 O-C-N 121.371 -0.83 . . . . 0.0 112.275 171.052 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 83.7 mt -66.02 -50.93 62.5 Favored 'General case' 0 CA--C 1.541 0.603 0 CA-C-N 118.87 0.759 . . . . 0.0 111.961 179.742 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 18' ' ' VAL . . . . . 0.539 HG22 ' O ' ' B' ' 14' ' ' ALA . 0.0 OUTLIER -70.09 -45.27 76.78 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.112 0 N-CA-C 112.576 0.584 . . . . 0.0 112.576 -178.774 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' B' B ' 19' ' ' CYS . . . . . . . . . . . . . 15.9 t -116.58 -33.4 4.89 Favored 'General case' 0 N--CA 1.472 0.635 0 N-CA-C 114.212 1.19 . . . . 0.0 114.212 -166.391 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . -73.69 -46.17 25.44 Favored Glycine 0 N--CA 1.474 1.175 0 C-N-CA 123.934 0.778 . . . . 0.0 112.723 -176.282 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 47.0 mt-10 -75.5 -51.77 12.22 Favored 'General case' 0 CA--C 1.536 0.414 0 C-N-CA 125.022 1.329 . . . . 0.0 111.175 172.895 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 22' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 66.83 -25.78 0.11 Allowed 'General case' 0 CA--C 1.546 0.814 0 C-N-CA 128.694 2.798 . . . . 0.0 114.917 178.205 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . -98.79 -144.71 17.32 Favored Glycine 0 CA--C 1.531 1.046 0 C-N-CA 126.785 2.136 . . . . 0.0 111.666 169.903 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 24' ' ' HIS . . . . . . . . . . . . . 30.9 p80 -66.82 162.11 22.3 Favored 'General case' 0 CA--C 1.552 1.027 0 N-CA-C 113.738 1.014 . . . . 0.0 113.738 174.643 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 25' ' ' PHE . . . . . . . . . . . . . 80.3 t80 -71.47 120.55 17.21 Favored 'General case' 0 CA--C 1.538 0.485 0 C-N-CA 124.33 1.052 . . . . 0.0 110.979 173.576 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 26' ' ' TYR . . . . . . . . . . . . . 54.6 t80 -77.55 147.65 35.63 Favored 'General case' 0 CA--C 1.542 0.651 0 C-N-CA 123.641 0.777 . . . . 0.0 112.764 177.558 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 27' ' ' THR . . . . . . . . . . . . . 20.9 p -121.27 100.72 44.88 Favored Pre-proline 0 N--CA 1.472 0.675 0 C-N-CA 125.972 1.709 . . . . 0.0 109.446 176.424 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 28' ' ' PRO . . . . . . . . . . . . . 87.4 Cg_exo -57.07 155.4 28.8 Favored 'Trans proline' 0 C--N 1.351 0.704 0 C-N-CA 124.185 3.257 . . . . 0.0 114.466 178.612 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 96.4 mttt -87.18 15.57 6.07 Favored 'General case' 0 CA--C 1.549 0.93 0 C-N-CA 125.224 1.41 . . . . 0.0 113.854 -175.217 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 30' ' ' THR . . . . . . . . . . . . . 20.3 m . . . . . 0 C--O 1.255 1.344 0 C-N-CA 127.533 2.333 . . . . 0.0 112.575 -178.295 . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.476 1.341 0 N-CA-C 111.683 -0.567 . . . . 0.0 111.683 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 8.4 tp -68.68 -36.98 76.89 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.024 0 N-CA-C 114.551 1.315 . . . . 0.0 114.551 -171.303 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 77.3 t -70.2 -45.85 74.22 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.073 0 CA-C-N 119.506 1.048 . . . . 0.0 110.448 -175.517 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -81.37 18.79 1.07 Allowed 'General case' 0 CA--C 1.548 0.886 0 N-CA-C 113.042 0.756 . . . . 0.0 113.042 172.315 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 8.1 tp-100 -107.87 -60.5 1.7 Allowed 'General case' 0 CA--C 1.54 0.595 0 C-N-CA 124.437 1.095 . . . . 0.0 109.532 159.175 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 54.3 m -86.37 -31.32 21.56 Favored 'General case' 0 N--CA 1.469 0.52 0 N-CA-C 115.714 1.746 . . . . 0.0 115.714 -169.802 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 36.9 t -82.36 -27.13 32.32 Favored 'General case' 0 N--CA 1.476 0.833 0 CA-C-N 119.775 1.17 . . . . 0.0 113.083 -179.694 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 10.6 t -84.54 -33.46 23.47 Favored 'General case' 0 N--CA 1.476 0.845 0 C-N-CA 124.653 1.181 . . . . 0.0 112.987 178.713 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 60.2 m -146.11 169.24 19.1 Favored 'General case' 0 CA--C 1.544 0.728 0 C-N-CA 125.083 1.353 . . . . 0.0 112.266 -172.985 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 23.5 mm -56.44 131.52 19.98 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.894 0 O-C-N 121.141 -0.975 . . . . 0.0 110.019 171.215 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 14.0 p -129.04 158.07 39.93 Favored 'General case' 0 N--CA 1.469 0.48 0 CA-C-O 121.626 0.727 . . . . 0.0 112.682 168.34 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 23.0 m -119.01 154.14 33.55 Favored 'General case' 0 N--CA 1.47 0.537 0 C-N-CA 124.777 1.231 . . . . 0.0 112.609 -173.744 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 13' ' ' LEU . . . . . 0.506 ' H ' HD23 ' A' ' 13' ' ' LEU . 1.9 pt? -59.25 -40.02 84.67 Favored 'General case' 0 N--CA 1.463 0.218 0 O-C-N 121.42 -0.8 . . . . 0.0 112.18 -173.499 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 19.0 p90 -68.54 -13.41 62.31 Favored 'General case' 0 CA--C 1.535 0.394 0 C-N-CA 125.049 1.339 . . . . 0.0 114.144 -174.035 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 3.8 pt20 -111.43 -38.62 4.9 Favored 'General case' 0 C--O 1.223 -0.336 0 C-N-CA 124.175 0.99 . . . . 0.0 109.428 176.859 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 16' ' ' LEU . . . . . 0.413 HD11 HG21 ' B' ' 18' ' ' VAL . 0.3 OUTLIER -65.21 -27.37 68.63 Favored 'General case' 0 CA--C 1.549 0.907 0 CA-C-N 120.276 1.398 . . . . 0.0 112.679 -178.021 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 30.9 mt-10 -48.43 -37.93 18.43 Favored 'General case' 0 N--CA 1.481 1.082 0 C-N-CA 124.457 1.103 . . . . 0.0 112.444 168.813 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 26.8 m-80 -65.61 -21.22 66.56 Favored 'General case' 0 CA--C 1.542 0.638 0 C-N-CA 124.341 1.056 . . . . 0.0 113.028 -170.237 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 61.0 m-85 -87.82 -9.74 52.97 Favored 'General case' 0 CA--C 1.541 0.632 0 C-N-CA 125.998 1.719 . . . . 0.0 113.296 -178.304 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 16.9 t -70.8 -26.13 63.18 Favored 'General case' 0 CA--C 1.544 0.746 0 C-N-CA 123.896 0.879 . . . . 0.0 113.082 176.906 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 C--O 1.252 1.229 0 C-N-CA 126.172 1.789 . . . . 0.0 111.866 177.026 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 1' ' ' PHE . . . . . . . . . . . . . 41.3 t80 . . . . . 0 N--CA 1.485 1.321 0 N-CA-C 110.244 -0.28 . . . . 0.0 110.244 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' B' B ' 2' ' ' VAL . . . . . . . . . . . . . 86.7 t -129.51 122.56 55.67 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.995 0 C-N-CA 124.738 1.215 . . . . 0.0 108.419 171.585 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 3' ' ' ASN . . . . . . . . . . . . . 68.8 m-20 -67.88 119.7 12.99 Favored 'General case' 0 CA--C 1.536 0.408 0 C-N-CA 123.444 0.698 . . . . 0.0 109.448 175.97 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 4' ' ' GLN . . . . . . . . . . . . . 12.0 pt20 -158.66 179.23 9.3 Favored 'General case' 0 CA--C 1.534 0.351 0 C-N-CA 123.222 0.609 . . . . 0.0 112.104 -165.09 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 5' ' ' HIS . . . . . . . . . . . . . 73.6 m80 -81.64 128.82 34.35 Favored 'General case' 0 CA--C 1.546 0.816 0 C-N-CA 124.098 0.959 . . . . 0.0 110.383 167.635 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 92.4 mt -131.58 126.83 35.79 Favored 'General case' 0 N--CA 1.47 0.553 0 C-N-CA 125.235 1.414 . . . . 0.0 110.77 -176.857 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 7' ' ' CYS . . . . . . . . . . . . . 66.6 m -134.97 144.32 47.34 Favored 'General case' 0 N--CA 1.471 0.592 0 C-N-CA 125.242 1.417 . . . . 0.0 110.431 -179.725 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 8' ' ' GLY . . . . . . . . . . . . . . . 54.79 -122.99 27.5 Favored Glycine 0 N--CA 1.474 1.175 0 C-N-CA 124.057 0.837 . . . . 0.0 113.304 170.157 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 9' ' ' SER . . . . . . . . . . . . . 20.3 m -54.35 -39.95 67.6 Favored 'General case' 0 N--CA 1.47 0.537 0 C-N-CA 124.447 1.099 . . . . 0.0 112.802 178.269 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 10' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -63.47 -38.42 91.07 Favored 'General case' 0 CA--C 1.541 0.613 0 O-C-N 121.261 -0.899 . . . . 0.0 112.242 176.676 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 17.4 tp -70.36 -44.68 67.6 Favored 'General case' 0 CA--C 1.536 0.426 0 C-N-CA 124.282 1.033 . . . . 0.0 110.951 177.655 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 75.7 t -59.92 -44.0 93.45 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.968 0 C-N-CA 124.249 1.02 . . . . 0.0 111.289 173.854 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 21.6 mt-10 -58.99 -45.07 91.52 Favored 'General case' 0 N--CA 1.468 0.451 0 C-N-CA 123.999 0.92 . . . . 0.0 112.169 173.918 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -61.64 -49.25 77.31 Favored 'General case' 0 CA--C 1.533 0.319 0 CA-C-N 118.91 0.777 . . . . 0.0 111.563 176.655 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 3.8 mm? -55.35 -38.77 69.22 Favored 'General case' 0 N--CA 1.469 0.521 0 CA-C-N 118.792 0.724 . . . . 0.0 112.06 176.78 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 16' ' ' TYR . . . . . . . . . . . . . 68.6 t80 -60.53 -45.57 93.38 Favored 'General case' 0 CA--C 1.535 0.366 0 CA-C-N 118.995 0.816 . . . . 0.0 112.089 171.896 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 95.9 mt -65.78 -48.52 71.51 Favored 'General case' 0 CA--C 1.537 0.454 0 CA-C-N 118.955 0.798 . . . . 0.0 112.19 179.445 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 18' ' ' VAL . . . . . 0.413 HG21 HD11 ' A' ' 16' ' ' LEU . 0.0 OUTLIER -79.02 -32.87 15.56 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.374 0 N-CA-C 113.563 0.949 . . . . 0.0 113.563 -175.265 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' B' B ' 19' ' ' CYS . . . . . . . . . . . . . 15.3 t -116.56 -26.77 6.94 Favored 'General case' 0 CA--C 1.543 0.691 0 N-CA-C 115.342 1.608 . . . . 0.0 115.342 -171.86 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . -86.08 -72.29 1.29 Allowed Glycine 0 N--CA 1.474 1.169 0 C-N-CA 124.358 0.98 . . . . 0.0 111.212 176.428 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 8.9 tp10 -66.51 -27.91 68.15 Favored 'General case' 0 CA--C 1.544 0.75 0 C-N-CA 126.487 1.915 . . . . 0.0 112.324 174.527 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 22' ' ' ARG . . . . . . . . . . . . . 51.5 mtm180 48.85 44.99 22.37 Favored 'General case' 0 CA--C 1.543 0.679 0 C-N-CA 126.648 1.979 . . . . 0.0 112.187 -175.352 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . -175.6 162.2 31.42 Favored Glycine 0 CA--C 1.529 0.933 0 C-N-CA 126.142 1.83 . . . . 0.0 113.067 -176.367 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 24' ' ' HIS . . . . . . . . . . . . . 93.6 m-70 -66.37 155.38 37.52 Favored 'General case' 0 CA--C 1.549 0.91 0 N-CA-C 113.728 1.011 . . . . 0.0 113.728 -176.283 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 25' ' ' PHE . . . . . . . . . . . . . 76.7 t80 -65.07 146.49 54.94 Favored 'General case' 0 CA--C 1.541 0.63 0 C-N-CA 124.137 0.975 . . . . 0.0 112.356 177.968 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 26' ' ' TYR . . . . . . . . . . . . . 65.7 t80 -149.36 150.45 32.48 Favored 'General case' 0 CA--C 1.542 0.665 0 C-N-CA 125.919 1.688 . . . . 0.0 111.737 -178.342 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 27' ' ' THR . . . . . . . . . . . . . 20.6 p -118.54 110.97 38.32 Favored Pre-proline 0 N--CA 1.474 0.764 0 C-N-CA 125.913 1.685 . . . . 0.0 109.625 176.72 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 28' ' ' PRO . . . . . . . . . . . . . 86.7 Cg_endo -76.77 158.37 35.23 Favored 'Trans proline' 0 C--N 1.349 0.595 0 C-N-CA 123.155 2.57 . . . . 0.0 111.891 -178.115 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 57.2 mtmt -90.44 14.47 12.91 Favored 'General case' 0 CA--C 1.547 0.862 0 C-N-CA 124.808 1.243 . . . . 0.0 114.053 -175.933 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 30' ' ' THR . . . . . . . . . . . . . 32.4 p . . . . . 0 C--O 1.253 1.256 0 C-N-CA 127.182 2.193 . . . . 0.0 112.986 -177.525 . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.482 1.71 0 CA-C-O 121.208 0.338 . . . . 0.0 112.884 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 8.5 tp -67.45 -42.09 86.79 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.13 0 C-N-CA 125.223 1.409 . . . . 0.0 114.188 -172.338 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 84.8 t -65.48 -46.1 90.88 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.159 0 C-N-CA 123.574 0.75 . . . . 0.0 110.664 -175.725 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 17.7 pt-20 -70.86 7.47 1.15 Allowed 'General case' 0 CA--C 1.545 0.752 0 N-CA-C 113.727 1.01 . . . . 0.0 113.727 176.711 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 23.7 mm-40 -114.83 -65.9 1.14 Allowed 'General case' 0 CA--C 1.538 0.484 0 C-N-CA 124.582 1.153 . . . . 0.0 110.208 166.108 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 63.0 m -71.74 -27.94 63.33 Favored 'General case' 0 N--CA 1.473 0.718 0 N-CA-C 115.236 1.569 . . . . 0.0 115.236 -171.642 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 47.2 t -82.26 -32.32 29.68 Favored 'General case' 0 N--CA 1.476 0.855 0 CA-C-N 119.371 0.987 . . . . 0.0 113.444 178.641 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 12.4 t -86.39 -28.51 23.55 Favored 'General case' 0 N--CA 1.477 0.91 0 C-N-CA 124.179 0.992 . . . . 0.0 112.756 179.475 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 90.4 p -151.43 168.23 25.49 Favored 'General case' 0 N--CA 1.468 0.445 0 C-N-CA 124.177 0.991 . . . . 0.0 112.837 -179.791 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 12.9 mt -75.24 121.4 26.79 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.277 0 O-C-N 121.308 -0.87 . . . . 0.0 111.115 -175.662 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 28.6 p -107.35 152.32 24.31 Favored 'General case' 0 CA--C 1.538 0.51 0 C-N-CA 124.984 1.313 . . . . 0.0 111.586 175.632 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 59.3 m -97.91 152.79 18.86 Favored 'General case' 0 N--CA 1.471 0.58 0 C-N-CA 123.955 0.902 . . . . 0.0 112.233 176.877 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 13' ' ' LEU . . . . . 0.509 ' H ' HD23 ' A' ' 13' ' ' LEU . 1.9 pt? -59.25 -39.87 84.19 Favored 'General case' 0 CA--C 1.53 0.191 0 O-C-N 121.457 -0.777 . . . . 0.0 112.373 -174.267 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 22.4 p90 -68.78 -17.43 64.03 Favored 'General case' 0 CA--C 1.535 0.384 0 C-N-CA 124.503 1.121 . . . . 0.0 113.662 -174.596 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 3.8 pt20 -108.44 -24.82 11.26 Favored 'General case' 0 C--O 1.224 -0.288 0 C-N-CA 124.056 0.942 . . . . 0.0 111.135 178.707 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 16' ' ' LEU . . . . . 0.49 HD11 HG21 ' B' ' 18' ' ' VAL . 0.3 OUTLIER -74.4 -28.73 61.22 Favored 'General case' 0 CA--C 1.549 0.908 0 CA-C-N 119.727 1.149 . . . . 0.0 111.986 175.503 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 29.3 mt-10 -54.04 -34.99 61.48 Favored 'General case' 0 N--CA 1.48 1.056 0 CA-C-N 119.086 0.857 . . . . 0.0 111.848 171.212 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 8.3 m-80 -66.36 -8.46 25.57 Favored 'General case' 0 CA--C 1.549 0.905 0 N-CA-C 113.749 1.018 . . . . 0.0 113.749 -176.267 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 71.5 m-85 -98.41 -8.72 26.38 Favored 'General case' 0 CA--C 1.544 0.735 0 C-N-CA 125.863 1.665 . . . . 0.0 113.642 173.718 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 38.5 t -70.08 -31.73 69.47 Favored 'General case' 0 N--CA 1.473 0.708 0 C-N-CA 123.992 0.917 . . . . 0.0 112.938 -179.287 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--O 1.254 1.304 0 C-N-CA 126.083 1.753 . . . . 0.0 113.321 178.038 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 1' ' ' PHE . . . . . . . . . . . . . 71.3 t80 . . . . . 0 N--CA 1.487 1.38 0 CA-C-O 119.832 -0.128 . . . . 0.0 110.754 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' B' B ' 2' ' ' VAL . . . . . . . . . . . . . 96.1 t -132.08 121.74 47.23 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.955 0 C-N-CA 124.905 1.282 . . . . 0.0 108.256 169.759 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 3' ' ' ASN . . . . . . . . . . . . . 8.4 m120 -65.03 115.62 5.6 Favored 'General case' 0 CA--C 1.541 0.633 0 C-N-CA 123.784 0.834 . . . . 0.0 109.805 172.711 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 4' ' ' GLN . . . . . . . . . . . . . 14.7 pt20 -161.08 -178.14 6.56 Favored 'General case' 0 CA--C 1.537 0.475 0 C-N-CA 125.528 1.531 . . . . 0.0 110.402 -171.601 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 5' ' ' HIS . . . . . . . . . . . . . 78.6 m-70 -86.75 128.17 35.01 Favored 'General case' 0 CA--C 1.542 0.635 0 C-N-CA 123.961 0.904 . . . . 0.0 110.447 171.421 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 96.1 mt -128.39 121.55 29.34 Favored 'General case' 0 N--CA 1.468 0.465 0 C-N-CA 124.868 1.267 . . . . 0.0 110.891 -172.903 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 7' ' ' CYS . . . . . . . . . . . . . 59.0 m -134.25 142.41 47.33 Favored 'General case' 0 N--CA 1.47 0.527 0 C-N-CA 125.198 1.399 . . . . 0.0 110.293 -178.204 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 8' ' ' GLY . . . . . . . . . . . . . . . 55.6 -123.4 30.19 Favored Glycine 0 N--CA 1.473 1.157 0 C-N-CA 123.972 0.796 . . . . 0.0 113.198 171.323 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 9' ' ' SER . . . . . . . . . . . . . 20.4 m -53.95 -40.44 66.81 Favored 'General case' 0 N--CA 1.47 0.554 0 C-N-CA 124.445 1.098 . . . . 0.0 112.772 178.242 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 10' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -63.14 -38.32 90.72 Favored 'General case' 0 CA--C 1.542 0.635 0 O-C-N 121.35 -0.843 . . . . 0.0 112.207 177.506 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 21.1 tp -71.62 -44.69 63.94 Favored 'General case' 0 CA--C 1.537 0.45 0 C-N-CA 124.554 1.142 . . . . 0.0 110.993 178.097 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 73.4 t -59.31 -43.28 89.67 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.074 0 C-N-CA 124.106 0.962 . . . . 0.0 111.195 173.164 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 24.4 mt-10 -58.78 -47.89 83.14 Favored 'General case' 0 CA--C 1.533 0.325 0 C-N-CA 123.856 0.863 . . . . 0.0 111.843 173.184 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 14' ' ' ALA . . . . . 0.433 ' O ' HG23 ' B' ' 18' ' ' VAL . . . -60.99 -47.54 85.96 Favored 'General case' 0 CA--C 1.532 0.264 0 CA-C-N 119.403 1.002 . . . . 0.0 111.846 177.99 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 3.7 mm? -55.38 -38.44 68.87 Favored 'General case' 0 N--CA 1.469 0.496 0 C-N-CA 123.276 0.63 . . . . 0.0 111.899 176.679 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 16' ' ' TYR . . . . . . . . . . . . . 81.7 t80 -62.73 -46.42 88.14 Favored 'General case' 0 CA--C 1.536 0.423 0 CA-C-N 119.0 0.818 . . . . 0.0 112.206 171.369 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 96.1 mt -63.07 -44.93 94.41 Favored 'General case' 0 CA--C 1.536 0.427 0 CA-C-N 118.683 0.674 . . . . 0.0 112.339 -179.612 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 18' ' ' VAL . . . . . 0.49 HG21 HD11 ' A' ' 16' ' ' LEU . 0.1 OUTLIER -76.85 -50.34 21.41 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.07 0 CA-C-N 118.738 0.699 . . . . 0.0 111.767 -179.038 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' B' B ' 19' ' ' CYS . . . . . . . . . . . . . 35.7 t -102.26 -35.79 8.73 Favored 'General case' 0 CA--C 1.539 0.549 0 N-CA-C 113.776 1.028 . . . . 0.0 113.776 -166.251 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . -80.21 -51.7 4.88 Favored Glycine 0 N--CA 1.471 1.024 0 C-N-CA 124.14 0.876 . . . . 0.0 112.51 -174.782 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 34.9 tt0 -62.88 -34.07 76.63 Favored 'General case' 0 CA--C 1.539 0.527 0 C-N-CA 124.521 1.128 . . . . 0.0 112.339 -176.673 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 22' ' ' ARG . . . . . . . . . . . . . 12.0 ptm180 -70.31 -4.52 22.47 Favored 'General case' 0 CA--C 1.546 0.819 0 N-CA-C 114.285 1.217 . . . . 0.0 114.285 174.922 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . -87.73 -31.7 14.9 Favored Glycine 0 CA--C 1.532 1.143 0 C-N-CA 125.495 1.521 . . . . 0.0 112.79 167.836 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 24' ' ' HIS . . . . . . . . . . . . . 97.6 m-70 -88.14 -27.48 21.86 Favored 'General case' 0 CA--C 1.546 0.825 0 C-N-CA 125.099 1.36 . . . . 0.0 113.768 178.503 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 25' ' ' PHE . . . . . . . . . . . . . 72.9 t80 -133.64 151.54 51.69 Favored 'General case' 0 CA--C 1.54 0.562 0 C-N-CA 125.86 1.664 . . . . 0.0 111.393 -179.537 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 26' ' ' TYR . . . . . . . . . . . . . 51.2 t80 -68.34 150.27 48.4 Favored 'General case' 0 CA--C 1.544 0.733 0 N-CA-C 114.143 1.164 . . . . 0.0 114.143 -175.837 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 27' ' ' THR . . . . . . . . . . . . . 17.3 p -126.98 121.03 22.76 Favored Pre-proline 0 N--CA 1.475 0.819 0 C-N-CA 125.756 1.623 . . . . 0.0 109.365 168.911 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 28' ' ' PRO . . . . . . . . . . . . . 68.6 Cg_endo -79.68 167.23 20.92 Favored 'Trans proline' 0 CA--C 1.536 0.596 0 C-N-CA 123.393 2.729 . . . . 0.0 111.82 -179.259 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 25.9 pttm -78.71 11.22 2.69 Favored 'General case' 0 CA--C 1.549 0.913 0 N-CA-C 115.222 1.564 . . . . 0.0 115.222 179.817 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 30' ' ' THR . . . . . . . . . . . . . 25.5 m . . . . . 0 C--O 1.253 1.244 0 C-N-CA 127.379 2.272 . . . . 0.0 112.583 -177.671 . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.478 1.471 0 N-CA-C 111.754 -0.538 . . . . 0.0 111.754 . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 9.3 tp -62.98 -40.35 88.68 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.132 0 C-N-CA 124.62 1.168 . . . . 0.0 113.249 -173.856 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 84.6 t -64.34 -41.48 92.5 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.915 0 C-N-CA 123.71 0.804 . . . . 0.0 110.408 179.419 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 43.0 mp0 -75.64 -2.55 29.87 Favored 'General case' 0 CA--C 1.544 0.749 0 C-N-CA 123.991 0.916 . . . . 0.0 113.226 178.667 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 30.7 mm100 -95.79 -56.66 2.6 Favored 'General case' 0 CA--C 1.536 0.435 0 CA-C-N 119.07 0.85 . . . . 0.0 110.645 162.258 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 35.9 m -92.21 -28.62 16.91 Favored 'General case' 0 N--CA 1.47 0.56 0 N-CA-C 114.934 1.457 . . . . 0.0 114.934 -162.693 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 11.7 t -74.62 -25.34 59.17 Favored 'General case' 0 N--CA 1.473 0.716 0 O-C-N 121.426 -0.796 . . . . 0.0 112.885 175.16 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 6.7 t -92.82 -32.11 14.76 Favored 'General case' 0 N--CA 1.473 0.705 0 C-N-CA 124.997 1.319 . . . . 0.0 112.966 178.125 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 3.9 t -152.73 -175.21 5.2 Favored 'General case' 0 CA--C 1.543 0.698 0 N-CA-C 114.101 1.149 . . . . 0.0 114.101 -175.082 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 34.4 mm -64.78 128.31 27.16 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.454 0 C-N-CA 125.095 1.358 . . . . 0.0 111.209 178.945 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 10.2 m -112.45 130.19 56.07 Favored 'General case' 0 N--CA 1.467 0.418 0 C-N-CA 124.568 1.147 . . . . 0.0 111.536 165.595 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 48.9 m -89.44 156.33 18.74 Favored 'General case' 0 CA--C 1.537 0.45 0 C-N-CA 124.428 1.091 . . . . 0.0 111.605 165.937 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 13' ' ' LEU . . . . . 0.569 ' H ' HD23 ' A' ' 13' ' ' LEU . 1.5 pt? -56.72 -43.57 80.73 Favored 'General case' 0 CA--C 1.532 0.278 0 C-N-CA 123.949 0.9 . . . . 0.0 112.029 -176.86 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 26.6 p90 -69.35 -13.56 62.44 Favored 'General case' 0 CA--C 1.535 0.399 0 C-N-CA 124.833 1.253 . . . . 0.0 114.2 -170.695 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 2.2 pt20 -113.14 -26.63 8.35 Favored 'General case' 0 C--O 1.223 -0.309 0 C-N-CA 124.233 1.013 . . . . 0.0 111.05 -178.546 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -78.5 -30.12 47.03 Favored 'General case' 0 CA--C 1.548 0.884 0 C-N-CA 123.899 0.88 . . . . 0.0 111.531 177.636 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 27.7 mt-10 -50.25 -36.45 31.22 Favored 'General case' 0 N--CA 1.483 1.189 0 C-N-CA 125.285 1.434 . . . . 0.0 111.949 170.368 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 4.3 m120 -57.01 -26.28 59.98 Favored 'General case' 0 CA--C 1.541 0.621 0 C-N-CA 125.335 1.454 . . . . 0.0 112.841 -175.114 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 93.6 m-85 -88.61 -6.55 57.45 Favored 'General case' 0 CA--C 1.541 0.629 0 C-N-CA 125.978 1.711 . . . . 0.0 113.741 -177.396 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 11.6 t -75.56 -26.12 57.69 Favored 'General case' 0 CA--C 1.545 0.765 0 C-N-CA 123.492 0.717 . . . . 0.0 112.693 173.741 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 24.2 t-20 . . . . . 0 C--O 1.254 1.297 0 C-N-CA 125.636 1.574 . . . . 0.0 113.063 178.06 . . . . . . . . 0 0 . 1 . 011 nuclear build full ' B' B ' 1' ' ' PHE . . . . . . . . . . . . . 30.0 t80 . . . . . 0 N--CA 1.487 1.383 0 N-CA-C 110.759 -0.089 . . . . 0.0 110.759 . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' B' B ' 2' ' ' VAL . . . . . . . . . . . . . 12.4 p -147.21 134.62 14.26 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.863 0 C-N-CA 125.021 1.328 . . . . 0.0 109.169 168.468 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 3' ' ' ASN . . . . . . . . . . . . . 5.8 p30 -64.78 124.9 23.17 Favored 'General case' 0 CA--C 1.534 0.354 0 CA-C-O 120.768 0.318 . . . . 0.0 110.501 172.642 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 4' ' ' GLN . . . . . . . . . . . . . 23.6 pt20 -160.17 172.28 17.71 Favored 'General case' 0 CA--C 1.53 0.187 0 CA-C-O 121.804 0.811 . . . . 0.0 112.052 -165.844 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 5' ' ' HIS . . . . . . . . . . . . . 76.0 m80 -77.95 132.28 37.8 Favored 'General case' 0 CA--C 1.544 0.729 0 C-N-CA 124.304 1.041 . . . . 0.0 110.277 169.494 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 89.7 mt -140.33 132.32 27.78 Favored 'General case' 0 N--CA 1.47 0.572 0 C-N-CA 124.797 1.239 . . . . 0.0 110.868 -173.954 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 7' ' ' CYS . . . . . . . . . . . . . 3.0 t -155.07 145.92 22.47 Favored 'General case' 0 N--CA 1.468 0.462 0 O-C-N 121.686 -0.634 . . . . 0.0 111.81 178.2 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 8' ' ' GLY . . . . . . . . . . . . . . . 59.82 -126.65 42.41 Favored Glycine 0 CA--C 1.529 0.942 0 C-N-CA 123.866 0.746 . . . . 0.0 112.198 -179.088 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 9' ' ' SER . . . . . . . . . . . . . 20.1 m -53.48 -39.94 64.92 Favored 'General case' 0 N--CA 1.47 0.534 0 C-N-CA 124.609 1.164 . . . . 0.0 112.65 178.197 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 10' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -62.76 -38.06 89.08 Favored 'General case' 0 CA--C 1.541 0.61 0 O-C-N 121.189 -0.944 . . . . 0.0 112.503 177.915 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 15.5 tp -71.37 -44.12 65.59 Favored 'General case' 0 CA--C 1.536 0.411 0 C-N-CA 124.351 1.06 . . . . 0.0 110.776 178.43 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 83.0 t -59.89 -44.03 93.43 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.012 0 C-N-CA 123.914 0.885 . . . . 0.0 111.246 173.3 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 23.9 mt-10 -59.54 -45.71 90.98 Favored 'General case' 0 N--CA 1.466 0.332 0 C-N-CA 124.066 0.946 . . . . 0.0 112.126 173.996 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -61.37 -49.1 78.29 Favored 'General case' 0 CA--C 1.532 0.275 0 CA-C-N 119.057 0.844 . . . . 0.0 111.487 177.792 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 3.9 mm? -54.99 -37.96 67.23 Favored 'General case' 0 N--CA 1.472 0.647 0 CA-C-N 119.048 0.84 . . . . 0.0 112.049 176.856 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 16' ' ' TYR . . . . . . . . . . . . . 54.1 t80 -62.24 -43.52 98.63 Favored 'General case' 0 CA--C 1.539 0.523 0 O-C-N 121.256 -0.903 . . . . 0.0 112.408 172.004 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 95.4 mt -68.92 -46.08 69.18 Favored 'General case' 0 CA--C 1.537 0.474 0 O-C-N 121.534 -0.729 . . . . 0.0 112.556 179.976 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 18' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -78.08 -40.76 26.54 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.28 0 CA-C-N 118.998 0.817 . . . . 0.0 112.515 -178.004 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 19' ' ' CYS . . . . . . . . . . . . . 15.0 t -111.45 -39.65 4.6 Favored 'General case' 0 CA--C 1.538 0.514 0 N-CA-C 113.811 1.041 . . . . 0.0 113.811 -171.35 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . -69.81 -33.73 71.17 Favored Glycine 0 N--CA 1.475 1.281 0 O-C-N 121.446 -0.784 . . . . 0.0 113.079 -177.854 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 37.7 tt0 -60.9 -21.8 63.7 Favored 'General case' 0 CA--C 1.548 0.901 0 C-N-CA 125.197 1.399 . . . . 0.0 112.943 174.86 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 22' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -74.32 -6.2 46.65 Favored 'General case' 0 N--CA 1.475 0.799 0 C-N-CA 124.751 1.22 . . . . 0.0 113.34 174.927 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . 115.06 141.8 7.59 Favored Glycine 0 CA--C 1.529 0.909 0 C-N-CA 126.844 2.164 . . . . 0.0 112.219 -178.635 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 24' ' ' HIS . . . . . . . . . . . . . 24.2 m170 -87.58 -8.02 56.8 Favored 'General case' 0 CA--C 1.548 0.889 0 N-CA-C 114.535 1.309 . . . . 0.0 114.535 -172.056 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 25' ' ' PHE . . . . . . . . . . . . . 77.6 t80 -66.88 148.52 51.83 Favored 'General case' 0 CA--C 1.542 0.653 0 C-N-CA 124.967 1.307 . . . . 0.0 112.632 -178.866 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 26' ' ' TYR . . . . . . . . . . . . . 64.5 t80 -146.71 150.66 35.83 Favored 'General case' 0 CA--C 1.543 0.685 0 C-N-CA 126.007 1.723 . . . . 0.0 111.711 -179.847 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 27' ' ' THR . . . . . . . . . . . . . 21.5 p -112.19 97.5 39.3 Favored Pre-proline 0 N--CA 1.474 0.748 0 C-N-CA 126.087 1.755 . . . . 0.0 110.336 -179.97 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 28' ' ' PRO . . . . . . . . . . . . . 97.2 Cg_endo -74.95 159.07 41.96 Favored 'Trans proline' 0 C--N 1.35 0.615 0 C-N-CA 123.325 2.683 . . . . 0.0 111.681 178.088 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 30.4 mtpp -134.74 156.38 48.93 Favored 'General case' 0 CA--C 1.546 0.814 0 C-N-CA 125.185 1.394 . . . . 0.0 112.108 -178.899 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 30' ' ' THR . . . . . . . . . . . . . 18.9 m . . . . . 0 C--O 1.253 1.253 0 C-N-CA 125.994 1.718 . . . . 0.0 112.261 178.804 . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.482 1.707 0 CA-C-O 121.199 0.333 . . . . 0.0 112.941 . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 7.9 tp -67.1 -39.35 83.03 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.174 0 C-N-CA 124.856 1.262 . . . . 0.0 113.97 -172.961 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 96.5 t -64.7 -43.93 96.57 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.188 0 O-C-N 121.417 -0.802 . . . . 0.0 111.086 -177.087 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 17.3 pt-20 -74.6 0.54 14.63 Favored 'General case' 0 CA--C 1.546 0.806 0 N-CA-C 113.649 0.981 . . . . 0.0 113.649 177.46 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 14.6 tp60 -99.75 -56.78 2.3 Favored 'General case' 0 CA--C 1.537 0.443 0 C-N-CA 123.972 0.909 . . . . 0.0 110.363 164.947 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 55.7 m -87.37 -30.2 20.95 Favored 'General case' 0 N--CA 1.468 0.438 0 N-CA-C 115.483 1.661 . . . . 0.0 115.483 -167.28 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 36.4 t -81.08 -25.31 37.13 Favored 'General case' 0 N--CA 1.476 0.846 0 O-C-N 120.938 -1.101 . . . . 0.0 113.534 -179.223 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 5.7 t -91.77 -19.21 22.83 Favored 'General case' 0 N--CA 1.474 0.73 0 C-N-CA 124.699 1.2 . . . . 0.0 113.852 -179.722 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 87.2 p -158.86 168.75 25.98 Favored 'General case' 0 CA--C 1.54 0.589 0 C-N-CA 124.167 0.987 . . . . 0.0 112.63 -171.426 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 26.8 mm -59.55 125.71 16.07 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.696 0 O-C-N 121.459 -0.776 . . . . 0.0 109.609 171.77 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 14.2 p -122.27 153.4 38.94 Favored 'General case' 0 CA--C 1.535 0.37 0 CA-C-O 121.625 0.726 . . . . 0.0 112.235 168.688 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 37.9 m -115.54 154.82 28.68 Favored 'General case' 0 N--CA 1.469 0.499 0 C-N-CA 124.156 0.983 . . . . 0.0 113.097 -172.15 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 13' ' ' LEU . . . . . 0.536 ' H ' HD23 ' A' ' 13' ' ' LEU . 1.6 pt? -57.76 -39.68 77.98 Favored 'General case' 0 N--CA 1.464 0.231 0 C-N-CA 123.747 0.819 . . . . 0.0 112.325 -172.481 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 21.8 p90 -70.21 -12.45 61.61 Favored 'General case' 0 CA--C 1.537 0.475 0 C-N-CA 125.283 1.433 . . . . 0.0 114.136 -174.176 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 3.9 pt20 -118.28 -26.22 6.36 Favored 'General case' 0 CA--C 1.533 0.316 0 C-N-CA 124.237 1.015 . . . . 0.0 111.096 -179.589 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -77.22 -29.85 54.35 Favored 'General case' 0 CA--C 1.547 0.864 0 CA-C-N 119.165 0.893 . . . . 0.0 111.887 178.736 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 19.4 mt-10 -54.91 -32.66 61.34 Favored 'General case' 0 N--CA 1.48 1.026 0 C-N-CA 124.035 0.934 . . . . 0.0 111.774 168.437 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 1.3 t-20 -59.67 -23.06 62.76 Favored 'General case' 0 CA--C 1.54 0.572 0 C-N-CA 124.005 0.922 . . . . 0.0 113.285 -177.318 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 82.1 m-85 -87.75 -16.15 35.03 Favored 'General case' 0 CA--C 1.542 0.645 0 C-N-CA 125.276 1.43 . . . . 0.0 113.291 176.398 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 11.2 t -79.33 -30.23 42.67 Favored 'General case' 0 CA--C 1.541 0.615 0 C-N-CA 124.238 1.015 . . . . 0.0 111.95 170.042 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 11.9 m-80 . . . . . 0 C--O 1.254 1.297 0 C-N-CA 126.006 1.722 . . . . 0.0 112.819 -178.946 . . . . . . . . 0 0 . 1 . 012 nuclear build full ' B' B ' 1' ' ' PHE . . . . . . . . . . . . . 51.4 t80 . . . . . 0 N--CA 1.487 1.415 0 N-CA-C 111.112 0.041 . . . . 0.0 111.112 . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' B' B ' 2' ' ' VAL . . . . . . . . . . . . . 10.0 p -146.55 134.64 15.5 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.813 0 C-N-CA 125.47 1.508 . . . . 0.0 108.713 165.698 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 3' ' ' ASN . . . . . . . . . . . . . 69.2 m-20 -63.7 117.34 6.72 Favored 'General case' 0 CA--C 1.538 0.492 0 C-N-CA 123.108 0.563 . . . . 0.0 109.627 178.103 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 4' ' ' GLN . . . . . . . . . . . . . 24.9 pt20 -157.84 178.89 9.74 Favored 'General case' 0 CA--C 1.534 0.333 0 CA-C-O 121.485 0.66 . . . . 0.0 112.646 -165.209 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 5' ' ' HIS . . . . . . . . . . . . . 77.4 m80 -82.32 132.96 35.22 Favored 'General case' 0 CA--C 1.543 0.68 0 C-N-CA 124.605 1.162 . . . . 0.0 110.71 168.854 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 80.3 mt -140.36 126.36 19.59 Favored 'General case' 0 N--CA 1.469 0.523 0 C-N-CA 124.792 1.237 . . . . 0.0 111.505 -173.772 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 7' ' ' CYS . . . . . . . . . . . . . 61.1 m -135.43 142.62 45.63 Favored 'General case' 0 N--CA 1.471 0.601 0 C-N-CA 124.962 1.305 . . . . 0.0 110.361 178.875 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 8' ' ' GLY . . . . . . . . . . . . . . . 55.47 -121.59 23.29 Favored Glycine 0 N--CA 1.474 1.167 0 C-N-CA 124.049 0.833 . . . . 0.0 113.418 170.482 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 9' ' ' SER . . . . . . . . . . . . . 20.7 m -54.04 -40.55 67.2 Favored 'General case' 0 N--CA 1.47 0.557 0 C-N-CA 124.502 1.121 . . . . 0.0 112.711 177.741 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 10' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -63.39 -37.65 88.09 Favored 'General case' 0 N--CA 1.472 0.627 0 O-C-N 121.219 -0.926 . . . . 0.0 112.102 176.63 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 17.3 tp -70.97 -43.07 68.83 Favored 'General case' 0 CA--C 1.538 0.507 0 C-N-CA 124.383 1.073 . . . . 0.0 111.036 178.508 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 76.6 t -60.47 -43.76 94.9 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.05 0 C-N-CA 123.961 0.904 . . . . 0.0 111.339 171.772 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 23.5 mt-10 -59.3 -43.36 92.61 Favored 'General case' 0 N--CA 1.466 0.36 0 C-N-CA 124.012 0.925 . . . . 0.0 112.18 173.929 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 14' ' ' ALA . . . . . 0.43 ' O ' HG23 ' B' ' 18' ' ' VAL . . . -62.77 -49.85 73.35 Favored 'General case' 0 N--CA 1.453 -0.295 0 O-C-N 121.207 -0.933 . . . . 0.0 111.521 176.209 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 4.0 mm? -55.65 -37.55 68.4 Favored 'General case' 0 N--CA 1.471 0.591 0 CA-C-N 119.232 0.924 . . . . 0.0 112.097 177.8 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 16' ' ' TYR . . . . . . . . . . . . . 83.8 t80 -59.71 -50.41 73.95 Favored 'General case' 0 N--CA 1.468 0.451 0 CA-C-N 119.112 0.869 . . . . 0.0 112.093 169.058 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 97.5 mt -63.0 -42.23 99.79 Favored 'General case' 0 CA--C 1.536 0.417 0 N-CA-C 113.101 0.778 . . . . 0.0 113.101 -178.606 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 18' ' ' VAL . . . . . 0.43 HG23 ' O ' ' B' ' 14' ' ' ALA . 0.0 OUTLIER -84.61 -36.95 12.17 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.296 0 CA-C-N 119.117 0.871 . . . . 0.0 113.343 -177.026 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' B' B ' 19' ' ' CYS . . . . . . . . . . . . . 13.3 t -113.89 -29.0 7.19 Favored 'General case' 0 CA--C 1.542 0.654 0 N-CA-C 114.783 1.401 . . . . 0.0 114.783 -167.844 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . -90.9 -66.2 1.18 Allowed Glycine 0 N--CA 1.474 1.184 0 C-N-CA 124.502 1.048 . . . . 0.0 112.207 -179.578 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 34.3 tp10 -80.29 -21.05 43.03 Favored 'General case' 0 CA--C 1.544 0.747 0 C-N-CA 126.204 1.801 . . . . 0.0 112.443 176.934 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 22' ' ' ARG . . . . . . . . . . . . . 25.4 mtp180 46.43 55.19 7.74 Favored 'General case' 0 CA--C 1.543 0.708 0 C-N-CA 127.823 2.449 . . . . 0.0 113.633 176.856 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . -82.2 -35.09 21.87 Favored Glycine 0 N--CA 1.472 1.067 0 C-N-CA 125.978 1.751 . . . . 0.0 114.18 -179.179 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 24' ' ' HIS . . . . . . . . . . . . . 93.0 m-70 57.4 -133.16 1.29 Allowed 'General case' 0 CA--C 1.554 1.12 0 C-N-CA 126.184 1.794 . . . . 0.0 114.277 177.659 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 25' ' ' PHE . . . . . . . . . . . . . 77.8 t80 -150.07 146.88 27.2 Favored 'General case' 0 CA--C 1.54 0.567 0 C-N-CA 126.549 1.939 . . . . 0.0 110.334 -179.306 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 26' ' ' TYR . . . . . . . . . . . . . 72.1 t80 -148.7 151.27 34.63 Favored 'General case' 0 CA--C 1.54 0.581 0 C-N-CA 125.531 1.532 . . . . 0.0 111.985 -176.729 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 27' ' ' THR . . . . . . . . . . . . . 18.8 p -127.29 124.14 23.58 Favored Pre-proline 0 N--CA 1.474 0.752 0 C-N-CA 125.894 1.677 . . . . 0.0 108.982 171.683 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 28' ' ' PRO . . . . . . . . . . . . . 66.7 Cg_endo -81.9 159.48 18.51 Favored 'Trans proline' 0 C--N 1.35 0.64 0 C-N-CA 123.16 2.573 . . . . 0.0 112.198 -172.714 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 7.1 ttpp -83.05 25.53 0.68 Allowed 'General case' 0 CA--C 1.554 1.108 0 C-N-CA 124.942 1.297 . . . . 0.0 113.705 -178.696 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 30' ' ' THR . . . . . . . . . . . . . 25.7 m . . . . . 0 C--O 1.253 1.256 0 C-N-CA 126.617 1.967 . . . . 0.0 112.501 -178.187 . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.479 1.533 0 CA-C-O 121.373 0.43 . . . . 0.0 112.603 . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 6.8 tp -71.47 -32.17 45.38 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.045 0 N-CA-C 114.126 1.158 . . . . 0.0 114.126 -173.265 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 60.1 t -61.93 -43.19 97.15 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.091 0 O-C-N 121.318 -0.864 . . . . 0.0 109.813 179.41 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 2.4 mp0 -69.39 -6.97 33.43 Favored 'General case' 0 CA--C 1.546 0.799 0 C-N-CA 124.858 1.263 . . . . 0.0 113.491 176.844 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 19.5 tp60 -106.28 -33.36 7.81 Favored 'General case' 0 CA--C 1.539 0.557 0 C-N-CA 124.44 1.096 . . . . 0.0 112.714 176.49 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -117.02 -20.19 9.44 Favored 'General case' 0 N--CA 1.479 0.983 0 N-CA-C 116.481 2.03 . . . . 0.0 116.481 -173.715 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 49.2 t -82.9 -34.86 26.54 Favored 'General case' 0 N--CA 1.478 0.973 0 O-C-N 121.093 -1.004 . . . . 0.0 113.589 175.632 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 6.2 t -78.37 -31.04 48.27 Favored 'General case' 0 N--CA 1.478 0.947 0 C-N-CA 125.045 1.338 . . . . 0.0 112.96 179.765 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 98.9 p -162.69 167.63 22.81 Favored 'General case' 0 CA--C 1.537 0.473 0 C-N-CA 127.158 2.183 . . . . 0.0 109.904 -174.989 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 21.3 mt -72.84 126.05 32.78 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.615 0 O-C-N 121.145 -0.972 . . . . 0.0 111.447 -170.775 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 9.1 p -102.35 142.76 33.04 Favored 'General case' 0 CA--C 1.539 0.523 0 C-N-CA 123.424 0.689 . . . . 0.0 111.276 165.41 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 11.6 p -82.54 160.33 22.62 Favored 'General case' 0 C--O 1.236 0.36 0 CA-C-O 122.131 0.967 . . . . 0.0 111.822 167.177 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 13' ' ' LEU . . . . . 0.473 ' H ' HD23 ' A' ' 13' ' ' LEU . 1.8 pt? -54.41 -39.73 67.57 Favored 'General case' 0 CA--C 1.531 0.224 0 C-N-CA 123.164 0.585 . . . . 0.0 111.893 174.649 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 12.4 p90 -72.1 -12.76 61.35 Favored 'General case' 0 C--O 1.233 0.221 0 N-CA-C 114.363 1.246 . . . . 0.0 114.363 -169.233 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 15.8 pt20 -110.09 -25.78 10.03 Favored 'General case' 0 CA--C 1.532 0.277 0 C-N-CA 123.914 0.886 . . . . 0.0 110.855 176.895 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 16' ' ' LEU . . . . . 0.584 HD11 HG21 ' B' ' 18' ' ' VAL . 0.3 OUTLIER -77.34 -27.42 52.75 Favored 'General case' 0 CA--C 1.546 0.807 0 CA-C-N 118.871 0.759 . . . . 0.0 111.674 176.856 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 29.8 mt-10 -50.99 -32.48 21.3 Favored 'General case' 0 N--CA 1.48 1.07 0 C-N-CA 124.889 1.275 . . . . 0.0 111.795 167.46 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 1.1 t-20 -64.44 -17.87 64.21 Favored 'General case' 0 CA--C 1.542 0.644 0 C-N-CA 124.809 1.243 . . . . 0.0 113.393 -176.675 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 82.3 m-85 -95.43 1.24 54.06 Favored 'General case' 0 CA--C 1.547 0.837 0 C-N-CA 126.485 1.914 . . . . 0.0 113.284 177.718 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 42.6 t -67.26 -33.02 74.45 Favored 'General case' 0 N--CA 1.474 0.726 0 C-N-CA 124.667 1.187 . . . . 0.0 113.288 176.913 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--O 1.252 1.203 0 C-N-CA 125.939 1.695 . . . . 0.0 113.013 177.128 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 1' ' ' PHE . . . . . . . . . . . . . 71.5 t80 . . . . . 0 N--CA 1.487 1.401 0 CA-C-O 119.832 -0.128 . . . . 0.0 110.849 . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' B' B ' 2' ' ' VAL . . . . . . . . . . . . . 85.3 t -130.59 124.68 57.49 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.864 0 C-N-CA 125.179 1.392 . . . . 0.0 108.198 170.131 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 3' ' ' ASN . . . . . . . . . . . . . 3.6 m-80 -67.06 111.03 3.64 Favored 'General case' 0 CA--C 1.541 0.627 0 C-N-CA 123.118 0.567 . . . . 0.0 109.77 170.514 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 4' ' ' GLN . . . . . . . . . . . . . 25.5 pt20 -161.2 175.91 11.83 Favored 'General case' 0 CA--C 1.536 0.411 0 C-N-CA 126.385 1.874 . . . . 0.0 109.877 -174.433 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 5' ' ' HIS . . . . . . . . . . . . . 76.7 m-70 -80.53 127.97 33.06 Favored 'General case' 0 CA--C 1.54 0.579 0 C-N-CA 123.356 0.662 . . . . 0.0 110.116 173.006 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 96.5 mt -129.52 132.49 46.88 Favored 'General case' 0 N--CA 1.468 0.451 0 C-N-CA 124.342 1.057 . . . . 0.0 110.84 -174.537 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 7' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -154.41 147.07 24.2 Favored 'General case' 0 N--CA 1.467 0.421 0 C-N-CA 123.831 0.852 . . . . 0.0 110.976 -177.589 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 8' ' ' GLY . . . . . . . . . . . . . . . 57.67 -126.47 42.33 Favored Glycine 0 CA--C 1.53 0.971 0 C-N-CA 123.796 0.712 . . . . 0.0 112.755 179.28 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 9' ' ' SER . . . . . . . . . . . . . 8.1 p -50.42 -42.54 54.01 Favored 'General case' 0 N--CA 1.471 0.597 0 C-N-CA 125.196 1.398 . . . . 0.0 113.262 176.045 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 10' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -64.8 -37.41 87.54 Favored 'General case' 0 CA--C 1.541 0.6 0 O-C-N 121.258 -0.901 . . . . 0.0 112.635 178.999 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 15.4 tp -72.35 -43.37 64.17 Favored 'General case' 0 CA--C 1.536 0.412 0 C-N-CA 124.025 0.93 . . . . 0.0 110.925 176.995 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 79.5 t -59.8 -42.9 90.46 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.959 0 C-N-CA 123.981 0.913 . . . . 0.0 111.168 173.614 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 18.8 mt-10 -60.6 -44.66 96.01 Favored 'General case' 0 N--CA 1.468 0.471 0 C-N-CA 123.927 0.891 . . . . 0.0 112.461 174.054 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -61.86 -48.8 78.91 Favored 'General case' 0 CA--C 1.534 0.342 0 CA-C-N 118.892 0.769 . . . . 0.0 111.669 175.885 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 4.1 mm? -58.0 -37.04 73.53 Favored 'General case' 0 N--CA 1.47 0.543 0 CA-C-N 118.784 0.72 . . . . 0.0 111.753 175.969 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 16' ' ' TYR . . . . . . . . . . . . . 80.4 t80 -58.49 -41.74 85.99 Favored 'General case' 0 CA--C 1.537 0.442 0 CA-C-N 120.479 1.491 . . . . 0.0 112.164 172.325 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 93.4 mt -71.48 -48.1 51.29 Favored 'General case' 0 CA--C 1.542 0.64 0 CA-C-O 118.904 -0.569 . . . . 0.0 112.43 179.875 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 18' ' ' VAL . . . . . 0.584 HG21 HD11 ' A' ' 16' ' ' LEU . 0.0 OUTLIER -82.51 -29.52 8.97 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.55 0 N-CA-C 113.722 1.008 . . . . 0.0 113.722 -175.725 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' B' B ' 19' ' ' CYS . . . . . . . . . . . . . 53.6 t -114.74 -44.43 3.06 Favored 'General case' 0 CA--C 1.54 0.59 0 C-N-CA 124.313 1.045 . . . . 0.0 113.308 -173.703 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . -77.2 -48.88 7.88 Favored Glycine 0 N--CA 1.476 1.303 0 C-N-CA 123.757 0.694 . . . . 0.0 113.951 -169.684 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 34.6 tt0 -66.57 -16.97 64.56 Favored 'General case' 0 CA--C 1.544 0.724 0 C-N-CA 125.377 1.471 . . . . 0.0 112.925 -178.416 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 22' ' ' ARG . . . . . . . . . . . . . 41.2 mmm-85 -61.31 -23.18 65.53 Favored 'General case' 0 CA--C 1.543 0.706 0 C-N-CA 125.082 1.353 . . . . 0.0 113.279 178.13 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . -91.21 25.65 14.0 Favored Glycine 0 N--CA 1.473 1.11 0 C-N-CA 125.903 1.716 . . . . 0.0 115.106 -178.776 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 24' ' ' HIS . . . . . . . . . . . . . 23.1 p80 -66.29 -24.64 66.59 Favored 'General case' 0 CA--C 1.551 0.984 0 N-CA-C 114.552 1.316 . . . . 0.0 114.552 -179.71 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 25' ' ' PHE . . . . . . . . . . . . . 64.9 t80 -73.11 151.47 41.59 Favored 'General case' 0 CA--C 1.542 0.653 0 C-N-CA 124.806 1.243 . . . . 0.0 112.426 -175.883 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 26' ' ' TYR . . . . . . . . . . . . . 59.5 t80 -67.13 150.44 49.15 Favored 'General case' 0 CA--C 1.544 0.739 0 N-CA-C 113.836 1.05 . . . . 0.0 113.836 -178.429 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 27' ' ' THR . . . . . . . . . . . . . 20.7 p -129.26 124.24 22.05 Favored Pre-proline 0 N--CA 1.475 0.781 0 C-N-CA 125.772 1.629 . . . . 0.0 109.233 171.964 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 28' ' ' PRO . . . . . . . . . . . . . 41.5 Cg_endo -83.74 49.75 2.97 Favored 'Trans proline' 0 CA--C 1.541 0.839 0 C-N-CA 124.296 3.331 . . . . 0.0 111.975 -175.448 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -155.26 117.01 4.07 Favored 'General case' 0 CA--C 1.544 0.728 0 C-N-CA 126.204 1.802 . . . . 0.0 109.983 -174.963 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 30' ' ' THR . . . . . . . . . . . . . 19.5 p . . . . . 0 N--CA 1.483 1.184 0 C-N-CA 125.683 1.593 . . . . 0.0 113.545 -177.979 . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.477 1.431 0 N-CA-C 111.721 -0.551 . . . . 0.0 111.721 . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 8.0 tp -64.3 -35.66 74.76 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.078 0 N-CA-C 113.733 1.012 . . . . 0.0 113.733 -174.313 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 84.0 t -63.76 -44.93 98.44 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.04 0 CA-C-N 119.131 0.878 . . . . 0.0 110.027 178.297 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 46.0 mp0 -71.87 -3.52 22.88 Favored 'General case' 0 CA--C 1.545 0.788 0 C-N-CA 124.719 1.208 . . . . 0.0 112.942 176.737 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 9.8 tp-100 -101.18 -55.72 2.48 Favored 'General case' 0 CA--C 1.538 0.482 0 C-N-CA 124.478 1.111 . . . . 0.0 110.921 172.29 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 2.6 t -99.63 -20.1 16.49 Favored 'General case' 0 N--CA 1.473 0.678 0 N-CA-C 115.468 1.655 . . . . 0.0 115.468 -167.932 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 34.2 t -81.11 -26.61 36.04 Favored 'General case' 0 N--CA 1.477 0.877 0 O-C-N 120.752 -1.217 . . . . 0.0 113.228 174.005 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 5.9 t -83.79 -32.97 25.07 Favored 'General case' 0 N--CA 1.475 0.808 0 C-N-CA 124.368 1.067 . . . . 0.0 112.918 178.12 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 94.1 p -154.55 170.95 20.26 Favored 'General case' 0 CA--C 1.545 0.767 0 C-N-CA 124.964 1.306 . . . . 0.0 112.48 -175.482 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 20.2 mm -57.19 133.17 21.81 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.959 0 O-C-N 121.102 -0.999 . . . . 0.0 110.967 179.862 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 2.6 p -126.7 161.75 27.4 Favored 'General case' 0 N--CA 1.472 0.669 0 N-CA-C 113.839 1.052 . . . . 0.0 113.839 165.669 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 51.5 m -117.57 155.28 30.08 Favored 'General case' 0 N--CA 1.47 0.559 0 C-N-CA 125.625 1.57 . . . . 0.0 112.505 -176.668 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 13' ' ' LEU . . . . . 0.555 ' H ' HD23 ' A' ' 13' ' ' LEU . 1.6 pt? -57.03 -42.68 80.87 Favored 'General case' 0 N--CA 1.463 0.215 0 C-N-CA 124.292 1.037 . . . . 0.0 112.164 -173.611 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 21.6 p90 -67.33 -12.21 59.6 Favored 'General case' 0 CA--C 1.536 0.429 0 C-N-CA 125.198 1.399 . . . . 0.0 114.718 -173.766 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 3.8 pt20 -118.69 -30.5 5.1 Favored 'General case' 0 CA--C 1.533 0.312 0 C-N-CA 124.362 1.065 . . . . 0.0 110.655 -178.335 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 16' ' ' LEU . . . . . 0.512 HD11 HG21 ' B' ' 18' ' ' VAL . 0.2 OUTLIER -69.46 -33.68 73.26 Favored 'General case' 0 CA--C 1.549 0.93 0 CA-C-N 119.048 0.84 . . . . 0.0 111.184 174.833 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 17.1 mt-10 -46.58 -39.31 10.84 Favored 'General case' 0 N--CA 1.48 1.042 0 C-N-CA 126.131 1.772 . . . . 0.0 112.107 169.202 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 1.3 t-20 -63.26 -18.33 63.44 Favored 'General case' 0 CA--C 1.54 0.58 0 C-N-CA 125.392 1.477 . . . . 0.0 113.955 -173.994 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 85.5 m-85 -91.46 -6.57 52.48 Favored 'General case' 0 CA--C 1.541 0.627 0 C-N-CA 125.772 1.629 . . . . 0.0 113.782 178.661 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 38.8 t -68.57 -32.63 72.68 Favored 'General case' 0 N--CA 1.474 0.767 0 N-CA-C 113.241 0.83 . . . . 0.0 113.241 -178.478 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--O 1.252 1.199 0 C-N-CA 125.644 1.577 . . . . 0.0 113.202 178.672 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 1' ' ' PHE . . . . . . . . . . . . . 53.2 t80 . . . . . 0 N--CA 1.486 1.348 0 CA-C-O 119.658 -0.211 . . . . 0.0 110.714 . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' B' B ' 2' ' ' VAL . . . . . . . . . . . . . 92.8 t -131.11 123.66 54.13 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.018 0 C-N-CA 124.916 1.286 . . . . 0.0 108.81 172.148 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 3' ' ' ASN . . . . . . . . . . . . . 5.8 m120 -67.05 111.57 3.93 Favored 'General case' 0 CA--C 1.541 0.628 0 C-N-CA 124.928 1.291 . . . . 0.0 109.402 177.377 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 4' ' ' GLN . . . . . . . . . . . . . 16.2 pt20 -157.17 179.29 9.42 Favored 'General case' 0 CA--C 1.536 0.423 0 O-C-N 121.591 -0.693 . . . . 0.0 112.4 -167.681 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 5' ' ' HIS . . . . . . . . . . . . . 72.1 m80 -83.87 132.46 34.79 Favored 'General case' 0 CA--C 1.543 0.694 0 C-N-CA 124.585 1.154 . . . . 0.0 110.154 167.742 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 91.8 mt -134.52 129.71 35.53 Favored 'General case' 0 N--CA 1.47 0.535 0 C-N-CA 124.503 1.121 . . . . 0.0 110.876 -176.144 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 7' ' ' CYS . . . . . . . . . . . . . 66.7 m -137.27 143.77 42.37 Favored 'General case' 0 N--CA 1.471 0.595 0 C-N-CA 125.092 1.357 . . . . 0.0 110.408 -178.925 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 8' ' ' GLY . . . . . . . . . . . . . . . 54.74 -122.69 26.17 Favored Glycine 0 N--CA 1.473 1.147 0 C-N-CA 124.148 0.88 . . . . 0.0 113.297 170.439 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 9' ' ' SER . . . . . . . . . . . . . 20.3 m -54.05 -39.71 66.48 Favored 'General case' 0 N--CA 1.469 0.51 0 C-N-CA 124.622 1.169 . . . . 0.0 112.84 178.318 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 10' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -64.69 -36.04 83.0 Favored 'General case' 0 CA--C 1.54 0.591 0 O-C-N 121.278 -0.889 . . . . 0.0 112.292 177.157 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 16.1 tp -74.24 -42.14 60.18 Favored 'General case' 0 CA--C 1.539 0.55 0 C-N-CA 124.664 1.186 . . . . 0.0 111.066 178.332 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 68.9 t -60.59 -43.32 94.38 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.08 0 C-N-CA 124.355 1.062 . . . . 0.0 111.36 171.331 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 20.7 mt-10 -57.65 -48.24 80.03 Favored 'General case' 0 N--CA 1.465 0.305 0 C-N-CA 123.482 0.713 . . . . 0.0 111.568 171.901 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 14' ' ' ALA . . . . . 0.564 ' O ' HG22 ' B' ' 18' ' ' VAL . . . -58.77 -48.22 81.99 Favored 'General case' 0 CA--C 1.534 0.335 0 CA-C-N 119.27 0.941 . . . . 0.0 112.189 177.807 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 3.8 mm? -55.38 -36.83 66.8 Favored 'General case' 0 N--CA 1.471 0.616 0 C-N-CA 123.535 0.734 . . . . 0.0 112.16 176.276 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 16' ' ' TYR . . . . . . . . . . . . . 81.7 t80 -63.27 -44.33 95.42 Favored 'General case' 0 CA--C 1.537 0.452 0 O-C-N 121.446 -0.784 . . . . 0.0 112.182 171.13 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 86.0 mt -65.06 -51.27 62.44 Favored 'General case' 0 N--CA 1.468 0.472 0 CA-C-N 119.203 0.91 . . . . 0.0 111.959 179.375 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 18' ' ' VAL . . . . . 0.564 HG22 ' O ' ' B' ' 14' ' ' ALA . 0.0 OUTLIER -71.03 -42.15 76.68 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.019 0 N-CA-C 112.853 0.686 . . . . 0.0 112.853 -176.939 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' B' B ' 19' ' ' CYS . . . . . . . . . . . . . 13.9 t -116.98 -33.35 4.76 Favored 'General case' 0 N--CA 1.473 0.693 0 N-CA-C 114.43 1.27 . . . . 0.0 114.43 -167.915 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . -76.38 -58.48 3.6 Favored Glycine 0 N--CA 1.472 1.094 0 C-N-CA 123.848 0.737 . . . . 0.0 112.172 -176.482 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 38.8 tt0 -75.37 -41.54 56.18 Favored 'General case' 0 CA--C 1.538 0.511 0 C-N-CA 125.47 1.508 . . . . 0.0 111.335 174.668 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 22' ' ' ARG . . . . . . . . . . . . . 5.6 ttp-105 58.45 32.59 22.28 Favored 'General case' 0 CA--C 1.545 0.776 0 C-N-CA 125.64 1.576 . . . . 0.0 115.078 171.798 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . 87.11 -179.22 48.35 Favored Glycine 0 N--CA 1.473 1.144 0 C-N-CA 125.834 1.683 . . . . 0.0 113.93 177.49 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 24' ' ' HIS . . . . . . . . . . . . . 28.7 p80 -67.06 -22.68 65.84 Favored 'General case' 0 CA--C 1.551 0.983 0 N-CA-C 113.912 1.078 . . . . 0.0 113.912 178.864 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 25' ' ' PHE . . . . . . . . . . . . . 85.5 t80 -161.71 135.73 6.74 Favored 'General case' 0 CA--C 1.536 0.432 0 C-N-CA 126.974 2.11 . . . . 0.0 109.791 178.121 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 26' ' ' TYR . . . . . . . . . . . . . 55.4 t80 -107.87 148.58 29.39 Favored 'General case' 0 CA--C 1.541 0.616 0 C-N-CA 124.548 1.139 . . . . 0.0 112.894 -178.987 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 27' ' ' THR . . . . . . . . . . . . . 20.5 p -125.32 116.2 25.44 Favored Pre-proline 0 N--CA 1.472 0.666 0 C-N-CA 126.041 1.736 . . . . 0.0 109.041 172.799 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 28' ' ' PRO . . . . . . . . . . . . . 93.9 Cg_endo -77.95 160.26 30.49 Favored 'Trans proline' 0 CA--C 1.537 0.63 0 C-N-CA 123.215 2.61 . . . . 0.0 111.723 -177.036 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 3.6 ttmp? -68.59 134.25 49.71 Favored 'General case' 0 CA--C 1.547 0.836 0 C-N-CA 123.76 0.824 . . . . 0.0 112.002 178.71 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 30' ' ' THR . . . . . . . . . . . . . 19.0 p . . . . . 0 C--O 1.253 1.275 0 C-N-CA 125.78 1.632 . . . . 0.0 113.398 179.022 . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.483 1.806 0 N-CA-C 112.041 -0.424 . . . . 0.0 112.041 . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 6.4 tp -61.51 -35.24 65.61 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.235 0 C-N-CA 124.772 1.229 . . . . 0.0 113.663 -171.952 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 87.3 t -63.14 -43.3 98.81 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.06 0 O-C-N 121.483 -0.76 . . . . 0.0 110.422 174.808 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 36.2 tt0 -73.58 -7.9 53.79 Favored 'General case' 0 CA--C 1.548 0.887 0 C-N-CA 124.015 0.926 . . . . 0.0 112.608 175.583 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 46.4 tp60 -93.9 -40.36 10.19 Favored 'General case' 0 CA--C 1.538 0.499 0 O-C-N 121.058 -1.027 . . . . 0.0 112.278 172.662 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -120.84 -17.68 7.84 Favored 'General case' 0 N--CA 1.479 1.012 0 N-CA-C 117.263 2.32 . . . . 0.0 117.263 -171.231 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 43.1 t -84.96 -38.02 19.8 Favored 'General case' 0 N--CA 1.481 1.083 0 O-C-N 120.789 -1.194 . . . . 0.0 113.48 176.284 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 6.1 t -74.12 -30.63 62.41 Favored 'General case' 0 N--CA 1.478 0.963 0 C-N-CA 124.751 1.221 . . . . 0.0 112.741 179.624 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 89.3 p -165.45 168.43 16.64 Favored 'General case' 0 CA--C 1.538 0.487 0 C-N-CA 127.393 2.277 . . . . 0.0 110.003 -175.119 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 17.2 mt -73.38 128.19 35.82 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.669 0 O-C-N 121.111 -0.993 . . . . 0.0 112.075 -170.303 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 14.6 p -99.47 170.17 8.8 Favored 'General case' 0 CA--C 1.54 0.579 0 C-N-CA 124.14 0.976 . . . . 0.0 112.935 170.07 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 66.6 m -116.12 153.82 31.08 Favored 'General case' 0 N--CA 1.468 0.443 0 C-N-CA 124.819 1.248 . . . . 0.0 111.746 171.555 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 13' ' ' LEU . . . . . 0.537 ' H ' HD23 ' A' ' 13' ' ' LEU . 1.6 pt? -54.66 -42.93 71.9 Favored 'General case' 0 N--CA 1.464 0.253 0 C-N-CA 124.141 0.977 . . . . 0.0 112.272 -175.722 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 29.8 p90 -67.34 -20.07 65.53 Favored 'General case' 0 CA--C 1.534 0.359 0 N-CA-C 113.582 0.956 . . . . 0.0 113.582 -173.261 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 3.4 pt20 -107.29 -23.89 12.08 Favored 'General case' 0 CA--C 1.532 0.271 0 C-N-CA 123.948 0.899 . . . . 0.0 111.065 179.815 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 16' ' ' LEU . . . . . 0.609 HD11 HG21 ' B' ' 18' ' ' VAL . 0.2 OUTLIER -75.95 -32.54 59.59 Favored 'General case' 0 CA--C 1.548 0.875 0 CA-C-N 119.308 0.958 . . . . 0.0 111.512 173.639 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 33.2 mt-10 -53.49 -36.34 61.58 Favored 'General case' 0 N--CA 1.481 1.087 0 C-N-CA 125.196 1.398 . . . . 0.0 111.628 171.18 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 7.6 m-80 -64.74 -11.9 41.32 Favored 'General case' 0 CA--C 1.547 0.842 0 C-N-CA 124.165 0.986 . . . . 0.0 113.58 -178.299 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 89.3 m-85 -92.5 -17.29 24.69 Favored 'General case' 0 CA--C 1.542 0.639 0 C-N-CA 124.936 1.294 . . . . 0.0 113.397 171.63 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 13.5 t -77.81 -31.63 51.83 Favored 'General case' 0 CA--C 1.542 0.653 0 C-N-CA 123.761 0.825 . . . . 0.0 111.842 167.81 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 11.6 m-80 . . . . . 0 C--O 1.253 1.257 0 C-N-CA 125.801 1.64 . . . . 0.0 112.722 179.416 . . . . . . . . 0 0 . 1 . 015 nuclear build full ' B' B ' 1' ' ' PHE . . . . . . . . . . . . . 80.4 t80 . . . . . 0 N--CA 1.487 1.382 0 CA-C-O 119.6 -0.238 . . . . 0.0 110.599 . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' B' B ' 2' ' ' VAL . . . . . . . . . . . . . 97.7 t -126.95 116.41 44.59 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.958 0 C-N-CA 124.748 1.219 . . . . 0.0 108.199 169.635 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 3' ' ' ASN . . . . . . . . . . . . . 9.1 m120 -66.25 114.24 5.19 Favored 'General case' 0 CA--C 1.539 0.556 0 C-N-CA 123.694 0.798 . . . . 0.0 109.908 173.328 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 4' ' ' GLN . . . . . . . . . . . . . 19.3 pt20 -160.9 -178.11 6.59 Favored 'General case' 0 CA--C 1.536 0.414 0 C-N-CA 125.82 1.648 . . . . 0.0 109.979 -173.277 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 5' ' ' HIS . . . . . . . . . . . . . 80.0 m-70 -85.89 125.09 33.07 Favored 'General case' 0 CA--C 1.541 0.602 0 C-N-CA 123.468 0.707 . . . . 0.0 110.06 172.235 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 95.7 mt -127.95 130.36 48.31 Favored 'General case' 0 N--CA 1.467 0.384 0 C-N-CA 124.795 1.238 . . . . 0.0 110.486 -175.05 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 7' ' ' CYS . . . . . . . . . . . . . 0.6 OUTLIER -149.94 147.39 27.83 Favored 'General case' 0 N--CA 1.468 0.475 0 C-N-CA 123.685 0.794 . . . . 0.0 111.453 -178.416 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 8' ' ' GLY . . . . . . . . . . . . . . . 55.55 -125.22 35.93 Favored Glycine 0 CA--C 1.53 0.983 0 C-N-CA 124.036 0.827 . . . . 0.0 112.519 178.287 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 9' ' ' SER . . . . . . . . . . . . . 20.2 m -53.5 -40.35 65.31 Favored 'General case' 0 N--CA 1.469 0.515 0 C-N-CA 124.498 1.119 . . . . 0.0 112.777 177.784 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 10' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -63.94 -36.93 85.57 Favored 'General case' 0 CA--C 1.543 0.684 0 O-C-N 121.23 -0.918 . . . . 0.0 112.462 178.5 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 17.5 tp -72.16 -44.85 62.43 Favored 'General case' 0 CA--C 1.536 0.421 0 C-N-CA 124.697 1.199 . . . . 0.0 110.652 177.812 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 72.4 t -59.6 -43.6 91.43 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.05 0 C-N-CA 124.003 0.921 . . . . 0.0 111.294 173.183 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 23.3 mt-10 -59.2 -44.93 92.23 Favored 'General case' 0 N--CA 1.467 0.382 0 C-N-CA 124.142 0.977 . . . . 0.0 112.242 174.071 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 14' ' ' ALA . . . . . 0.432 ' O ' HG23 ' B' ' 18' ' ' VAL . . . -61.8 -49.79 74.92 Favored 'General case' 0 N--CA 1.454 -0.267 0 CA-C-N 119.15 0.886 . . . . 0.0 111.15 176.975 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 3.8 mm? -52.67 -41.08 63.51 Favored 'General case' 0 N--CA 1.472 0.627 0 C-N-CA 123.681 0.793 . . . . 0.0 112.156 177.358 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 16' ' ' TYR . . . . . . . . . . . . . 81.8 t80 -60.47 -46.37 90.35 Favored 'General case' 0 CA--C 1.536 0.415 0 O-C-N 121.853 -0.529 . . . . 0.0 112.146 172.732 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 96.0 mt -66.41 -45.49 79.76 Favored 'General case' 0 CA--C 1.537 0.45 0 CA-C-N 118.829 0.74 . . . . 0.0 112.626 179.554 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 18' ' ' VAL . . . . . 0.609 HG21 HD11 ' A' ' 16' ' ' LEU . 0.1 OUTLIER -74.37 -42.23 50.11 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.236 0 CA-C-N 118.882 0.764 . . . . 0.0 111.183 -176.229 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' B' B ' 19' ' ' CYS . . . . . . . . . . . . . 21.2 t -110.23 -41.91 4.29 Favored 'General case' 0 CA--C 1.537 0.455 0 N-CA-C 114.279 1.214 . . . . 0.0 114.279 -167.268 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . -81.07 -61.6 2.1 Favored Glycine 0 N--CA 1.474 1.175 0 C-N-CA 123.997 0.808 . . . . 0.0 112.284 -170.957 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 7.5 tp10 -74.49 -31.96 62.37 Favored 'General case' 0 CA--C 1.54 0.584 0 C-N-CA 125.93 1.692 . . . . 0.0 111.376 171.455 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 22' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 59.63 21.29 9.92 Favored 'General case' 0 CA--C 1.547 0.864 0 C-N-CA 125.568 1.547 . . . . 0.0 113.061 -174.092 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . -119.74 35.44 3.84 Favored Glycine 0 N--CA 1.47 0.922 0 C-N-CA 127.124 2.297 . . . . 0.0 114.022 -170.968 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 24' ' ' HIS . . . . . . . . . . . . . 34.5 p80 -61.98 -13.79 28.94 Favored 'General case' 0 CA--C 1.551 0.987 0 N-CA-C 115.195 1.554 . . . . 0.0 115.195 -179.718 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 25' ' ' PHE . . . . . . . . . . . . . 89.5 t80 -87.2 108.27 18.85 Favored 'General case' 0 CA--C 1.538 0.491 0 C-N-CA 124.631 1.172 . . . . 0.0 110.145 170.777 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 26' ' ' TYR . . . . . . . . . . . . . 7.0 t80 -84.34 147.34 27.23 Favored 'General case' 0 CA--C 1.542 0.645 0 C-N-CA 123.81 0.844 . . . . 0.0 111.742 176.362 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 27' ' ' THR . . . . . 0.554 ' H ' ' HA ' ' B' ' 28' ' ' PRO . 6.0 t -152.9 -13.82 0.0 OUTLIER Pre-proline 0 CA--C 1.554 1.104 0 N-CA-C 118.061 2.615 . . . . 0.0 118.061 -175.319 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 28' ' ' PRO . . . . . 0.554 ' HA ' ' H ' ' B' ' 27' ' ' THR . 86.8 Cg_endo -74.06 153.84 99.34 Favored 'Cis proline' 0 C--N 1.36 1.172 0 CA-C-N 124.78 2.743 . . . . 0.0 113.303 0.283 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 16.1 tppt? -75.96 126.05 30.26 Favored 'General case' 0 CA--C 1.545 0.755 0 C-N-CA 123.214 0.606 . . . . 0.0 110.789 173.208 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 30' ' ' THR . . . . . . . . . . . . . 14.0 t . . . . . 0 C--O 1.253 1.248 0 C-N-CA 126.552 1.941 . . . . 0.0 111.603 -175.457 . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.662 0 CA-C-O 121.146 0.303 . . . . 0.0 112.931 . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 9.9 tp -68.51 -41.29 83.02 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.237 0 C-N-CA 125.082 1.353 . . . . 0.0 113.589 -173.438 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 77.4 t -63.55 -44.12 98.55 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.265 0 C-N-CA 124.196 0.998 . . . . 0.0 111.086 -176.281 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 17.3 pt-20 -74.45 5.08 5.02 Favored 'General case' 0 CA--C 1.545 0.784 0 N-CA-C 113.574 0.953 . . . . 0.0 113.574 176.843 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -101.48 -62.85 1.2 Allowed 'General case' 0 CA--C 1.54 0.582 0 CA-C-N 118.816 0.734 . . . . 0.0 109.355 157.704 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 38.5 m -79.32 -32.06 43.29 Favored 'General case' 0 N--CA 1.472 0.628 0 N-CA-C 115.235 1.568 . . . . 0.0 115.235 -163.581 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 12.2 t -73.63 -20.68 60.52 Favored 'General case' 0 N--CA 1.472 0.66 0 O-C-N 121.472 -0.767 . . . . 0.0 112.908 177.803 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 9.7 t -105.63 -31.23 9.02 Favored 'General case' 0 N--CA 1.473 0.686 0 C-N-CA 125.288 1.435 . . . . 0.0 113.121 -178.32 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 22.8 m -144.31 172.49 12.85 Favored 'General case' 0 CA--C 1.548 0.895 0 C-N-CA 125.544 1.538 . . . . 0.0 112.984 -175.835 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 21.3 mm -60.31 131.99 25.38 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.964 0 O-C-N 120.673 -1.267 . . . . 0.0 111.021 178.309 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 2.9 m -112.97 155.02 25.5 Favored 'General case' 0 N--CA 1.468 0.432 0 C-N-CA 125.438 1.495 . . . . 0.0 112.346 166.123 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 47.2 m -137.42 151.31 48.39 Favored 'General case' 0 C--O 1.236 0.343 0 C-N-CA 125.91 1.684 . . . . 0.0 110.277 -177.585 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 13' ' ' LEU . . . . . 0.528 ' H ' HD23 ' A' ' 13' ' ' LEU . 1.7 pt? -56.67 -38.71 72.6 Favored 'General case' 0 N--CA 1.464 0.23 0 C-N-CA 123.83 0.852 . . . . 0.0 112.339 -170.803 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 24.1 p90 -68.67 -12.6 61.59 Favored 'General case' 0 CA--C 1.534 0.364 0 C-N-CA 125.242 1.417 . . . . 0.0 114.389 -175.53 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 3.8 pt20 -119.08 -30.03 5.09 Favored 'General case' 0 C--O 1.222 -0.344 0 C-N-CA 123.37 0.668 . . . . 0.0 111.256 178.541 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 16' ' ' LEU . . . . . 0.597 HD11 HG21 ' B' ' 18' ' ' VAL . 0.2 OUTLIER -74.04 -30.65 62.52 Favored 'General case' 0 CA--C 1.548 0.868 0 CA-C-N 119.542 1.064 . . . . 0.0 111.4 -177.827 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 23.8 mt-10 -53.16 -29.77 33.4 Favored 'General case' 0 N--CA 1.479 0.982 0 C-N-CA 124.715 1.206 . . . . 0.0 112.796 169.895 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 78.6 m-20 -62.95 -22.21 66.63 Favored 'General case' 0 CA--C 1.539 0.532 0 C-N-CA 123.791 0.836 . . . . 0.0 112.616 -177.799 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 63.5 m-85 -92.08 -11.51 35.58 Favored 'General case' 0 CA--C 1.543 0.709 0 C-N-CA 125.886 1.674 . . . . 0.0 112.8 178.622 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 12.3 t -81.18 -29.11 34.7 Favored 'General case' 0 N--CA 1.473 0.702 0 C-N-CA 123.579 0.752 . . . . 0.0 111.828 165.915 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 12.6 m-80 . . . . . 0 C--O 1.254 1.336 0 C-N-CA 125.683 1.593 . . . . 0.0 112.844 179.453 . . . . . . . . 0 0 . 1 . 016 nuclear build full ' B' B ' 1' ' ' PHE . . . . . . . . . . . . . 38.7 t80 . . . . . 0 N--CA 1.487 1.417 0 CA-C-O 119.887 -0.101 . . . . 0.0 110.738 . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' B' B ' 2' ' ' VAL . . . . . . . . . . . . . 3.3 p -138.77 123.41 21.4 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.945 0 C-N-CA 125.183 1.393 . . . . 0.0 110.191 173.773 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 3' ' ' ASN . . . . . . . . . . . . . 72.9 m-20 -78.8 118.03 20.47 Favored 'General case' 0 CA--C 1.537 0.443 0 N-CA-C 109.164 -0.68 . . . . 0.0 109.164 173.88 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 4' ' ' GLN . . . . . . . . . . . . . 13.2 pt20 -165.93 -178.13 4.58 Favored 'General case' 0 CA--C 1.537 0.453 0 C-N-CA 124.202 1.001 . . . . 0.0 111.818 -171.609 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 5' ' ' HIS . . . . . . . . . . . . . 74.6 m80 -77.66 137.98 38.83 Favored 'General case' 0 CA--C 1.544 0.728 0 C-N-CA 124.366 1.067 . . . . 0.0 109.882 167.484 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 80.1 mt -143.76 133.32 23.56 Favored 'General case' 0 N--CA 1.472 0.627 0 C-N-CA 124.716 1.206 . . . . 0.0 110.631 -172.916 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 7' ' ' CYS . . . . . . . . . . . . . 2.6 t -155.42 147.71 23.78 Favored 'General case' 0 N--CA 1.47 0.527 0 C-N-CA 123.56 0.744 . . . . 0.0 111.458 179.233 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 8' ' ' GLY . . . . . . . . . . . . . . . 59.99 -129.04 47.5 Favored Glycine 0 CA--C 1.53 1.03 0 C-N-CA 123.808 0.718 . . . . 0.0 112.26 -179.201 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 9' ' ' SER . . . . . . . . . . . . . 20.3 m -54.8 -36.55 65.06 Favored 'General case' 0 N--CA 1.47 0.539 0 C-N-CA 124.566 1.146 . . . . 0.0 112.998 179.131 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 10' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -64.27 -37.85 88.95 Favored 'General case' 0 N--CA 1.472 0.662 0 O-C-N 121.289 -0.882 . . . . 0.0 112.322 176.337 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 15.8 tp -73.68 -43.28 59.77 Favored 'General case' 0 CA--C 1.535 0.381 0 C-N-CA 124.387 1.075 . . . . 0.0 111.212 178.085 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 74.5 t -59.23 -42.74 87.93 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.022 0 C-N-CA 123.988 0.915 . . . . 0.0 110.983 173.04 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 17.7 mm-40 -60.8 -50.5 73.21 Favored 'General case' 0 N--CA 1.464 0.266 0 CA-C-O 118.273 -0.87 . . . . 0.0 111.57 171.569 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 14' ' ' ALA . . . . . 0.583 ' O ' HG22 ' B' ' 18' ' ' VAL . . . -54.7 -48.97 71.81 Favored 'General case' 0 CA--C 1.534 0.35 0 CA-C-N 120.317 1.417 . . . . 0.0 111.917 179.778 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 4.2 mm? -56.25 -37.24 69.49 Favored 'General case' 0 N--CA 1.471 0.609 0 C-N-CA 123.647 0.779 . . . . 0.0 112.175 174.898 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 16' ' ' TYR . . . . . . . . . . . . . 84.7 t80 -63.12 -45.25 92.86 Favored 'General case' 0 CA--C 1.539 0.543 0 CA-C-N 119.109 0.868 . . . . 0.0 112.413 169.886 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 91.1 mt -66.95 -45.71 76.95 Favored 'General case' 0 CA--C 1.535 0.402 0 O-C-N 121.55 -0.719 . . . . 0.0 112.853 -176.632 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 18' ' ' VAL . . . . . 0.597 HG21 HD11 ' A' ' 16' ' ' LEU . 0.0 OUTLIER -70.28 -48.46 60.82 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.073 0 C-N-CA 122.939 0.496 . . . . 0.0 111.847 176.018 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' B' B ' 19' ' ' CYS . . . . . . . . . . . . . 7.9 t -120.83 -39.92 2.68 Favored 'General case' 0 N--CA 1.469 0.512 0 N-CA-C 114.26 1.207 . . . . 0.0 114.26 -163.41 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . -75.64 -30.34 58.22 Favored Glycine 0 N--CA 1.475 1.257 0 O-C-N 121.17 -0.956 . . . . 0.0 113.753 -168.343 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 36.5 tt0 -67.05 -32.64 73.97 Favored 'General case' 0 CA--C 1.544 0.712 0 C-N-CA 124.892 1.277 . . . . 0.0 111.593 173.041 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 22' ' ' ARG . . . . . . . . . . . . . 31.0 mtm105 -80.23 -42.63 22.89 Favored 'General case' 0 N--CA 1.471 0.578 0 C-N-CA 124.165 0.986 . . . . 0.0 112.643 175.051 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . 89.09 -168.27 35.24 Favored Glycine 0 CA--C 1.532 1.154 0 C-N-CA 124.994 1.283 . . . . 0.0 111.649 -162.45 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 24' ' ' HIS . . . . . . . . . . . . . 30.2 p80 -64.91 -19.29 65.85 Favored 'General case' 0 CA--C 1.552 1.028 0 N-CA-C 114.818 1.414 . . . . 0.0 114.818 -177.63 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 25' ' ' PHE . . . . . . . . . . . . . 55.3 t80 -112.68 163.71 14.22 Favored 'General case' 0 CA--C 1.544 0.714 0 C-N-CA 126.46 1.904 . . . . 0.0 111.726 -178.028 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 26' ' ' TYR . . . . . . . . . . . . . 60.3 t80 -68.11 153.25 44.13 Favored 'General case' 0 CA--C 1.545 0.765 0 O-C-N 121.186 -0.946 . . . . 0.0 112.757 173.849 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 27' ' ' THR . . . . . . . . . . . . . 22.0 p -126.97 112.86 21.94 Favored Pre-proline 0 N--CA 1.472 0.647 0 C-N-CA 124.875 1.27 . . . . 0.0 109.506 176.521 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 28' ' ' PRO . . . . . . . . . . . . . 86.0 Cg_endo -75.1 156.37 42.53 Favored 'Trans proline' 0 C--N 1.35 0.645 0 C-N-CA 123.26 2.64 . . . . 0.0 111.56 -176.586 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 30.0 mmtp -93.99 155.95 16.86 Favored 'General case' 0 CA--C 1.545 0.752 0 C-N-CA 124.165 0.986 . . . . 0.0 113.313 -168.329 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 30' ' ' THR . . . . . . . . . . . . . 86.8 m . . . . . 0 N--CA 1.484 1.225 0 C-N-CA 125.273 1.429 . . . . 0.0 111.228 176.96 . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.479 1.56 0 CA-C-O 121.447 0.471 . . . . 0.0 112.838 . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 9.0 tp -71.13 -39.15 73.58 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.081 0 C-N-CA 125.672 1.589 . . . . 0.0 114.45 -170.721 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 74.8 t -68.09 -47.71 77.43 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.089 0 CA-C-N 118.916 0.78 . . . . 0.0 110.501 -173.779 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 12.6 pm0 -70.25 9.13 0.63 Allowed 'General case' 0 CA--C 1.547 0.838 0 C-N-CA 124.638 1.175 . . . . 0.0 113.648 175.942 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 23.9 mm-40 -114.1 -64.98 1.23 Allowed 'General case' 0 CA--C 1.537 0.48 0 C-N-CA 124.805 1.242 . . . . 0.0 110.078 164.787 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 68.7 m -71.0 -32.84 69.76 Favored 'General case' 0 N--CA 1.474 0.751 0 N-CA-C 115.117 1.525 . . . . 0.0 115.117 -173.201 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 26.6 t -74.89 -28.46 60.65 Favored 'General case' 0 N--CA 1.477 0.886 0 O-C-N 121.127 -0.983 . . . . 0.0 113.344 179.637 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 6.9 t -99.5 -21.52 15.9 Favored 'General case' 0 N--CA 1.476 0.841 0 C-N-CA 125.088 1.355 . . . . 0.0 113.357 -177.738 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 94.5 p -156.02 169.43 24.48 Favored 'General case' 0 N--CA 1.468 0.468 0 C-N-CA 124.609 1.164 . . . . 0.0 112.605 -177.34 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 11.6 mt -76.02 122.59 30.4 Favored 'Isoleucine or valine' 0 C--O 1.234 0.258 0 O-C-N 121.388 -0.82 . . . . 0.0 111.254 -177.481 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 29.9 p -109.96 144.07 39.01 Favored 'General case' 0 CA--C 1.537 0.471 0 C-N-CA 125.219 1.408 . . . . 0.0 110.987 175.309 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 42.4 m -93.87 151.47 19.56 Favored 'General case' 0 N--CA 1.471 0.59 0 C-N-CA 123.597 0.759 . . . . 0.0 111.951 179.845 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 13' ' ' LEU . . . . . 0.478 ' H ' HD23 ' A' ' 13' ' ' LEU . 1.8 pt? -58.79 -39.58 81.51 Favored 'General case' 0 CA--C 1.531 0.231 0 O-C-N 121.305 -0.872 . . . . 0.0 111.967 -174.318 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 19.1 p90 -69.08 -12.56 61.8 Favored 'General case' 0 CA--C 1.536 0.416 0 C-N-CA 125.043 1.337 . . . . 0.0 114.264 -175.313 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 3.9 pt20 -114.84 -27.6 7.36 Favored 'General case' 0 CA--C 1.532 0.266 0 C-N-CA 124.064 0.946 . . . . 0.0 110.899 178.833 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -71.54 -29.59 64.93 Favored 'General case' 0 CA--C 1.547 0.848 0 CA-C-N 119.385 0.993 . . . . 0.0 111.795 176.917 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 33.7 mt-10 -49.7 -38.72 34.16 Favored 'General case' 0 N--CA 1.481 1.089 0 C-N-CA 124.607 1.163 . . . . 0.0 111.646 168.842 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 1.3 t-20 -62.65 -19.22 63.59 Favored 'General case' 0 CA--C 1.541 0.606 0 C-N-CA 125.155 1.382 . . . . 0.0 113.994 -172.927 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 73.0 m-85 -90.03 -9.2 49.45 Favored 'General case' 0 CA--C 1.543 0.708 0 C-N-CA 125.594 1.558 . . . . 0.0 113.577 177.948 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 36.3 t -69.2 -31.73 70.53 Favored 'General case' 0 N--CA 1.473 0.696 0 N-CA-C 113.368 0.877 . . . . 0.0 113.368 -176.2 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--O 1.252 1.21 0 C-N-CA 125.873 1.669 . . . . 0.0 113.135 178.736 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 1' ' ' PHE . . . . . . . . . . . . . 49.8 t80 . . . . . 0 N--CA 1.487 1.405 0 N-CA-C 110.657 -0.127 . . . . 0.0 110.657 . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' B' B ' 2' ' ' VAL . . . . . . . . . . . . . 11.1 p -144.45 134.56 19.95 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.837 0 C-N-CA 124.88 1.272 . . . . 0.0 108.914 164.764 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 3' ' ' ASN . . . . . . . . . . . . . 9.5 m120 -63.32 111.71 2.39 Favored 'General case' 0 CA--C 1.54 0.576 0 C-N-CA 123.414 0.686 . . . . 0.0 109.554 175.548 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 4' ' ' GLN . . . . . . . . . . . . . 25.1 pt20 -155.4 179.98 8.65 Favored 'General case' 0 CA--C 1.535 0.381 0 C-N-CA 124.952 1.301 . . . . 0.0 110.961 -170.98 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 5' ' ' HIS . . . . . . . . . . . . . 76.7 m-70 -85.79 132.94 34.02 Favored 'General case' 0 CA--C 1.542 0.661 0 C-N-CA 124.119 0.968 . . . . 0.0 110.29 171.632 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 96.0 mt -133.03 129.57 38.27 Favored 'General case' 0 N--CA 1.469 0.496 0 C-N-CA 124.519 1.128 . . . . 0.0 110.635 -174.649 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 7' ' ' CYS . . . . . . . . . . . . . 2.8 t -154.32 146.22 23.5 Favored 'General case' 0 N--CA 1.468 0.442 0 C-N-CA 123.408 0.683 . . . . 0.0 111.606 -179.297 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 8' ' ' GLY . . . . . . . . . . . . . . . 58.62 -126.79 43.55 Favored Glycine 0 CA--C 1.529 0.966 0 C-N-CA 123.913 0.768 . . . . 0.0 112.159 -179.388 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 9' ' ' SER . . . . . . . . . . . . . 20.2 m -53.54 -40.04 65.17 Favored 'General case' 0 N--CA 1.469 0.507 0 C-N-CA 124.538 1.135 . . . . 0.0 112.675 178.005 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 10' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -62.79 -38.0 88.92 Favored 'General case' 0 N--CA 1.472 0.643 0 O-C-N 121.157 -0.964 . . . . 0.0 112.499 177.829 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 16.4 tp -71.93 -44.18 64.06 Favored 'General case' 0 CA--C 1.535 0.384 0 C-N-CA 124.282 1.033 . . . . 0.0 110.883 177.99 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 74.8 t -59.6 -43.68 91.6 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.028 0 C-N-CA 123.973 0.909 . . . . 0.0 111.148 173.567 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 24.5 mt-10 -59.58 -46.57 88.54 Favored 'General case' 0 N--CA 1.465 0.313 0 C-N-CA 124.151 0.981 . . . . 0.0 112.029 173.817 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -61.38 -48.75 79.85 Favored 'General case' 0 CA--C 1.531 0.249 0 CA-C-N 119.298 0.954 . . . . 0.0 111.684 177.47 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 3.8 mm? -55.77 -38.26 69.63 Favored 'General case' 0 N--CA 1.469 0.506 0 CA-C-N 118.906 0.775 . . . . 0.0 111.963 176.509 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 16' ' ' TYR . . . . . . . . . . . . . 88.1 t80 -61.18 -43.51 98.76 Favored 'General case' 0 CA--C 1.537 0.472 0 CA-C-N 119.486 1.039 . . . . 0.0 112.439 171.561 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 95.8 mt -69.42 -47.72 63.22 Favored 'General case' 0 CA--C 1.536 0.409 0 O-C-N 121.63 -0.669 . . . . 0.0 112.685 -178.739 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 18' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -78.79 -35.41 18.18 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.28 0 CA-C-N 118.722 0.692 . . . . 0.0 112.754 -177.279 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 19' ' ' CYS . . . . . . . . . . . . . 22.1 t -115.42 -45.58 2.91 Favored 'General case' 0 CA--C 1.538 0.506 0 N-CA-C 113.326 0.862 . . . . 0.0 113.326 -172.909 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . -66.57 -40.56 94.2 Favored Glycine 0 N--CA 1.474 1.175 0 O-C-N 121.412 -0.805 . . . . 0.0 113.649 -170.951 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 41.8 tt0 -52.86 -31.72 40.89 Favored 'General case' 0 CA--C 1.543 0.678 0 C-N-CA 127.158 2.183 . . . . 0.0 112.555 171.66 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 22' ' ' ARG . . . . . . . . . . . . . 12.0 mmt85 -84.82 5.68 27.66 Favored 'General case' 0 CA--C 1.544 0.72 0 C-N-CA 125.69 1.596 . . . . 0.0 113.15 -175.534 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . 121.11 -21.53 8.23 Favored Glycine 0 N--CA 1.473 1.138 0 C-N-CA 126.346 1.926 . . . . 0.0 114.84 175.507 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 24' ' ' HIS . . . . . . . . . . . . . 94.0 m-70 -68.35 -15.71 63.66 Favored 'General case' 0 CA--C 1.547 0.846 0 N-CA-C 114.546 1.313 . . . . 0.0 114.546 -174.933 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 25' ' ' PHE . . . . . . . . . . . . . 49.0 m-85 -130.75 49.07 2.35 Favored 'General case' 0 N--CA 1.469 0.517 0 C-N-CA 124.931 1.292 . . . . 0.0 112.259 168.192 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 26' ' ' TYR . . . . . . . . . . . . . 38.6 t80 -101.79 142.0 33.79 Favored 'General case' 0 C--O 1.237 0.441 0 CA-C-N 114.267 -1.333 . . . . 0.0 109.68 148.146 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 27' ' ' THR . . . . . 0.523 ' H ' ' HA ' ' B' ' 28' ' ' PRO . 0.3 OUTLIER -133.35 -37.62 0.03 OUTLIER Pre-proline 0 N--CA 1.471 0.591 0 N-CA-C 117.075 2.25 . . . . 0.0 117.075 -157.974 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' B' B ' 28' ' ' PRO . . . . . 0.523 ' HA ' ' H ' ' B' ' 27' ' ' THR . 97.7 Cg_endo -67.5 145.9 75.16 Favored 'Cis proline' 0 C--N 1.353 0.789 0 CA-C-N 123.378 2.242 . . . . 0.0 112.7 3.565 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 20.3 ttpp -74.35 145.74 43.61 Favored 'General case' 0 CA--C 1.546 0.821 0 CA-C-N 115.251 -0.886 . . . . 0.0 112.824 -169.929 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 30' ' ' THR . . . . . . . . . . . . . 19.1 p . . . . . 0 C--O 1.254 1.334 0 C-N-CA 125.411 1.484 . . . . 0.0 112.778 168.336 . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.699 0 CA-C-O 121.093 0.274 . . . . 0.0 112.769 . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 8.2 tp -69.69 -41.35 80.04 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.137 0 C-N-CA 124.703 1.201 . . . . 0.0 114.039 -174.294 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 90.2 t -62.16 -45.75 98.03 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.194 0 O-C-N 121.371 -0.83 . . . . 0.0 110.696 -175.064 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 15.9 pt-20 -71.69 3.5 4.0 Favored 'General case' 0 CA--C 1.545 0.787 0 N-CA-C 113.886 1.069 . . . . 0.0 113.886 177.725 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 22.2 mm-40 -120.01 -25.15 5.86 Favored 'General case' 0 CA--C 1.541 0.614 0 C-N-CA 124.263 1.025 . . . . 0.0 113.531 174.914 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 53.1 m -107.26 -29.38 9.35 Favored 'General case' 0 N--CA 1.478 0.973 0 N-CA-C 115.49 1.663 . . . . 0.0 115.49 176.387 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 48.8 t -81.67 -37.81 26.87 Favored 'General case' 0 N--CA 1.479 0.983 0 N-CA-C 113.928 1.084 . . . . 0.0 113.928 -177.865 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 9.6 t -80.09 -29.35 39.06 Favored 'General case' 0 N--CA 1.48 1.031 0 C-N-CA 124.897 1.279 . . . . 0.0 113.071 -178.348 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 94.0 p -160.35 167.43 27.42 Favored 'General case' 0 CA--C 1.536 0.436 0 C-N-CA 126.171 1.788 . . . . 0.0 110.752 -175.652 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 14.0 mt -72.81 129.14 36.02 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.515 0 O-C-N 121.568 -0.707 . . . . 0.0 111.952 -170.666 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 30.8 p -108.86 168.31 9.45 Favored 'General case' 0 CA--C 1.54 0.588 0 C-N-CA 125.302 1.441 . . . . 0.0 112.115 173.246 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 59.0 m -122.4 149.06 44.33 Favored 'General case' 0 N--CA 1.467 0.406 0 C-N-CA 124.189 0.995 . . . . 0.0 111.581 -177.25 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 13' ' ' LEU . . . . . 0.467 ' H ' HD23 ' A' ' 13' ' ' LEU . 2.0 pt? -55.88 -41.32 74.25 Favored 'General case' 0 N--CA 1.464 0.23 0 C-N-CA 124.067 0.947 . . . . 0.0 111.833 -173.14 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 14.9 p90 -67.12 -13.14 61.66 Favored 'General case' 0 CA--C 1.535 0.393 0 C-N-CA 125.139 1.376 . . . . 0.0 114.399 -175.075 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 14.6 pt20 -117.59 -28.59 6.0 Favored 'General case' 0 CA--C 1.532 0.276 0 C-N-CA 123.72 0.808 . . . . 0.0 111.181 178.778 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -70.61 -30.78 67.54 Favored 'General case' 0 CA--C 1.548 0.881 0 CA-C-N 119.302 0.955 . . . . 0.0 111.779 176.478 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 26.2 mt-10 -48.51 -39.52 23.53 Favored 'General case' 0 N--CA 1.481 1.095 0 C-N-CA 124.785 1.234 . . . . 0.0 111.649 169.924 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 1.7 t-20 -59.31 -28.32 66.68 Favored 'General case' 0 CA--C 1.542 0.644 0 C-N-CA 124.741 1.216 . . . . 0.0 113.441 -172.68 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 76.0 m-85 -80.16 -9.58 59.72 Favored 'General case' 0 CA--C 1.543 0.683 0 C-N-CA 125.495 1.518 . . . . 0.0 113.352 -179.15 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 12.6 t -71.47 -25.59 62.35 Favored 'General case' 0 CA--C 1.542 0.662 0 C-N-CA 123.76 0.824 . . . . 0.0 113.18 176.043 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 C--O 1.254 1.3 0 C-N-CA 125.801 1.64 . . . . 0.0 111.914 178.678 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 1' ' ' PHE . . . . . . . . . . . . . 68.9 t80 . . . . . 0 N--CA 1.487 1.39 0 CA-C-O 119.807 -0.14 . . . . 0.0 110.723 . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' B' B ' 2' ' ' VAL . . . . . . . . . . . . . 90.9 t -132.12 122.44 48.68 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.93 0 C-N-CA 124.976 1.31 . . . . 0.0 108.348 170.192 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 3' ' ' ASN . . . . . . . . . . . . . 10.3 m120 -64.62 115.83 5.6 Favored 'General case' 0 CA--C 1.539 0.534 0 C-N-CA 123.665 0.786 . . . . 0.0 109.983 172.206 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 4' ' ' GLN . . . . . . . . . . . . . 13.4 pt20 -160.06 -179.97 8.23 Favored 'General case' 0 CA--C 1.536 0.429 0 C-N-CA 125.277 1.431 . . . . 0.0 110.439 -171.119 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 5' ' ' HIS . . . . . . . . . . . . . 75.6 m-70 -84.29 124.97 31.81 Favored 'General case' 0 CA--C 1.542 0.641 0 C-N-CA 123.696 0.798 . . . . 0.0 109.944 171.256 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 96.5 mt -126.22 129.56 49.2 Favored 'General case' 0 N--CA 1.468 0.464 0 C-N-CA 124.606 1.162 . . . . 0.0 110.538 -175.217 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 7' ' ' CYS . . . . . . . . . . . . . 1.3 t -152.75 146.25 24.95 Favored 'General case' 0 N--CA 1.468 0.428 0 C-N-CA 123.595 0.758 . . . . 0.0 111.324 -177.576 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 8' ' ' GLY . . . . . . . . . . . . . . . 57.01 -125.94 40.48 Favored Glycine 0 CA--C 1.529 0.944 0 C-N-CA 123.944 0.783 . . . . 0.0 112.705 179.143 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 9' ' ' SER . . . . . . . . . . . . . 8.7 t -55.4 -39.3 70.02 Favored 'General case' 0 N--CA 1.472 0.659 0 C-N-CA 123.88 0.872 . . . . 0.0 112.53 178.761 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 10' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -62.52 -37.26 85.37 Favored 'General case' 0 N--CA 1.474 0.768 0 O-C-N 120.758 -1.214 . . . . 0.0 112.503 177.096 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 17.7 tp -72.44 -43.43 63.8 Favored 'General case' 0 CA--C 1.535 0.399 0 C-N-CA 124.341 1.056 . . . . 0.0 110.96 177.837 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 76.4 t -59.65 -43.25 90.82 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.979 0 C-N-CA 123.931 0.892 . . . . 0.0 111.18 172.947 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 24.0 mt-10 -58.99 -46.77 87.34 Favored 'General case' 0 N--CA 1.466 0.347 0 C-N-CA 123.827 0.851 . . . . 0.0 112.085 173.373 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -60.62 -49.44 77.53 Favored 'General case' 0 CA--C 1.532 0.255 0 CA-C-N 119.327 0.967 . . . . 0.0 111.635 177.349 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 3.9 mm? -54.33 -38.97 66.61 Favored 'General case' 0 N--CA 1.471 0.602 0 CA-C-N 118.764 0.711 . . . . 0.0 111.857 176.553 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 16' ' ' TYR . . . . . . . . . . . . . 74.8 t80 -61.88 -43.33 99.06 Favored 'General case' 0 CA--C 1.538 0.487 0 CA-C-N 119.101 0.864 . . . . 0.0 112.548 172.175 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 95.3 mt -69.81 -45.65 67.44 Favored 'General case' 0 CA--C 1.536 0.411 0 O-C-N 121.238 -0.914 . . . . 0.0 112.944 -178.896 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 18' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -78.62 -35.98 19.28 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.333 0 CA-C-N 118.717 0.69 . . . . 0.0 112.463 -178.023 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 19' ' ' CYS . . . . . . . . . . . . . 31.4 t -114.45 -49.9 2.81 Favored 'General case' 0 CA--C 1.536 0.412 0 N-CA-C 113.801 1.037 . . . . 0.0 113.801 -175.038 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . -73.27 -31.44 61.34 Favored Glycine 0 N--CA 1.476 1.339 0 N-CA-C 115.11 0.804 . . . . 0.0 115.11 -163.442 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 11.1 tp10 -81.35 -37.4 28.34 Favored 'General case' 0 CA--C 1.543 0.707 0 C-N-CA 125.486 1.514 . . . . 0.0 111.279 172.93 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 22' ' ' ARG . . . . . . . . . . . . . 51.3 mmm-85 -73.43 -47.89 38.16 Favored 'General case' 0 N--CA 1.472 0.626 0 C-N-CA 124.288 1.035 . . . . 0.0 111.939 -176.035 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . -98.0 81.21 0.63 Allowed Glycine 0 N--CA 1.466 0.676 0 N-CA-C 108.543 -1.823 . . . . 0.0 108.543 166.128 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 24' ' ' HIS . . . . . . . . . . . . . 19.4 p80 -54.59 146.16 17.16 Favored 'General case' 0 CA--C 1.549 0.928 0 N-CA-C 114.928 1.455 . . . . 0.0 114.928 -167.456 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 25' ' ' PHE . . . . . . . . . . . . . 32.6 t80 59.79 52.58 5.35 Favored 'General case' 0 CA--C 1.541 0.634 0 C-N-CA 126.115 1.766 . . . . 0.0 112.329 -178.096 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 26' ' ' TYR . . . . . . . . . . . . . 55.6 t80 -67.68 145.5 54.72 Favored 'General case' 0 CA--C 1.54 0.591 0 C-N-CA 124.205 1.002 . . . . 0.0 112.199 173.285 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 27' ' ' THR . . . . . . . . . . . . . 21.2 p -118.19 111.2 38.77 Favored Pre-proline 0 N--CA 1.472 0.645 0 C-N-CA 126.005 1.722 . . . . 0.0 108.8 175.699 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 28' ' ' PRO . . . . . . . . . . . . . 86.9 Cg_endo -76.25 157.02 37.65 Favored 'Trans proline' 0 C--N 1.349 0.564 0 C-N-CA 123.059 2.506 . . . . 0.0 111.748 -176.224 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -158.96 158.85 34.08 Favored 'General case' 0 CA--C 1.545 0.769 0 C-N-CA 125.508 1.523 . . . . 0.0 113.012 -174.517 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 30' ' ' THR . . . . . . . . . . . . . 17.9 p . . . . . 0 C--O 1.253 1.279 0 C-N-CA 125.795 1.638 . . . . 0.0 113.189 177.44 . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.482 1.739 0 CA-C-O 121.246 0.359 . . . . 0.0 112.91 . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 7.4 tp -68.16 -34.62 67.57 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.187 0 N-CA-C 114.305 1.224 . . . . 0.0 114.305 -172.998 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 92.2 t -66.73 -44.2 89.58 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.14 0 O-C-N 120.986 -1.071 . . . . 0.0 110.725 -179.67 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 17.6 pt-20 -74.23 -4.55 36.68 Favored 'General case' 0 CA--C 1.547 0.856 0 N-CA-C 113.508 0.929 . . . . 0.0 113.508 174.102 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 11.2 tp60 -92.24 -44.04 8.97 Favored 'General case' 0 CA--C 1.54 0.577 0 C-N-CA 124.15 0.98 . . . . 0.0 111.581 170.467 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 98.4 m -114.37 -23.68 9.26 Favored 'General case' 0 N--CA 1.477 0.906 0 N-CA-C 116.61 2.078 . . . . 0.0 116.61 -168.845 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 42.2 t -85.74 -40.74 15.77 Favored 'General case' 0 N--CA 1.48 1.029 0 CA-C-N 119.603 1.092 . . . . 0.0 113.886 -178.464 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 6.9 t -75.99 -29.85 58.34 Favored 'General case' 0 N--CA 1.479 0.979 0 C-N-CA 124.766 1.226 . . . . 0.0 112.965 -179.481 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 83.7 p -159.24 168.13 27.25 Favored 'General case' 0 CA--C 1.535 0.393 0 C-N-CA 126.005 1.722 . . . . 0.0 110.789 -179.068 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 15.6 mt -73.55 127.19 35.29 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.51 0 O-C-N 121.613 -0.68 . . . . 0.0 111.687 -171.606 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 30.1 p -103.61 154.4 19.55 Favored 'General case' 0 CA--C 1.537 0.454 0 C-N-CA 124.836 1.255 . . . . 0.0 111.902 171.339 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 69.1 m -94.1 153.25 18.23 Favored 'General case' 0 N--CA 1.47 0.548 0 CA-C-O 121.612 0.72 . . . . 0.0 112.161 170.988 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 13' ' ' LEU . . . . . 0.584 ' H ' HD23 ' A' ' 13' ' ' LEU . 1.7 pt? -58.67 -40.92 84.89 Favored 'General case' 0 N--CA 1.465 0.291 0 O-C-N 121.405 -0.809 . . . . 0.0 112.116 -177.296 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 22.8 p90 -68.17 -14.69 63.17 Favored 'General case' 0 CA--C 1.536 0.42 0 N-CA-C 114.235 1.198 . . . . 0.0 114.235 -173.974 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 3.5 pt20 -109.86 -29.43 8.29 Favored 'General case' 0 C--O 1.223 -0.335 0 C-N-CA 124.034 0.933 . . . . 0.0 110.676 177.6 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 16' ' ' LEU . . . . . 0.511 HD11 HG21 ' B' ' 18' ' ' VAL . 0.3 OUTLIER -70.27 -28.74 65.46 Favored 'General case' 0 CA--C 1.548 0.895 0 CA-C-N 119.802 1.183 . . . . 0.0 111.891 175.547 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 28.8 mt-10 -49.41 -36.48 22.26 Favored 'General case' 0 N--CA 1.48 1.026 0 C-N-CA 124.655 1.182 . . . . 0.0 112.066 170.411 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 5.6 m120 -60.06 -25.88 65.71 Favored 'General case' 0 CA--C 1.542 0.661 0 C-N-CA 124.981 1.313 . . . . 0.0 112.811 -173.433 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 84.1 m-85 -86.81 -6.42 58.82 Favored 'General case' 0 CA--C 1.542 0.649 0 C-N-CA 125.983 1.713 . . . . 0.0 113.55 -176.597 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 17.2 t -70.25 -25.84 63.56 Favored 'General case' 0 CA--C 1.545 0.778 0 C-N-CA 123.719 0.808 . . . . 0.0 113.021 173.647 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 C--O 1.252 1.227 0 C-N-CA 126.1 1.76 . . . . 0.0 111.823 177.107 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 1' ' ' PHE . . . . . . . . . . . . . 47.9 t80 . . . . . 0 N--CA 1.487 1.415 0 CA-C-O 119.562 -0.256 . . . . 0.0 110.649 . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' B' B ' 2' ' ' VAL . . . . . . . . . . . . . 89.3 t -132.15 118.41 36.58 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.986 0 C-N-CA 124.794 1.238 . . . . 0.0 109.128 173.654 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 3' ' ' ASN . . . . . . . . . . . . . 72.4 m-20 -64.28 123.78 20.02 Favored 'General case' 0 CA--C 1.538 0.511 0 CA-C-O 121.158 0.504 . . . . 0.0 110.201 167.491 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 4' ' ' GLN . . . . . . . . . . . . . 11.5 pt20 -161.98 -176.43 5.19 Favored 'General case' 0 CA--C 1.536 0.423 0 C-N-CA 125.56 1.544 . . . . 0.0 109.815 -171.951 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 5' ' ' HIS . . . . . . . . . . . . . 82.4 m-70 -84.89 122.64 29.47 Favored 'General case' 0 CA--C 1.541 0.633 0 C-N-CA 123.552 0.741 . . . . 0.0 110.168 171.515 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 97.2 mt -127.57 128.81 46.24 Favored 'General case' 0 N--CA 1.468 0.468 0 C-N-CA 124.699 1.2 . . . . 0.0 110.861 -172.923 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 7' ' ' CYS . . . . . . . . . . . . . 0.4 OUTLIER -151.19 149.13 29.08 Favored 'General case' 0 N--CA 1.468 0.453 0 C-N-CA 124.117 0.967 . . . . 0.0 111.236 -178.291 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 8' ' ' GLY . . . . . . . . . . . . . . . 58.16 -127.56 45.41 Favored Glycine 0 N--CA 1.472 1.073 0 C-N-CA 123.879 0.752 . . . . 0.0 112.693 178.694 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 9' ' ' SER . . . . . . . . . . . . . 9.0 t -53.7 -42.83 68.44 Favored 'General case' 0 N--CA 1.473 0.715 0 C-N-CA 123.544 0.738 . . . . 0.0 111.941 176.767 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 10' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -59.9 -35.95 75.94 Favored 'General case' 0 N--CA 1.473 0.679 0 O-C-N 121.157 -0.964 . . . . 0.0 112.655 179.355 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 18.1 tp -73.95 -45.0 53.04 Favored 'General case' 0 CA--C 1.536 0.421 0 C-N-CA 124.177 0.991 . . . . 0.0 111.203 178.41 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 92.9 t -60.78 -41.54 88.89 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.114 0 C-N-CA 123.857 0.863 . . . . 0.0 111.198 173.601 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 21.3 mt-10 -59.45 -47.97 83.45 Favored 'General case' 0 N--CA 1.464 0.244 0 C-N-CA 125.013 1.325 . . . . 0.0 111.787 173.235 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -60.66 -47.82 84.53 Favored 'General case' 0 CA--C 1.531 0.24 0 CA-C-N 119.383 0.992 . . . . 0.0 111.695 176.799 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 3.8 mm? -54.52 -39.28 67.46 Favored 'General case' 0 N--CA 1.469 0.489 0 CA-C-N 118.729 0.695 . . . . 0.0 111.779 176.161 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 16' ' ' TYR . . . . . . . . . . . . . 75.8 t80 -62.39 -44.12 97.21 Favored 'General case' 0 CA--C 1.539 0.552 0 CA-C-N 119.049 0.841 . . . . 0.0 112.444 171.779 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 95.9 mt -68.69 -37.52 79.62 Favored 'General case' 0 CA--C 1.538 0.497 0 N-CA-C 113.365 0.876 . . . . 0.0 113.365 -178.844 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 18' ' ' VAL . . . . . 0.511 HG21 HD11 ' A' ' 16' ' ' LEU . 0.0 OUTLIER -83.32 -40.0 15.76 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.338 0 CA-C-N 118.972 0.805 . . . . 0.0 112.436 178.95 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' B' B ' 19' ' ' CYS . . . . . . . . . . . . . 19.5 t -106.76 -47.31 3.76 Favored 'General case' 0 CA--C 1.54 0.589 0 N-CA-C 114.031 1.123 . . . . 0.0 114.031 -172.381 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . -76.98 -55.01 4.59 Favored Glycine 0 N--CA 1.474 1.202 0 C-N-CA 124.43 1.014 . . . . 0.0 113.482 -166.567 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 8.1 tp10 -56.31 -35.83 67.98 Favored 'General case' 0 CA--C 1.542 0.641 0 C-N-CA 126.186 1.794 . . . . 0.0 111.786 176.553 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 22' ' ' ARG . . . . . . . . . . . . . 53.8 mtt180 -85.14 -3.22 58.73 Favored 'General case' 0 CA--C 1.545 0.755 0 C-N-CA 125.254 1.422 . . . . 0.0 113.137 -179.354 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . -96.85 -51.18 1.68 Allowed Glycine 0 N--CA 1.469 0.844 0 C-N-CA 126.016 1.77 . . . . 0.0 112.986 -176.237 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 24' ' ' HIS . . . . . . . . . . . . . 6.4 p80 -71.9 -20.38 61.79 Favored 'General case' 0 CA--C 1.549 0.916 0 N-CA-C 114.017 1.117 . . . . 0.0 114.017 -179.468 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 25' ' ' PHE . . . . . . . . . . . . . 65.7 t80 -157.96 158.92 35.86 Favored 'General case' 0 CA--C 1.541 0.603 0 C-N-CA 126.622 1.969 . . . . 0.0 110.507 -177.886 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 26' ' ' TYR . . . . . . . . . . . . . 55.4 t80 -71.01 149.68 46.37 Favored 'General case' 0 CA--C 1.543 0.69 0 N-CA-C 113.315 0.857 . . . . 0.0 113.315 179.978 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 27' ' ' THR . . . . . . . . . . . . . 23.0 p -127.53 121.13 22.2 Favored Pre-proline 0 N--CA 1.474 0.729 0 C-N-CA 125.371 1.468 . . . . 0.0 109.384 171.302 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 28' ' ' PRO . . . . . . . . . . . . . 94.0 Cg_endo -77.12 158.24 33.89 Favored 'Trans proline' 0 C--N 1.35 0.657 0 C-N-CA 123.32 2.68 . . . . 0.0 111.993 -174.969 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 43.9 mmtm -98.84 159.7 14.78 Favored 'General case' 0 CA--C 1.545 0.767 0 C-N-CA 124.494 1.118 . . . . 0.0 113.131 -172.769 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 30' ' ' THR . . . . . . . . . . . . . 86.1 m . . . . . 0 C--O 1.253 1.269 0 C-N-CA 125.276 1.43 . . . . 0.0 111.176 175.791 . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.572 0 CA-C-O 121.474 0.486 . . . . 0.0 112.776 . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 7.6 tp -72.63 -32.86 42.81 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.073 0 C-N-CA 125.072 1.349 . . . . 0.0 114.466 -174.003 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 74.3 t -64.86 -49.67 78.84 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.155 0 CA-C-N 119.869 1.213 . . . . 0.0 110.441 -175.133 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 12.4 pm0 -70.05 2.18 3.86 Favored 'General case' 0 CA--C 1.546 0.802 0 C-N-CA 124.552 1.141 . . . . 0.0 113.771 175.995 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 12.4 tp60 -101.51 -61.84 1.33 Allowed 'General case' 0 CA--C 1.538 0.494 0 C-N-CA 124.029 0.932 . . . . 0.0 110.606 163.183 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 1.8 t -89.38 -22.04 22.78 Favored 'General case' 0 CA--C 1.542 0.651 0 N-CA-C 114.995 1.48 . . . . 0.0 114.995 -164.854 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 26.4 t -75.04 -26.71 59.65 Favored 'General case' 0 N--CA 1.476 0.862 0 O-C-N 121.149 -0.969 . . . . 0.0 113.328 172.942 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 7.5 t -96.12 -33.74 11.96 Favored 'General case' 0 N--CA 1.476 0.863 0 C-N-CA 124.953 1.301 . . . . 0.0 113.045 -178.451 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 91.8 p -151.04 170.74 18.64 Favored 'General case' 0 N--CA 1.47 0.531 0 C-N-CA 125.095 1.358 . . . . 0.0 111.46 -179.255 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 15.9 mt -72.84 127.0 34.49 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.68 0 O-C-N 120.399 -1.438 . . . . 0.0 111.807 -171.097 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 15.4 p -105.54 148.99 26.65 Favored 'General case' 0 CA--C 1.538 0.483 0 C-N-CA 123.839 0.855 . . . . 0.0 112.039 166.218 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 50.8 m -103.43 155.96 18.11 Favored 'General case' 0 N--CA 1.471 0.583 0 C-N-CA 124.486 1.114 . . . . 0.0 112.144 175.583 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 13' ' ' LEU . . . . . 0.538 ' H ' HD23 ' A' ' 13' ' ' LEU . 1.5 pt? -58.7 -40.03 82.45 Favored 'General case' 0 CA--C 1.531 0.239 0 O-C-N 121.224 -0.923 . . . . 0.0 112.352 -172.827 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 21.6 p90 -68.38 -13.92 62.63 Favored 'General case' 0 CA--C 1.536 0.418 0 C-N-CA 125.133 1.373 . . . . 0.0 114.188 -174.13 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 3.9 pt20 -116.53 -24.74 7.69 Favored 'General case' 0 CA--C 1.535 0.389 0 C-N-CA 124.638 1.175 . . . . 0.0 111.313 179.67 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 16' ' ' LEU . . . . . 0.421 HD11 HG21 ' B' ' 18' ' ' VAL . 0.3 OUTLIER -75.09 -28.75 60.42 Favored 'General case' 0 CA--C 1.545 0.753 0 CA-C-N 119.344 0.975 . . . . 0.0 112.151 176.931 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 35.7 mt-10 -53.27 -34.97 59.44 Favored 'General case' 0 N--CA 1.481 1.092 0 C-N-CA 123.843 0.857 . . . . 0.0 111.678 170.939 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 1.7 t-20 -57.03 -27.99 62.11 Favored 'General case' 0 CA--C 1.544 0.713 0 C-N-CA 124.533 1.133 . . . . 0.0 113.233 -177.501 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 87.8 m-85 -82.82 -11.68 58.05 Favored 'General case' 0 CA--C 1.542 0.662 0 C-N-CA 125.655 1.582 . . . . 0.0 113.665 179.186 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 11.4 t -74.01 -24.6 59.6 Favored 'General case' 0 CA--C 1.544 0.749 0 C-N-CA 123.87 0.868 . . . . 0.0 112.912 177.042 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 C--O 1.253 1.285 0 C-N-CA 126.19 1.796 . . . . 0.0 111.989 177.538 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 1' ' ' PHE . . . . . . . . . . . . . 48.1 t80 . . . . . 0 N--CA 1.487 1.411 0 CA-C-O 119.387 -0.34 . . . . 0.0 110.439 . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' B' B ' 2' ' ' VAL . . . . . . . . . . . . . 3.5 m -129.83 118.84 45.89 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.032 0 C-N-CA 124.802 1.241 . . . . 0.0 110.664 173.847 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 3' ' ' ASN . . . . . . . . . . . . . 85.2 m-20 -79.83 111.3 16.02 Favored 'General case' 0 CA--C 1.536 0.429 0 N-CA-C 109.048 -0.723 . . . . 0.0 109.048 171.874 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 4' ' ' GLN . . . . . . . . . . . . . 9.3 pt20 -161.74 -177.98 6.22 Favored 'General case' 0 CA--C 1.534 0.332 0 C-N-CA 125.354 1.461 . . . . 0.0 110.847 -175.173 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 5' ' ' HIS . . . . . . . . . . . . . 58.3 m80 -72.76 135.37 45.29 Favored 'General case' 0 CA--C 1.541 0.606 0 C-N-CA 124.042 0.937 . . . . 0.0 109.569 168.487 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 92.3 mt -140.73 135.2 31.31 Favored 'General case' 0 N--CA 1.468 0.43 0 C-N-CA 124.794 1.238 . . . . 0.0 109.828 -175.981 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 7' ' ' CYS . . . . . . . . . . . . . 2.0 t -155.75 146.16 21.82 Favored 'General case' 0 N--CA 1.468 0.473 0 C-N-CA 123.233 0.613 . . . . 0.0 111.657 -177.619 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 8' ' ' GLY . . . . . . . . . . . . . . . 58.32 -127.28 44.76 Favored Glycine 0 CA--C 1.529 0.936 0 C-N-CA 123.815 0.721 . . . . 0.0 112.053 -178.656 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 9' ' ' SER . . . . . . . . . . . . . 20.1 m -53.18 -40.05 64.09 Favored 'General case' 0 N--CA 1.47 0.533 0 C-N-CA 124.621 1.168 . . . . 0.0 112.704 178.307 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 10' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -63.08 -36.93 85.22 Favored 'General case' 0 CA--C 1.542 0.656 0 O-C-N 121.203 -0.936 . . . . 0.0 112.6 178.442 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 15.1 tp -74.16 -43.33 57.79 Favored 'General case' 0 CA--C 1.536 0.415 0 C-N-CA 124.395 1.078 . . . . 0.0 110.923 177.856 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 71.2 t -59.53 -43.51 90.98 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.082 0 C-N-CA 123.971 0.908 . . . . 0.0 111.163 173.195 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 25.3 mt-10 -59.15 -46.93 87.09 Favored 'General case' 0 N--CA 1.466 0.363 0 C-N-CA 124.208 1.003 . . . . 0.0 111.947 173.37 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -60.68 -48.22 82.77 Favored 'General case' 0 CA--C 1.534 0.354 0 CA-C-N 119.169 0.895 . . . . 0.0 111.992 177.344 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 3.9 mm? -56.58 -38.13 71.54 Favored 'General case' 0 N--CA 1.469 0.518 0 CA-C-N 118.692 0.678 . . . . 0.0 111.893 176.241 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 16' ' ' TYR . . . . . . . . . . . . . 83.8 t80 -61.33 -46.76 88.91 Favored 'General case' 0 CA--C 1.536 0.41 0 CA-C-N 119.179 0.899 . . . . 0.0 112.08 171.034 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 96.8 mt -62.34 -49.18 76.62 Favored 'General case' 0 CA--C 1.537 0.447 0 CA-C-N 118.675 0.671 . . . . 0.0 112.273 -179.605 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 18' ' ' VAL . . . . . 0.421 HG21 HD11 ' A' ' 16' ' ' LEU . 0.0 OUTLIER -77.68 -41.24 28.55 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.185 0 CA-C-N 118.521 0.601 . . . . 0.0 112.525 -176.097 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' B' B ' 19' ' ' CYS . . . . . . . . . . . . . 18.0 t -110.77 -39.2 4.92 Favored 'General case' 0 CA--C 1.541 0.609 0 N-CA-C 114.101 1.149 . . . . 0.0 114.101 -169.723 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . -81.69 -36.57 19.1 Favored Glycine 0 N--CA 1.476 1.304 0 C-N-CA 123.89 0.757 . . . . 0.0 114.03 -170.014 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 16.8 tt0 -81.0 1.93 29.13 Favored 'General case' 0 CA--C 1.547 0.839 0 C-N-CA 125.592 1.557 . . . . 0.0 113.176 -178.134 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 22' ' ' ARG . . . . . . . . . . . . . 34.6 mmt180 -57.49 -5.21 0.31 Allowed 'General case' 0 N--CA 1.477 0.876 0 C-N-CA 126.507 1.923 . . . . 0.0 115.953 -178.633 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . -64.18 -25.72 69.88 Favored Glycine 0 CA--C 1.534 1.228 0 C-N-CA 124.647 1.117 . . . . 0.0 113.798 168.635 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 24' ' ' HIS . . . . . . . . . . . . . 26.4 p80 -143.34 -24.16 0.6 Allowed 'General case' 0 CA--C 1.55 0.951 0 C-N-CA 125.043 1.337 . . . . 0.0 114.603 171.801 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 25' ' ' PHE . . . . . . . . . . . . . 24.5 t80 58.4 64.84 1.38 Allowed 'General case' 0 CA--C 1.539 0.547 0 C-N-CA 127.802 2.441 . . . . 0.0 113.872 173.631 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 26' ' ' TYR . . . . . . . . . . . . . 71.8 t80 -65.36 151.43 46.29 Favored 'General case' 0 CA--C 1.544 0.731 0 O-C-N 121.723 -0.61 . . . . 0.0 111.201 159.003 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 27' ' ' THR . . . . . . . . . . . . . 29.6 p -126.76 119.42 22.7 Favored Pre-proline 0 N--CA 1.472 0.636 0 C-N-CA 125.099 1.359 . . . . 0.0 108.963 173.84 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 28' ' ' PRO . . . . . . . . . . . . . 69.7 Cg_endo -82.28 155.24 16.71 Favored 'Trans proline' 0 C--N 1.348 0.54 0 C-N-CA 122.787 2.325 . . . . 0.0 111.326 179.465 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -159.55 165.34 33.1 Favored 'General case' 0 CA--C 1.549 0.913 0 C-N-CA 126.264 1.826 . . . . 0.0 112.781 -179.171 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 30' ' ' THR . . . . . . . . . . . . . 25.2 m . . . . . 0 N--CA 1.488 1.432 0 C-N-CA 128.721 2.808 . . . . 0.0 112.026 174.81 . . . . . . . . 0 0 . 1 . 021 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.482 1.704 0 N-CA-C 112.231 -0.348 . . . . 0.0 112.231 . . . . . . . . . 0 0 . 1 . 021 nuclear build full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 6.8 tp -57.26 -33.11 42.63 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.324 0 C-N-CA 125.416 1.486 . . . . 0.0 114.121 -171.639 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 93.5 t -58.71 -36.22 59.37 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.977 0 C-N-CA 123.96 0.904 . . . . 0.0 111.07 176.287 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 37.9 mt-10 -77.93 0.58 23.65 Favored 'General case' 0 CA--C 1.543 0.706 0 C-N-CA 124.455 1.102 . . . . 0.0 112.947 179.255 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 18.3 tp60 -111.02 -50.11 2.97 Favored 'General case' 0 CA--C 1.536 0.426 0 C-N-CA 124.497 1.119 . . . . 0.0 111.147 169.475 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 1.6 t -100.18 -21.88 15.37 Favored 'General case' 0 N--CA 1.471 0.595 0 N-CA-C 115.307 1.595 . . . . 0.0 115.307 -167.549 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 18.6 t -79.65 -29.86 41.09 Favored 'General case' 0 N--CA 1.477 0.908 0 O-C-N 120.954 -1.091 . . . . 0.0 112.735 169.891 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 5.8 t -82.41 -33.19 28.75 Favored 'General case' 0 N--CA 1.475 0.79 0 C-N-CA 124.745 1.218 . . . . 0.0 112.823 176.912 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 4.9 t -153.17 -171.71 4.01 Favored 'General case' 0 CA--C 1.543 0.709 0 C-N-CA 124.364 1.066 . . . . 0.0 112.651 -174.94 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 31.4 mm -63.39 138.63 22.63 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.572 0 O-C-N 120.87 -1.144 . . . . 0.0 110.528 173.464 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 14.5 p -126.83 150.69 49.06 Favored 'General case' 0 N--CA 1.469 0.515 0 CA-C-O 121.984 0.897 . . . . 0.0 112.796 155.976 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 20.1 m -107.74 152.97 23.64 Favored 'General case' 0 N--CA 1.469 0.504 0 C-N-CA 125.222 1.409 . . . . 0.0 111.576 176.718 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 13' ' ' LEU . . . . . 0.524 ' H ' HD23 ' A' ' 13' ' ' LEU . 1.8 pt? -57.78 -40.88 80.89 Favored 'General case' 0 N--CA 1.463 0.224 0 O-C-N 121.433 -0.792 . . . . 0.0 111.875 -172.331 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 22.3 p90 -67.42 -13.31 61.91 Favored 'General case' 0 CA--C 1.537 0.459 0 C-N-CA 125.112 1.365 . . . . 0.0 114.569 -174.992 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 3.9 pt20 -117.43 -24.82 7.21 Favored 'General case' 0 CA--C 1.535 0.385 0 C-N-CA 124.357 1.063 . . . . 0.0 111.06 179.734 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 16' ' ' LEU . . . . . 0.482 HD11 HG21 ' B' ' 18' ' ' VAL . 0.2 OUTLIER -76.05 -28.66 57.73 Favored 'General case' 0 CA--C 1.549 0.931 0 CA-C-N 118.946 0.793 . . . . 0.0 111.459 173.935 . . . . . . . . 3 3 . 1 . 021 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 31.6 mt-10 -50.7 -32.26 18.92 Favored 'General case' 0 N--CA 1.481 1.11 0 C-N-CA 125.044 1.338 . . . . 0.0 112.013 167.072 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 1.2 t-20 -62.82 -23.97 67.53 Favored 'General case' 0 CA--C 1.542 0.657 0 C-N-CA 124.176 0.99 . . . . 0.0 112.967 -176.748 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 79.2 m-85 -84.29 -1.14 54.81 Favored 'General case' 0 CA--C 1.547 0.856 0 C-N-CA 125.907 1.683 . . . . 0.0 113.013 177.614 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 11.7 t -72.2 -23.24 61.23 Favored 'General case' 0 CA--C 1.546 0.81 0 C-N-CA 125.095 1.358 . . . . 0.0 112.923 168.54 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 35.2 m120 . . . . . 0 C--O 1.253 1.259 0 C-N-CA 125.669 1.588 . . . . 0.0 113.535 178.395 . . . . . . . . 0 0 . 1 . 021 nuclear build full ' B' B ' 1' ' ' PHE . . . . . . . . . . . . . 41.4 t80 . . . . . 0 N--CA 1.487 1.386 0 CA-C-O 119.734 -0.174 . . . . 0.0 110.639 . . . . . . . . . 0 0 . 1 . 021 nuclear build full ' B' B ' 2' ' ' VAL . . . . . . . . . . . . . 84.3 t -130.31 123.38 55.53 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.997 0 C-N-CA 124.843 1.257 . . . . 0.0 108.456 171.127 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' B' B ' 3' ' ' ASN . . . . . . . . . . . . . 60.3 m-20 -68.14 118.21 10.98 Favored 'General case' 0 CA--C 1.536 0.408 0 C-N-CA 123.639 0.775 . . . . 0.0 109.506 177.038 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' B' B ' 4' ' ' GLN . . . . . . . . . . . . . 11.7 pt20 -159.17 179.5 8.96 Favored 'General case' 0 CA--C 1.535 0.39 0 CA-C-O 121.243 0.544 . . . . 0.0 112.104 -165.848 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' B' B ' 5' ' ' HIS . . . . . . . . . . . . . 73.6 m80 -81.52 128.58 34.05 Favored 'General case' 0 CA--C 1.547 0.835 0 C-N-CA 124.459 1.104 . . . . 0.0 110.109 168.574 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 89.9 mt -135.21 137.93 43.12 Favored 'General case' 0 N--CA 1.471 0.615 0 C-N-CA 125.063 1.345 . . . . 0.0 110.701 -176.841 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' B' B ' 7' ' ' CYS . . . . . . . . . . . . . 2.5 t -155.68 148.05 23.76 Favored 'General case' 0 N--CA 1.469 0.51 0 O-C-N 121.558 -0.714 . . . . 0.0 111.834 179.142 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' B' B ' 8' ' ' GLY . . . . . . . . . . . . . . . 60.22 -129.59 47.84 Favored Glycine 0 CA--C 1.529 0.909 0 C-N-CA 123.859 0.742 . . . . 0.0 112.133 -179.181 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' B' B ' 9' ' ' SER . . . . . . . . . . . . . 20.3 m -53.81 -38.14 64.26 Favored 'General case' 0 N--CA 1.47 0.563 0 C-N-CA 124.575 1.15 . . . . 0.0 112.792 179.082 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' B' B ' 10' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -63.24 -38.97 93.24 Favored 'General case' 0 CA--C 1.542 0.638 0 O-C-N 121.24 -0.913 . . . . 0.0 112.568 177.342 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 14.8 tp -72.18 -43.11 65.03 Favored 'General case' 0 CA--C 1.535 0.369 0 C-N-CA 124.276 1.03 . . . . 0.0 110.823 177.332 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 73.4 t -60.43 -42.76 92.26 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.988 0 C-N-CA 123.798 0.839 . . . . 0.0 111.292 174.219 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 16.8 mt-10 -60.46 -43.25 97.07 Favored 'General case' 0 N--CA 1.469 0.501 0 C-N-CA 123.984 0.914 . . . . 0.0 112.455 173.938 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -62.5 -50.85 69.77 Favored 'General case' 0 CA--C 1.536 0.413 0 CA-C-N 118.702 0.683 . . . . 0.0 111.14 174.863 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 4.1 mm? -57.23 -34.79 68.93 Favored 'General case' 0 N--CA 1.47 0.558 0 CA-C-N 119.088 0.858 . . . . 0.0 112.182 176.902 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' B' B ' 16' ' ' TYR . . . . . . . . . . . . . 57.8 t80 -59.46 -40.36 86.62 Favored 'General case' 0 CA--C 1.54 0.567 0 CA-C-N 120.901 1.682 . . . . 0.0 112.532 171.432 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 87.0 mt -77.52 -37.43 50.98 Favored 'General case' 0 CA--C 1.539 0.54 0 N-CA-C 113.471 0.915 . . . . 0.0 113.471 -178.523 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' B' B ' 18' ' ' VAL . . . . . 0.482 HG21 HD11 ' A' ' 16' ' ' LEU . 0.1 OUTLIER -94.13 -27.76 4.34 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.557 0 N-CA-C 114.783 1.401 . . . . 0.0 114.783 -178.84 . . . . . . . . 3 3 . 1 . 021 nuclear build full ' B' B ' 19' ' ' CYS . . . . . . . . . . . . . 52.5 t -114.94 -41.5 3.34 Favored 'General case' 0 N--CA 1.475 0.802 0 C-N-CA 124.442 1.097 . . . . 0.0 112.826 -177.575 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . -72.94 -46.27 29.64 Favored Glycine 0 N--CA 1.474 1.2 0 C-N-CA 123.703 0.668 . . . . 0.0 112.739 -174.452 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 16.0 tm-20 -55.21 -28.46 53.23 Favored 'General case' 0 CA--C 1.544 0.733 0 C-N-CA 126.048 1.739 . . . . 0.0 112.898 178.432 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' B' B ' 22' ' ' ARG . . . . . . . . . . . . . 76.1 mmt-85 -67.42 -6.39 18.98 Favored 'General case' 0 CA--C 1.547 0.854 0 C-N-CA 125.372 1.469 . . . . 0.0 113.927 176.788 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . 109.85 31.19 3.22 Favored Glycine 0 N--CA 1.473 1.13 0 C-N-CA 126.438 1.971 . . . . 0.0 114.435 179.687 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' B' B ' 24' ' ' HIS . . . . . . . . . . . . . 95.1 m-70 50.34 -127.56 2.27 Favored 'General case' 0 CA--C 1.555 1.135 0 C-N-CA 126.456 1.903 . . . . 0.0 114.097 172.949 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' B' B ' 25' ' ' PHE . . . . . . . . . . . . . 26.0 t80 57.52 47.8 15.54 Favored 'General case' 0 N--CA 1.471 0.615 0 C-N-CA 126.518 1.927 . . . . 0.0 112.591 -177.977 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' B' B ' 26' ' ' TYR . . . . . . . . . . . . . 53.7 t80 -78.68 149.07 32.89 Favored 'General case' 0 CA--C 1.54 0.588 0 C-N-CA 124.205 1.002 . . . . 0.0 112.173 177.266 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' B' B ' 27' ' ' THR . . . . . . . . . . . . . 21.9 p -109.59 104.73 56.02 Favored Pre-proline 0 N--CA 1.474 0.75 0 C-N-CA 125.338 1.455 . . . . 0.0 109.658 177.168 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' B' B ' 28' ' ' PRO . . . . . . . . . . . . . 98.1 Cg_endo -73.61 155.2 49.88 Favored 'Trans proline' 0 C--N 1.35 0.636 0 C-N-CA 123.167 2.578 . . . . 0.0 111.273 -178.518 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 30.7 mtmm -137.11 150.26 47.88 Favored 'General case' 0 CA--C 1.544 0.737 0 C-N-CA 125.159 1.384 . . . . 0.0 111.922 -170.236 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' B' B ' 30' ' ' THR . . . . . . . . . . . . . 18.2 p . . . . . 0 C--O 1.252 1.224 0 C-N-CA 125.669 1.588 . . . . 0.0 113.763 178.493 . . . . . . . . 0 0 . 1 . 022 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.669 0 N-CA-C 112.422 -0.271 . . . . 0.0 112.422 . . . . . . . . . 0 0 . 1 . 022 nuclear build full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 6.3 tp -58.19 -35.55 53.58 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.231 0 C-N-CA 125.535 1.534 . . . . 0.0 113.98 -172.149 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 95.9 t -62.4 -33.5 59.51 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.972 0 C-N-CA 123.665 0.786 . . . . 0.0 111.198 176.961 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 44.0 mt-10 -77.12 -9.2 58.59 Favored 'General case' 0 CA--C 1.543 0.707 0 C-N-CA 124.029 0.932 . . . . 0.0 112.734 177.595 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 8.2 tp-100 -95.59 -47.71 6.11 Favored 'General case' 0 CA--C 1.538 0.481 0 C-N-CA 124.695 1.198 . . . . 0.0 110.527 172.815 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 63.0 m -103.11 -29.51 11.29 Favored 'General case' 0 N--CA 1.47 0.545 0 N-CA-C 116.158 1.91 . . . . 0.0 116.158 -166.947 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 16.6 t -79.42 -26.84 41.78 Favored 'General case' 0 N--CA 1.478 0.972 0 CA-C-N 119.282 0.946 . . . . 0.0 113.153 178.113 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 5.9 t -75.6 -34.77 60.63 Favored 'General case' 0 N--CA 1.476 0.827 0 C-N-CA 125.01 1.324 . . . . 0.0 113.103 -179.623 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 5.0 t -165.26 -172.38 2.49 Favored 'General case' 0 CA--C 1.543 0.684 0 C-N-CA 124.785 1.234 . . . . 0.0 112.072 -170.69 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 33.6 mm -58.29 128.98 19.74 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.623 0 C-N-CA 124.3 1.04 . . . . 0.0 110.531 172.674 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 15.6 p -125.64 150.03 47.93 Favored 'General case' 0 N--CA 1.469 0.494 0 C-N-CA 123.347 0.659 . . . . 0.0 112.096 165.036 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 50.9 m -106.54 153.33 22.48 Favored 'General case' 0 N--CA 1.471 0.587 0 C-N-CA 125.025 1.33 . . . . 0.0 112.449 -179.219 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 13' ' ' LEU . . . . . 0.533 ' H ' HD23 ' A' ' 13' ' ' LEU . 1.9 pt? -58.12 -40.19 80.6 Favored 'General case' 0 CA--C 1.53 0.2 0 C-N-CA 124.023 0.929 . . . . 0.0 112.106 -175.696 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 18.0 p90 -68.51 -13.33 62.25 Favored 'General case' 0 CA--C 1.536 0.433 0 C-N-CA 124.8 1.24 . . . . 0.0 114.329 -175.35 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 3.4 pt20 -114.62 -22.57 9.69 Favored 'General case' 0 C--O 1.223 -0.295 0 C-N-CA 124.043 0.937 . . . . 0.0 111.555 177.867 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 16' ' ' LEU . . . . . 0.476 HD11 HG21 ' B' ' 18' ' ' VAL . 0.3 OUTLIER -80.83 -25.77 37.54 Favored 'General case' 0 CA--C 1.548 0.87 0 CA-C-N 119.279 0.945 . . . . 0.0 111.805 175.96 . . . . . . . . 3 3 . 1 . 022 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 20.1 mt-10 -54.05 -27.7 34.01 Favored 'General case' 0 N--CA 1.48 1.031 0 C-N-CA 124.144 0.977 . . . . 0.0 112.352 166.903 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 83.3 m-20 -64.12 -17.01 63.04 Favored 'General case' 0 CA--C 1.541 0.601 0 C-N-CA 123.912 0.885 . . . . 0.0 113.132 -176.202 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 77.7 m-85 -96.68 1.03 50.62 Favored 'General case' 0 CA--C 1.549 0.926 0 C-N-CA 126.87 2.068 . . . . 0.0 112.993 179.05 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 47.7 t -71.2 -30.11 65.99 Favored 'General case' 0 N--CA 1.474 0.725 0 C-N-CA 125.521 1.528 . . . . 0.0 113.473 176.577 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--O 1.253 1.267 0 C-N-CA 125.958 1.703 . . . . 0.0 113.239 179.154 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' B' B ' 1' ' ' PHE . . . . . . . . . . . . . 21.8 t80 . . . . . 0 N--CA 1.487 1.409 0 CA-C-O 119.625 -0.226 . . . . 0.0 110.504 . . . . . . . . . 0 0 . 1 . 022 nuclear build full ' B' B ' 2' ' ' VAL . . . . . . . . . . . . . 17.8 m -134.79 139.23 47.93 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.054 0 C-N-CA 124.55 1.14 . . . . 0.0 109.988 166.189 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' B' B ' 3' ' ' ASN . . . . . . . . . . . . . 5.2 p30 -61.62 129.83 42.99 Favored 'General case' 0 CA--C 1.535 0.375 0 CA-C-O 120.707 0.289 . . . . 0.0 110.236 166.021 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' B' B ' 4' ' ' GLN . . . . . . . . . . . . . 20.4 pt20 -163.11 174.97 11.53 Favored 'General case' 0 CA--C 1.532 0.27 0 CA-C-O 121.531 0.682 . . . . 0.0 111.144 -169.464 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' B' B ' 5' ' ' HIS . . . . . . . . . . . . . 77.6 m80 -77.56 127.41 32.45 Favored 'General case' 0 CA--C 1.543 0.69 0 C-N-CA 124.063 0.945 . . . . 0.0 110.046 169.07 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 89.8 mt -135.19 129.3 33.53 Favored 'General case' 0 N--CA 1.471 0.597 0 C-N-CA 124.181 0.992 . . . . 0.0 111.037 -176.766 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' B' B ' 7' ' ' CYS . . . . . . . . . . . . . 2.1 t -155.23 146.38 22.7 Favored 'General case' 0 N--CA 1.469 0.481 0 C-N-CA 123.472 0.709 . . . . 0.0 111.313 178.811 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' B' B ' 8' ' ' GLY . . . . . . . . . . . . . . . 60.52 -128.08 44.77 Favored Glycine 0 CA--C 1.53 0.998 0 C-N-CA 123.783 0.706 . . . . 0.0 112.423 -178.753 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' B' B ' 9' ' ' SER . . . . . . . . . . . . . 8.6 t -55.5 -38.83 69.69 Favored 'General case' 0 N--CA 1.472 0.663 0 C-N-CA 123.9 0.88 . . . . 0.0 112.55 179.548 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' B' B ' 10' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -61.6 -39.77 92.42 Favored 'General case' 0 N--CA 1.473 0.702 0 O-C-N 120.959 -1.088 . . . . 0.0 112.461 176.411 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 17.8 tp -69.52 -44.73 70.42 Favored 'General case' 0 CA--C 1.533 0.316 0 C-N-CA 124.03 0.932 . . . . 0.0 110.777 177.684 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 82.2 t -59.78 -42.72 89.79 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.002 0 C-N-CA 123.662 0.785 . . . . 0.0 111.213 174.738 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 19.3 mt-10 -60.46 -45.94 91.89 Favored 'General case' 0 N--CA 1.468 0.428 0 C-N-CA 123.689 0.796 . . . . 0.0 112.379 173.747 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -62.62 -47.52 83.39 Favored 'General case' 0 CA--C 1.533 0.294 0 CA-C-N 119.184 0.902 . . . . 0.0 111.527 177.153 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -58.97 -35.17 72.73 Favored 'General case' 0 N--CA 1.466 0.357 0 CA-C-O 118.43 -0.795 . . . . 0.0 111.627 176.668 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' B' B ' 16' ' ' TYR . . . . . . . . . . . . . 87.4 t80 -60.44 -41.65 94.48 Favored 'General case' 0 CA--C 1.538 0.488 0 CA-C-N 121.047 1.749 . . . . 0.0 112.394 170.887 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 94.6 mt -70.44 -47.08 62.41 Favored 'General case' 0 CA--C 1.54 0.583 0 CA-C-O 118.882 -0.58 . . . . 0.0 112.426 -179.7 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' B' B ' 18' ' ' VAL . . . . . 0.476 HG21 HD11 ' A' ' 16' ' ' LEU . 0.0 OUTLIER -84.94 -35.59 10.21 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.509 0 N-CA-C 113.905 1.076 . . . . 0.0 113.905 -176.85 . . . . . . . . 3 3 . 1 . 022 nuclear build full ' B' B ' 19' ' ' CYS . . . . . . . . . . . . . 52.2 t -108.08 -42.5 4.64 Favored 'General case' 0 N--CA 1.471 0.595 0 C-N-CA 124.491 1.116 . . . . 0.0 112.625 -175.182 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . -69.31 -41.21 79.54 Favored Glycine 0 N--CA 1.47 0.953 0 C-N-CA 123.894 0.759 . . . . 0.0 112.705 -175.339 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 34.0 tt0 -61.07 -35.1 76.06 Favored 'General case' 0 CA--C 1.546 0.817 0 C-N-CA 123.86 0.864 . . . . 0.0 112.287 178.266 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' B' B ' 22' ' ' ARG . . . . . . . . . . . . . 17.4 ptm180 -88.53 3.22 51.06 Favored 'General case' 0 CA--C 1.548 0.872 0 C-N-CA 125.097 1.359 . . . . 0.0 114.36 175.253 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . 161.88 105.6 0.2 Allowed Glycine 0 N--CA 1.47 0.933 0 C-N-CA 125.903 1.716 . . . . 0.0 111.742 178.514 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' B' B ' 24' ' ' HIS . . . . . . . . . . . . . 93.3 m-70 -70.79 -21.09 62.52 Favored 'General case' 0 CA--C 1.547 0.831 0 N-CA-C 114.938 1.458 . . . . 0.0 114.938 -167.375 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' B' B ' 25' ' ' PHE . . . . . . . . . . . . . 89.7 t80 -77.73 126.2 30.5 Favored 'General case' 0 CA--C 1.54 0.559 0 C-N-CA 123.508 0.723 . . . . 0.0 110.724 171.721 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' B' B ' 26' ' ' TYR . . . . . . . . . . . . . 55.5 t80 -146.96 150.51 35.3 Favored 'General case' 0 CA--C 1.541 0.605 0 C-N-CA 125.377 1.471 . . . . 0.0 111.611 179.029 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' B' B ' 27' ' ' THR . . . . . . . . . . . . . 20.4 p -122.28 97.09 45.61 Favored Pre-proline 0 N--CA 1.473 0.708 0 C-N-CA 125.822 1.649 . . . . 0.0 110.258 -177.698 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' B' B ' 28' ' ' PRO . . . . . . . . . . . . . 91.1 Cg_endo -75.67 169.69 21.77 Favored 'Trans proline' 0 CA--C 1.539 0.765 0 C-N-CA 123.453 2.769 . . . . 0.0 111.25 174.47 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 65.1 mttm 57.87 -149.38 0.46 Allowed 'General case' 0 CA--C 1.554 1.102 0 C-N-CA 125.709 1.604 . . . . 0.0 113.003 177.58 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' B' B ' 30' ' ' THR . . . . . . . . . . . . . 13.5 t . . . . . 0 C--O 1.254 1.339 0 C-N-CA 127.175 2.19 . . . . 0.0 111.594 -177.053 . . . . . . . . 0 0 . 1 . 023 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.685 0 N-CA-C 112.337 -0.305 . . . . 0.0 112.337 . . . . . . . . . 0 0 . 1 . 023 nuclear build full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 7.0 tp -56.02 -38.71 54.26 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.264 0 C-N-CA 125.836 1.655 . . . . 0.0 113.718 -171.427 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 88.3 t -61.59 -33.17 56.05 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.882 0 C-N-CA 124.164 0.985 . . . . 0.0 111.261 179.03 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 43.8 mt-10 -76.79 -7.31 55.17 Favored 'General case' 0 CA--C 1.542 0.664 0 C-N-CA 124.078 0.951 . . . . 0.0 112.916 179.304 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 10.6 tp60 -105.51 -44.77 4.61 Favored 'General case' 0 CA--C 1.538 0.504 0 C-N-CA 124.307 1.043 . . . . 0.0 111.385 172.372 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 60.0 m -93.16 -34.08 13.76 Favored 'General case' 0 N--CA 1.472 0.653 0 N-CA-C 115.632 1.716 . . . . 0.0 115.632 -172.694 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 10.9 t -78.63 -24.47 45.26 Favored 'General case' 0 N--CA 1.477 0.882 0 N-CA-C 113.349 0.87 . . . . 0.0 113.349 -179.706 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 5.5 t -81.39 -33.88 31.99 Favored 'General case' 0 N--CA 1.475 0.817 0 C-N-CA 124.916 1.286 . . . . 0.0 113.29 179.673 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 5.5 t -163.62 -173.13 3.16 Favored 'General case' 0 CA--C 1.543 0.696 0 C-N-CA 124.513 1.125 . . . . 0.0 112.243 -169.823 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 34.3 mm -60.15 126.41 17.9 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.647 0 O-C-N 121.326 -0.858 . . . . 0.0 109.662 171.481 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 23.2 p -116.81 152.35 34.59 Favored 'General case' 0 N--CA 1.467 0.397 0 CA-C-O 121.521 0.677 . . . . 0.0 112.082 166.793 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 15.5 m -106.75 148.23 28.69 Favored 'General case' 0 N--CA 1.467 0.403 0 C-N-CA 123.773 0.829 . . . . 0.0 112.336 -174.286 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 13' ' ' LEU . . . . . 0.53 ' H ' HD23 ' A' ' 13' ' ' LEU . 1.9 pt? -56.51 -40.47 75.05 Favored 'General case' 0 N--CA 1.466 0.37 0 O-C-N 121.537 -0.727 . . . . 0.0 111.838 -175.732 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 15.5 p90 -67.42 -13.61 62.18 Favored 'General case' 0 CA--C 1.535 0.401 0 N-CA-C 114.709 1.374 . . . . 0.0 114.709 -175.662 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 3.0 pt20 -112.5 -32.22 6.54 Favored 'General case' 0 N--CA 1.464 0.256 0 C-N-CA 123.42 0.688 . . . . 0.0 110.501 177.05 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 16' ' ' LEU . . . . . 0.406 HD11 HG21 ' B' ' 18' ' ' VAL . 0.2 OUTLIER -71.27 -31.6 67.69 Favored 'General case' 0 CA--C 1.547 0.857 0 CA-C-N 118.987 0.812 . . . . 0.0 111.456 -177.849 . . . . . . . . 3 3 . 1 . 023 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 29.2 mt-10 -50.74 -40.4 54.54 Favored 'General case' 0 N--CA 1.478 0.966 0 C-N-CA 124.961 1.304 . . . . 0.0 111.48 168.95 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 1.7 t-20 -59.71 -28.86 67.69 Favored 'General case' 0 CA--C 1.541 0.618 0 C-N-CA 124.551 1.14 . . . . 0.0 113.429 -171.098 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 88.3 m-85 -79.19 -9.7 59.63 Favored 'General case' 0 CA--C 1.544 0.716 0 C-N-CA 125.211 1.404 . . . . 0.0 113.627 179.425 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 12.9 t -70.21 -24.83 63.18 Favored 'General case' 0 CA--C 1.545 0.775 0 C-N-CA 123.872 0.869 . . . . 0.0 113.087 176.63 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 C--O 1.253 1.278 0 C-N-CA 126.17 1.788 . . . . 0.0 111.927 177.266 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' B' B ' 1' ' ' PHE . . . . . . . . . . . . . 51.0 t80 . . . . . 0 N--CA 1.485 1.312 0 CA-C-O 120.617 0.246 . . . . 0.0 110.792 . . . . . . . . . 0 0 . 1 . 023 nuclear build full ' B' B ' 2' ' ' VAL . . . . . . . . . . . . . 9.7 p -149.17 131.98 6.79 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.768 0 C-N-CA 125.28 1.432 . . . . 0.0 108.673 166.229 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' B' B ' 3' ' ' ASN . . . . . . . . . . . . . 72.1 m-20 -60.76 121.24 11.78 Favored 'General case' 0 CA--C 1.533 0.314 0 N-CA-C 109.66 -0.496 . . . . 0.0 109.66 173.814 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' B' B ' 4' ' ' GLN . . . . . . . . . . . . . 18.3 pt20 -156.24 177.21 11.7 Favored 'General case' 0 CA--C 1.532 0.275 0 CA-C-O 121.675 0.75 . . . . 0.0 111.527 -168.528 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' B' B ' 5' ' ' HIS . . . . . . . . . . . . . 76.6 m80 -79.04 125.92 30.03 Favored 'General case' 0 CA--C 1.544 0.738 0 C-N-CA 124.289 1.036 . . . . 0.0 109.981 170.667 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 88.5 mt -136.7 133.41 36.1 Favored 'General case' 0 N--CA 1.472 0.666 0 C-N-CA 124.233 1.013 . . . . 0.0 111.214 -175.481 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' B' B ' 7' ' ' CYS . . . . . . . . . . . . . 2.3 t -157.9 145.83 18.68 Favored 'General case' 0 CA--C 1.535 0.389 0 C-N-CA 123.766 0.826 . . . . 0.0 111.133 179.718 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' B' B ' 8' ' ' GLY . . . . . . . . . . . . . . . 61.38 -125.9 38.62 Favored Glycine 0 N--CA 1.47 0.923 0 C-N-CA 123.779 0.704 . . . . 0.0 112.958 179.813 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' B' B ' 9' ' ' SER . . . . . . . . . . . . . 5.8 p -50.36 -44.31 54.56 Favored 'General case' 0 N--CA 1.471 0.593 0 C-N-CA 125.144 1.378 . . . . 0.0 112.794 175.569 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' B' B ' 10' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -63.74 -35.55 80.94 Favored 'General case' 0 N--CA 1.47 0.551 0 O-C-N 121.366 -0.834 . . . . 0.0 112.606 179.083 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 14.7 tp -71.65 -45.02 63.27 Favored 'General case' 0 CA--C 1.536 0.419 0 C-N-CA 123.989 0.916 . . . . 0.0 110.875 177.976 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 81.5 t -59.97 -43.71 93.0 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.012 0 C-N-CA 123.859 0.864 . . . . 0.0 111.113 173.717 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 24.2 mt-10 -59.64 -45.96 90.43 Favored 'General case' 0 N--CA 1.465 0.306 0 C-N-CA 123.995 0.918 . . . . 0.0 112.225 174.194 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -61.86 -49.6 75.6 Favored 'General case' 0 N--CA 1.454 -0.243 0 CA-C-N 119.149 0.886 . . . . 0.0 111.516 177.97 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 3.8 mm? -54.61 -38.56 66.94 Favored 'General case' 0 N--CA 1.47 0.572 0 CA-C-N 119.008 0.822 . . . . 0.0 111.839 177.229 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' B' B ' 16' ' ' TYR . . . . . . . . . . . . . 71.9 t80 -61.24 -45.63 93.73 Favored 'General case' 0 CA--C 1.537 0.443 0 CA-C-N 118.931 0.787 . . . . 0.0 112.299 171.71 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 95.6 mt -67.43 -47.39 70.34 Favored 'General case' 0 CA--C 1.539 0.521 0 CA-C-N 119.096 0.862 . . . . 0.0 112.847 -179.653 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' B' B ' 18' ' ' VAL . . . . . 0.406 HG21 HD11 ' A' ' 16' ' ' LEU . 0.0 OUTLIER -78.79 -33.25 16.31 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.345 0 CA-C-N 118.735 0.698 . . . . 0.0 112.706 -175.726 . . . . . . . . 3 3 . 1 . 023 nuclear build full ' B' B ' 19' ' ' CYS . . . . . . . . . . . . . 28.9 t -115.47 -45.89 2.9 Favored 'General case' 0 CA--C 1.541 0.6 0 N-CA-C 114.25 1.204 . . . . 0.0 114.25 -174.146 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . -79.18 -47.41 7.55 Favored Glycine 0 N--CA 1.477 1.409 0 C-N-CA 123.596 0.617 . . . . 0.0 114.389 -164.724 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 32.1 tt0 -63.18 -31.89 73.15 Favored 'General case' 0 CA--C 1.539 0.547 0 C-N-CA 125.757 1.623 . . . . 0.0 112.151 -179.115 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' B' B ' 22' ' ' ARG . . . . . . . . . . . . . 3.0 mmp_? -54.43 -22.13 11.72 Favored 'General case' 0 CA--C 1.543 0.704 0 C-N-CA 126.182 1.793 . . . . 0.0 113.766 -176.031 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . -70.98 -25.27 76.09 Favored Glycine 0 CA--C 1.529 0.936 0 C-N-CA 125.475 1.512 . . . . 0.0 114.569 177.662 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' B' B ' 24' ' ' HIS . . . . . . . . . . . . . 22.5 p80 -122.51 -21.46 5.72 Favored 'General case' 0 CA--C 1.549 0.921 0 N-CA-C 115.118 1.525 . . . . 0.0 115.118 177.321 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' B' B ' 25' ' ' PHE . . . . . . . . . . . . . 74.9 t80 -153.93 123.26 6.55 Favored 'General case' 0 CA--C 1.537 0.459 0 C-N-CA 124.457 1.103 . . . . 0.0 111.989 -179.286 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' B' B ' 26' ' ' TYR . . . . . . . . . . . . . 40.8 t80 -102.65 151.13 22.72 Favored 'General case' 0 CA--C 1.54 0.585 0 C-N-CA 124.824 1.249 . . . . 0.0 112.59 177.377 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' B' B ' 27' ' ' THR . . . . . . . . . . . . . 34.0 p -135.33 126.95 17.63 Favored Pre-proline 0 N--CA 1.473 0.69 0 C-N-CA 125.939 1.696 . . . . 0.0 109.053 168.145 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' B' B ' 28' ' ' PRO . . . . . . . . . . . . . 61.5 Cg_endo -82.45 154.05 15.99 Favored 'Trans proline' 0 CA--C 1.537 0.655 0 C-N-CA 123.125 2.55 . . . . 0.0 111.005 178.71 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 29.6 ttpt 69.33 166.58 0.27 Allowed 'General case' 0 CA--C 1.555 1.151 0 C-N-CA 126.593 1.957 . . . . 0.0 113.459 179.595 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' B' B ' 30' ' ' THR . . . . . . . . . . . . . 10.6 m . . . . . 0 C--O 1.253 1.26 0 C-N-CA 125.695 1.598 . . . . 0.0 112.143 175.736 . . . . . . . . 0 0 . 1 . 024 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.487 2.089 0 CA-C-O 121.836 0.686 . . . . 0.0 112.922 . . . . . . . . . 0 0 . 1 . 024 nuclear build full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 7.5 tp -73.83 -40.64 53.54 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.229 0 C-N-CA 131.559 3.944 . . . . 0.0 113.406 -9.301 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 76.9 t -61.01 -43.81 96.91 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.175 0 C-N-CA 123.902 0.881 . . . . 0.0 111.094 -173.254 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 23.7 pt-20 -70.93 -5.99 35.04 Favored 'General case' 0 CA--C 1.547 0.864 0 N-CA-C 114.264 1.209 . . . . 0.0 114.264 176.595 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 36.3 tp60 -92.93 -52.69 4.48 Favored 'General case' 0 CA--C 1.54 0.558 0 CA-C-N 120.08 1.309 . . . . 0.0 110.892 165.075 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 65.4 m -90.51 -32.41 16.35 Favored 'General case' 0 N--CA 1.474 0.73 0 N-CA-C 116.144 1.905 . . . . 0.0 116.144 -167.683 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 18.3 t -75.7 -24.82 56.26 Favored 'General case' 0 N--CA 1.477 0.885 0 O-C-N 121.163 -0.961 . . . . 0.0 113.446 -178.088 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 6.5 t -95.19 -31.99 13.25 Favored 'General case' 0 N--CA 1.475 0.796 0 C-N-CA 125.388 1.475 . . . . 0.0 113.467 -177.006 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 59.2 m -146.99 171.43 15.26 Favored 'General case' 0 CA--C 1.543 0.708 0 C-N-CA 125.078 1.351 . . . . 0.0 112.189 -171.835 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 27.5 mm -56.97 125.43 12.91 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.819 0 O-C-N 121.215 -0.928 . . . . 0.0 109.177 167.899 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 18.1 p -117.02 150.42 38.64 Favored 'General case' 0 CA--C 1.534 0.342 0 CA-C-O 121.574 0.702 . . . . 0.0 111.822 168.147 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 13.5 m -107.09 152.48 23.97 Favored 'General case' 0 N--CA 1.469 0.514 0 C-N-CA 123.788 0.835 . . . . 0.0 112.68 -172.31 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 13' ' ' LEU . . . . . 0.551 ' H ' HD23 ' A' ' 13' ' ' LEU . 1.6 pt? -57.28 -40.01 76.87 Favored 'General case' 0 N--CA 1.467 0.383 0 O-C-N 121.533 -0.729 . . . . 0.0 111.885 -174.305 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 21.1 p90 -69.71 -10.28 57.69 Favored 'General case' 0 CA--C 1.537 0.48 0 C-N-CA 125.054 1.342 . . . . 0.0 114.589 -176.3 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 3.6 pt20 -118.9 -30.94 4.92 Favored 'General case' 0 C--O 1.222 -0.393 0 C-N-CA 123.786 0.834 . . . . 0.0 111.003 -179.784 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 16' ' ' LEU . . . . . 0.438 HD11 HG21 ' B' ' 18' ' ' VAL . 0.2 OUTLIER -70.68 -33.14 70.6 Favored 'General case' 0 CA--C 1.549 0.92 0 CA-C-N 119.324 0.965 . . . . 0.0 111.145 176.181 . . . . . . . . 3 3 . 1 . 024 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 14.6 mt-10 -47.99 -35.99 11.91 Favored 'General case' 0 N--CA 1.479 0.996 0 C-N-CA 126.147 1.779 . . . . 0.0 112.811 170.141 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 81.0 m-20 -61.63 -18.44 59.46 Favored 'General case' 0 CA--C 1.539 0.547 0 C-N-CA 124.809 1.244 . . . . 0.0 113.519 -173.934 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 88.5 m-85 -99.49 1.93 44.45 Favored 'General case' 0 CA--C 1.546 0.809 0 C-N-CA 126.37 1.868 . . . . 0.0 113.679 -176.188 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 49.0 t -67.1 -33.67 75.98 Favored 'General case' 0 N--CA 1.474 0.729 0 N-CA-C 113.168 0.803 . . . . 0.0 113.168 176.113 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--O 1.253 1.268 0 C-N-CA 125.763 1.625 . . . . 0.0 113.037 176.754 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' B' B ' 1' ' ' PHE . . . . . . . . . . . . . 56.3 t80 . . . . . 0 N--CA 1.486 1.358 0 N-CA-C 110.77 -0.085 . . . . 0.0 110.77 . . . . . . . . . 0 0 . 1 . 024 nuclear build full ' B' B ' 2' ' ' VAL . . . . . . . . . . . . . 11.5 p -143.98 131.96 18.14 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.805 0 C-N-CA 125.001 1.321 . . . . 0.0 109.112 166.938 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' B' B ' 3' ' ' ASN . . . . . . . . . . . . . 72.0 m-20 -61.07 121.77 13.3 Favored 'General case' 0 CA--C 1.533 0.324 0 N-CA-C 109.597 -0.52 . . . . 0.0 109.597 173.531 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' B' B ' 4' ' ' GLN . . . . . . . . . . . . . 21.0 pt20 -157.27 177.93 10.91 Favored 'General case' 0 CA--C 1.532 0.276 0 CA-C-O 121.638 0.732 . . . . 0.0 111.528 -169.177 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' B' B ' 5' ' ' HIS . . . . . . . . . . . . . 76.7 m80 -81.63 129.53 34.73 Favored 'General case' 0 CA--C 1.544 0.72 0 C-N-CA 124.105 0.962 . . . . 0.0 110.087 169.865 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' B' B ' 6' ' ' LEU . . . . . 0.454 HD13 ' CB ' ' B' ' 14' ' ' ALA . 74.8 mt -139.52 133.12 30.4 Favored 'General case' 0 N--CA 1.471 0.582 0 C-N-CA 124.532 1.133 . . . . 0.0 111.19 -172.76 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' B' B ' 7' ' ' CYS . . . . . . . . . . . . . 1.6 t -156.09 147.48 22.61 Favored 'General case' 0 N--CA 1.468 0.473 0 C-N-CA 123.589 0.756 . . . . 0.0 111.385 179.22 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' B' B ' 8' ' ' GLY . . . . . . . . . . . . . . . 59.9 -128.88 47.32 Favored Glycine 0 N--CA 1.471 1.027 0 C-N-CA 123.919 0.771 . . . . 0.0 112.548 -179.19 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' B' B ' 9' ' ' SER . . . . . . . . . . . . . 20.4 m -55.5 -36.04 66.23 Favored 'General case' 0 N--CA 1.471 0.619 0 C-N-CA 124.558 1.143 . . . . 0.0 113.014 178.946 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' B' B ' 10' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -64.11 -36.92 85.62 Favored 'General case' 0 CA--C 1.541 0.631 0 O-C-N 121.26 -0.9 . . . . 0.0 112.322 175.593 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 15.8 tp -73.17 -42.13 63.1 Favored 'General case' 0 CA--C 1.536 0.418 0 C-N-CA 124.434 1.094 . . . . 0.0 111.256 178.135 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 91.4 t -59.44 -43.11 89.74 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.044 0 C-N-CA 124.021 0.928 . . . . 0.0 111.138 171.636 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 15.7 mm-40 -60.63 -49.6 76.89 Favored 'General case' 0 C--O 1.223 -0.318 0 CA-C-O 118.536 -0.745 . . . . 0.0 111.582 171.69 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' B' B ' 14' ' ' ALA . . . . . 0.544 ' O ' HG22 ' B' ' 18' ' ' VAL . . . -54.54 -49.22 70.79 Favored 'General case' 0 CA--C 1.531 0.238 0 CA-C-N 120.189 1.359 . . . . 0.0 111.905 179.698 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 4.0 mm? -54.65 -38.65 67.15 Favored 'General case' 0 N--CA 1.471 0.608 0 CA-C-N 119.031 0.832 . . . . 0.0 112.201 174.802 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' B' B ' 16' ' ' TYR . . . . . . . . . . . . . 76.2 t80 -64.34 -41.93 96.53 Favored 'General case' 0 CA--C 1.543 0.68 0 O-C-N 121.306 -0.871 . . . . 0.0 112.586 171.218 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 90.9 mt -68.99 -46.48 67.95 Favored 'General case' 0 CA--C 1.537 0.48 0 O-C-N 121.278 -0.889 . . . . 0.0 112.8 -178.965 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' B' B ' 18' ' ' VAL . . . . . 0.544 HG22 ' O ' ' B' ' 14' ' ' ALA . 0.0 OUTLIER -71.2 -48.96 51.69 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.117 0 CA-C-N 118.451 0.569 . . . . 0.0 111.699 177.273 . . . . . . . . 3 3 . 1 . 024 nuclear build full ' B' B ' 19' ' ' CYS . . . . . . . . . . . . . 17.2 t -109.71 -42.64 4.22 Favored 'General case' 0 N--CA 1.47 0.542 0 N-CA-C 113.738 1.014 . . . . 0.0 113.738 -167.957 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . -70.19 -36.56 71.44 Favored Glycine 0 N--CA 1.477 1.371 0 CA-C-N 118.778 0.717 . . . . 0.0 113.821 -170.2 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 8.9 mm-40 -59.54 -20.11 53.2 Favored 'General case' 0 CA--C 1.543 0.681 0 C-N-CA 126.599 1.959 . . . . 0.0 113.938 175.98 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' B' B ' 22' ' ' ARG . . . . . . . . . . . . . 92.9 mtt180 -76.21 -15.39 60.05 Favored 'General case' 0 CA--C 1.543 0.69 0 C-N-CA 124.122 0.969 . . . . 0.0 113.346 178.249 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . 85.96 133.13 3.16 Favored Glycine 0 CA--C 1.53 1.023 0 C-N-CA 125.823 1.677 . . . . 0.0 113.039 176.924 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' B' B ' 24' ' ' HIS . . . . . . . . . . . . . 91.4 m-70 -133.94 -0.52 3.09 Favored 'General case' 0 CA--C 1.551 0.999 0 C-N-CA 124.978 1.311 . . . . 0.0 114.054 -175.791 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' B' B ' 25' ' ' PHE . . . . . . . . . . . . . 76.5 t80 -163.48 148.02 10.84 Favored 'General case' 0 CA--C 1.538 0.506 0 C-N-CA 126.204 1.801 . . . . 0.0 110.819 -176.74 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' B' B ' 26' ' ' TYR . . . . . . . . . . . . . 5.1 t80 -146.57 147.63 31.31 Favored 'General case' 0 CA--C 1.541 0.599 0 C-N-CA 125.396 1.478 . . . . 0.0 112.082 174.973 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' B' B ' 27' ' ' THR . . . . . 0.529 ' H ' ' CA ' ' B' ' 28' ' ' PRO . 4.9 t -157.52 -8.12 0.0 OUTLIER Pre-proline 0 CA--C 1.553 1.09 0 N-CA-C 118.012 2.597 . . . . 0.0 118.012 -179.956 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' B' B ' 28' ' ' PRO . . . . . 0.529 ' CA ' ' H ' ' B' ' 27' ' ' THR . 72.8 Cg_endo -71.14 160.03 92.74 Favored 'Cis proline' 0 C--N 1.361 1.2 0 CA-C-N 125.169 2.882 . . . . 0.0 113.186 -3.172 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 6.1 ttpp -77.32 21.72 0.24 Allowed 'General case' 0 CA--C 1.556 1.183 0 N-CA-C 114.564 1.32 . . . . 0.0 114.564 -177.825 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' B' B ' 30' ' ' THR . . . . . . . . . . . . . 27.1 m . . . . . 0 N--CA 1.488 1.466 0 C-N-CA 130.254 3.422 . . . . 0.0 111.024 -176.445 . . . . . . . . 0 0 . 1 . 025 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.479 1.541 0 CA-C-O 120.205 -0.219 . . . . 0.0 112.754 . . . . . . . . . 0 0 . 1 . 025 nuclear build full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 8.6 tp -66.64 -34.35 69.49 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.209 0 N-CA-C 114.479 1.288 . . . . 0.0 114.479 -168.886 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 89.5 t -63.31 -40.9 90.78 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.004 0 CA-C-N 119.179 0.9 . . . . 0.0 109.892 -179.839 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 2.6 mp0 -71.69 1.86 6.15 Favored 'General case' 0 CA--C 1.547 0.832 0 C-N-CA 125.351 1.46 . . . . 0.0 113.686 175.587 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 16.6 tp60 -113.05 -51.85 2.81 Favored 'General case' 0 CA--C 1.538 0.511 0 C-N-CA 124.664 1.185 . . . . 0.0 111.49 169.528 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 1.6 t -100.26 -21.91 15.31 Favored 'General case' 0 N--CA 1.472 0.647 0 N-CA-C 115.221 1.563 . . . . 0.0 115.221 -168.188 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 21.5 t -78.19 -29.62 48.54 Favored 'General case' 0 N--CA 1.477 0.878 0 O-C-N 120.854 -1.153 . . . . 0.0 112.687 169.48 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 6.5 t -85.53 -32.12 22.35 Favored 'General case' 0 N--CA 1.476 0.829 0 C-N-CA 124.926 1.29 . . . . 0.0 113.022 177.628 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 5.5 t -150.61 -175.07 4.96 Favored 'General case' 0 CA--C 1.543 0.707 0 C-N-CA 124.154 0.981 . . . . 0.0 112.712 -175.93 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 29.6 mm -66.31 137.0 25.72 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.59 0 O-C-N 120.804 -1.185 . . . . 0.0 110.054 172.764 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 15.4 p -122.79 154.87 37.63 Favored 'General case' 0 N--CA 1.471 0.58 0 CA-C-O 121.875 0.845 . . . . 0.0 112.839 161.513 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 19.2 m -107.36 151.23 25.78 Favored 'General case' 0 N--CA 1.469 0.483 0 C-N-CA 125.054 1.342 . . . . 0.0 111.636 179.258 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 13' ' ' LEU . . . . . 0.493 ' H ' HD23 ' A' ' 13' ' ' LEU . 1.8 pt? -59.22 -39.0 81.33 Favored 'General case' 0 N--CA 1.465 0.31 0 O-C-N 121.28 -0.887 . . . . 0.0 112.138 -174.037 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 18.3 p90 -69.51 -13.21 62.22 Favored 'General case' 0 CA--C 1.535 0.382 0 C-N-CA 125.067 1.347 . . . . 0.0 114.093 -174.418 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 4.0 pt20 -113.21 -30.83 6.82 Favored 'General case' 0 C--O 1.222 -0.37 0 C-N-CA 124.144 0.978 . . . . 0.0 110.515 177.009 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 16' ' ' LEU . . . . . 0.496 HD11 HG21 ' B' ' 18' ' ' VAL . 0.3 OUTLIER -71.17 -26.84 63.15 Favored 'General case' 0 CA--C 1.546 0.826 0 CA-C-N 120.134 1.334 . . . . 0.0 112.173 -179.57 . . . . . . . . 3 3 . 1 . 025 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 31.8 mt-10 -50.23 -36.21 30.06 Favored 'General case' 0 N--CA 1.479 1.021 0 C-N-CA 124.157 0.983 . . . . 0.0 111.984 169.494 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 62.2 m-20 -61.46 -24.54 66.63 Favored 'General case' 0 CA--C 1.54 0.59 0 C-N-CA 124.721 1.208 . . . . 0.0 112.908 -172.119 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 86.2 m-85 -88.46 -6.98 57.3 Favored 'General case' 0 CA--C 1.542 0.637 0 C-N-CA 126.304 1.841 . . . . 0.0 113.482 -176.737 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 19.0 t -68.42 -28.99 67.57 Favored 'General case' 0 CA--C 1.544 0.733 0 C-N-CA 123.715 0.806 . . . . 0.0 113.001 176.466 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--O 1.255 1.349 0 C-N-CA 127.308 2.243 . . . . 0.0 112.423 177.131 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' B' B ' 1' ' ' PHE . . . . . . . . . . . . . 69.3 t80 . . . . . 0 N--CA 1.487 1.379 0 N-CA-C 110.717 -0.105 . . . . 0.0 110.717 . . . . . . . . . 0 0 . 1 . 025 nuclear build full ' B' B ' 2' ' ' VAL . . . . . . . . . . . . . 84.0 t -132.95 124.67 50.68 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.977 0 C-N-CA 125.129 1.371 . . . . 0.0 108.472 170.346 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' B' B ' 3' ' ' ASN . . . . . . . . . . . . . 9.0 m120 -62.3 111.81 2.15 Favored 'General case' 0 CA--C 1.537 0.449 0 C-N-CA 124.234 1.013 . . . . 0.0 109.974 173.901 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' B' B ' 4' ' ' GLN . . . . . . . . . . . . . 11.9 pt20 -156.98 175.94 13.43 Favored 'General case' 0 CA--C 1.535 0.368 0 C-N-CA 123.577 0.751 . . . . 0.0 111.268 -170.863 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' B' B ' 5' ' ' HIS . . . . . . . . . . . . . 70.5 m80 -81.49 127.72 33.12 Favored 'General case' 0 CA--C 1.546 0.791 0 C-N-CA 124.446 1.098 . . . . 0.0 109.915 168.91 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 93.6 mt -132.12 136.31 47.04 Favored 'General case' 0 N--CA 1.47 0.55 0 C-N-CA 125.231 1.412 . . . . 0.0 110.639 -175.599 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' B' B ' 7' ' ' CYS . . . . . . . . . . . . . 2.0 t -154.83 147.34 24.12 Favored 'General case' 0 N--CA 1.469 0.498 0 O-C-N 121.601 -0.687 . . . . 0.0 111.792 -179.672 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' B' B ' 8' ' ' GLY . . . . . . . . . . . . . . . 59.38 -128.42 47.1 Favored Glycine 0 CA--C 1.53 0.981 0 C-N-CA 123.917 0.77 . . . . 0.0 112.259 -179.582 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' B' B ' 9' ' ' SER . . . . . . . . . . . . . 20.3 m -53.57 -39.36 64.73 Favored 'General case' 0 N--CA 1.47 0.557 0 C-N-CA 124.568 1.147 . . . . 0.0 112.682 178.589 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' B' B ' 10' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -62.83 -37.42 86.71 Favored 'General case' 0 CA--C 1.543 0.699 0 O-C-N 121.247 -0.908 . . . . 0.0 112.562 177.899 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 15.3 tp -73.58 -43.15 60.48 Favored 'General case' 0 CA--C 1.535 0.394 0 C-N-CA 124.411 1.085 . . . . 0.0 110.967 177.842 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 75.1 t -59.79 -43.6 92.11 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.987 0 C-N-CA 124.03 0.932 . . . . 0.0 111.267 173.291 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 23.4 mt-10 -59.05 -45.54 90.51 Favored 'General case' 0 N--CA 1.466 0.333 0 C-N-CA 124.19 0.996 . . . . 0.0 112.188 173.633 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -61.12 -49.16 78.41 Favored 'General case' 0 CA--C 1.534 0.33 0 CA-C-N 119.0 0.818 . . . . 0.0 111.532 176.971 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 3.9 mm? -55.49 -39.6 70.63 Favored 'General case' 0 N--CA 1.47 0.567 0 CA-C-N 118.7 0.682 . . . . 0.0 112.028 176.667 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' B' B ' 16' ' ' TYR . . . . . . . . . . . . . 84.1 t80 -60.25 -45.11 94.4 Favored 'General case' 0 N--CA 1.466 0.372 0 CA-C-N 119.073 0.851 . . . . 0.0 112.216 172.374 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 96.3 mt -65.09 -50.45 66.06 Favored 'General case' 0 CA--C 1.539 0.551 0 CA-C-N 118.725 0.693 . . . . 0.0 111.925 179.321 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' B' B ' 18' ' ' VAL . . . . . 0.496 HG21 HD11 ' A' ' 16' ' ' LEU . 0.0 OUTLIER -76.64 -37.94 29.98 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.287 0 CA-C-N 118.701 0.682 . . . . 0.0 112.455 -174.308 . . . . . . . . 3 3 . 1 . 025 nuclear build full ' B' B ' 19' ' ' CYS . . . . . . . . . . . . . 28.6 t -104.34 -39.19 6.55 Favored 'General case' 0 CA--C 1.538 0.508 0 N-CA-C 113.64 0.978 . . . . 0.0 113.64 -172.361 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . -84.18 -54.36 3.04 Favored Glycine 0 N--CA 1.472 1.082 0 C-N-CA 124.317 0.96 . . . . 0.0 113.136 -173.735 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 37.2 tt0 -75.79 -48.48 21.49 Favored 'General case' 0 CA--C 1.539 0.525 0 C-N-CA 124.745 1.218 . . . . 0.0 111.291 -179.062 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' B' B ' 22' ' ' ARG . . . . . . . . . . . . . 28.9 ttt-85 38.24 59.25 1.45 Allowed 'General case' 0 CA--C 1.541 0.603 0 C-N-CA 127.409 2.284 . . . . 0.0 115.435 170.553 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . -62.73 155.42 41.48 Favored Glycine 0 CA--C 1.535 1.295 0 C-N-CA 124.93 1.253 . . . . 0.0 113.486 -179.43 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' B' B ' 24' ' ' HIS . . . . . . . . . . . . . 99.3 m-70 -63.95 145.04 56.57 Favored 'General case' 0 CA--C 1.546 0.822 0 N-CA-C 114.279 1.214 . . . . 0.0 114.279 -172.836 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' B' B ' 25' ' ' PHE . . . . . . . . . . . . . 73.9 t80 -163.1 155.51 18.46 Favored 'General case' 0 CA--C 1.542 0.656 0 C-N-CA 126.535 1.934 . . . . 0.0 110.633 -179.349 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' B' B ' 26' ' ' TYR . . . . . . . . . . . . . 59.2 t80 -67.31 150.4 49.06 Favored 'General case' 0 CA--C 1.544 0.722 0 N-CA-C 113.69 0.996 . . . . 0.0 113.69 -179.136 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' B' B ' 27' ' ' THR . . . . . . . . . . . . . 18.1 p -129.48 117.18 18.62 Favored Pre-proline 0 N--CA 1.473 0.677 0 C-N-CA 125.633 1.573 . . . . 0.0 109.557 174.313 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' B' B ' 28' ' ' PRO . . . . . . . . . . . . . 44.6 Cg_endo -80.82 63.46 8.78 Favored 'Trans proline' 0 CA--C 1.54 0.816 0 C-N-CA 124.41 3.407 . . . . 0.0 111.35 -179.683 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 61.1 tttt 70.1 23.73 5.21 Favored 'General case' 0 CA--C 1.552 1.053 0 C-N-CA 127.112 2.165 . . . . 0.0 113.114 179.065 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' B' B ' 30' ' ' THR . . . . . . . . . . . . . 7.5 m . . . . . 0 C--O 1.253 1.253 0 C-N-CA 127.294 2.237 . . . . 0.0 113.02 179.483 . . . . . . . . 0 0 . 1 . 026 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.482 1.732 0 N-CA-C 112.37 -0.292 . . . . 0.0 112.37 . . . . . . . . . 0 0 . 1 . 026 nuclear build full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 7.7 tp -58.06 -32.51 44.11 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.322 0 C-N-CA 125.36 1.464 . . . . 0.0 114.156 -172.345 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 60.5 t -61.66 -35.1 65.24 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.989 0 C-N-CA 123.759 0.824 . . . . 0.0 110.985 176.688 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 41.9 mt-10 -77.05 -8.41 57.4 Favored 'General case' 0 CA--C 1.545 0.752 0 C-N-CA 124.345 1.058 . . . . 0.0 112.486 176.226 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 13.0 tp60 -99.35 -40.17 8.04 Favored 'General case' 0 CA--C 1.539 0.526 0 C-N-CA 124.527 1.131 . . . . 0.0 111.93 176.066 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -119.49 -17.35 8.75 Favored 'General case' 0 N--CA 1.481 1.075 0 N-CA-C 117.327 2.343 . . . . 0.0 117.327 -172.679 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 35.0 t -89.44 -32.03 17.43 Favored 'General case' 0 N--CA 1.478 0.973 0 N-CA-C 113.72 1.008 . . . . 0.0 113.72 177.441 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 6.5 t -69.0 -40.35 78.8 Favored 'General case' 0 N--CA 1.481 1.081 0 C-N-CA 124.186 0.994 . . . . 0.0 111.951 175.331 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 9' ' ' SER . . . . . 0.447 ' HA ' ' CE1' ' B' ' 5' ' ' HIS . 5.7 t -166.44 -174.6 2.91 Favored 'General case' 0 CA--C 1.534 0.354 0 C-N-CA 127.768 2.427 . . . . 0.0 109.789 173.44 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 16.9 mt -71.84 136.79 24.98 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.461 0 C-N-CA 124.381 1.072 . . . . 0.0 112.971 -163.137 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 13.9 p -115.46 163.28 15.97 Favored 'General case' 0 CA--C 1.539 0.535 0 C-N-CA 124.562 1.145 . . . . 0.0 113.036 169.11 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 63.9 m -108.19 157.47 18.29 Favored 'General case' 0 N--CA 1.47 0.561 0 C-N-CA 125.04 1.336 . . . . 0.0 112.676 173.742 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 13' ' ' LEU . . . . . 0.503 ' H ' HD23 ' A' ' 13' ' ' LEU . 1.5 pt? -58.56 -38.74 78.5 Favored 'General case' 0 N--CA 1.463 0.221 0 C-N-CA 123.83 0.852 . . . . 0.0 112.657 -173.084 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 25.0 p90 -70.5 -11.84 61.18 Favored 'General case' 0 CA--C 1.536 0.437 0 C-N-CA 125.308 1.443 . . . . 0.0 114.314 -174.207 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 3.9 pt20 -120.63 -24.46 5.76 Favored 'General case' 0 CA--C 1.534 0.359 0 C-N-CA 124.322 1.049 . . . . 0.0 111.727 -177.116 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 16' ' ' LEU . . . . . 0.43 HD23 ' HA ' ' A' ' 13' ' ' LEU . 0.3 OUTLIER -73.73 -34.18 64.66 Favored 'General case' 0 CA--C 1.542 0.646 0 C-N-CA 124.252 1.021 . . . . 0.0 111.094 174.15 . . . . . . . . 3 3 . 1 . 026 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -73.15 -16.74 61.44 Favored 'General case' 0 N--CA 1.469 0.5 0 N-CA-C 113.704 1.001 . . . . 0.0 113.704 -177.897 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -57.76 -26.35 61.74 Favored 'General case' 0 CA--C 1.544 0.746 0 C-N-CA 123.993 0.917 . . . . 0.0 112.07 168.602 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 88.7 m-85 -87.59 0.31 55.81 Favored 'General case' 0 CA--C 1.545 0.756 0 C-N-CA 125.229 1.411 . . . . 0.0 113.785 179.104 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 51.2 t -58.03 -43.25 86.67 Favored 'General case' 0 N--CA 1.47 0.556 0 C-N-CA 123.767 0.827 . . . . 0.0 113.005 -178.174 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 17.4 m120 . . . . . 0 C--O 1.253 1.28 0 C-N-CA 124.954 1.301 . . . . 0.0 112.421 -173.991 . . . . . . . . 0 0 . 1 . 026 nuclear build full ' B' B ' 1' ' ' PHE . . . . . . . . . . . . . 74.3 t80 . . . . . 0 N--CA 1.487 1.382 0 CA-C-O 119.818 -0.134 . . . . 0.0 110.702 . . . . . . . . . 0 0 . 1 . 026 nuclear build full ' B' B ' 2' ' ' VAL . . . . . . . . . . . . . 91.8 t -132.57 123.74 50.04 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.043 0 C-N-CA 124.957 1.303 . . . . 0.0 108.332 170.313 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' B' B ' 3' ' ' ASN . . . . . . . . . . . . . 5.1 m120 -67.73 111.44 4.26 Favored 'General case' 0 CA--C 1.543 0.676 0 C-N-CA 124.55 1.14 . . . . 0.0 109.316 175.911 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' B' B ' 4' ' ' GLN . . . . . . . . . . . . . 15.1 pt20 -157.27 179.79 8.93 Favored 'General case' 0 CA--C 1.537 0.451 0 C-N-CA 124.677 1.191 . . . . 0.0 111.751 -170.392 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' B' B ' 5' ' ' HIS . . . . . 0.447 ' CE1' ' HA ' ' A' ' 9' ' ' SER . 88.6 m-70 -80.63 127.36 32.38 Favored 'General case' 0 CA--C 1.541 0.631 0 C-N-CA 124.397 1.079 . . . . 0.0 110.673 171.885 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 94.6 mt -134.55 136.84 43.32 Favored 'General case' 0 N--CA 1.47 0.574 0 C-N-CA 124.273 1.029 . . . . 0.0 110.738 -176.307 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' B' B ' 7' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -155.35 147.39 23.53 Favored 'General case' 0 N--CA 1.468 0.45 0 C-N-CA 123.734 0.814 . . . . 0.0 111.492 -178.381 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' B' B ' 8' ' ' GLY . . . . . . . . . . . . . . . 57.39 -124.61 36.51 Favored Glycine 0 CA--C 1.529 0.947 0 C-N-CA 124.069 0.842 . . . . 0.0 113.042 177.639 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' B' B ' 9' ' ' SER . . . . . . . . . . . . . 8.9 t -55.85 -40.03 72.3 Favored 'General case' 0 CA--C 1.541 0.621 0 C-N-CA 123.775 0.83 . . . . 0.0 112.391 178.29 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' B' B ' 10' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -63.08 -33.15 74.83 Favored 'General case' 0 N--CA 1.473 0.709 0 O-C-N 120.798 -1.188 . . . . 0.0 112.805 177.074 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 14.3 tp -74.22 -43.56 56.63 Favored 'General case' 0 CA--C 1.538 0.493 0 C-N-CA 124.865 1.266 . . . . 0.0 110.847 178.047 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 86.9 t -61.2 -42.66 94.25 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.162 0 C-N-CA 124.111 0.965 . . . . 0.0 111.265 172.034 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 25.2 mt-10 -57.88 -47.43 82.78 Favored 'General case' 0 N--CA 1.465 0.277 0 C-N-CA 123.67 0.788 . . . . 0.0 111.654 172.628 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' B' B ' 14' ' ' ALA . . . . . 0.401 ' O ' HG23 ' B' ' 18' ' ' VAL . . . -59.74 -45.5 92.02 Favored 'General case' 0 CA--C 1.535 0.401 0 CA-C-N 119.39 0.995 . . . . 0.0 112.341 178.179 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 3.4 mm? -56.87 -38.07 72.23 Favored 'General case' 0 N--CA 1.468 0.47 0 CA-C-N 118.569 0.622 . . . . 0.0 112.169 174.63 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' B' B ' 16' ' ' TYR . . . . . . . . . . . . . 68.0 t80 -63.95 -43.49 95.65 Favored 'General case' 0 CA--C 1.538 0.5 0 CA-C-N 118.946 0.794 . . . . 0.0 111.901 172.991 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 97.4 mt -65.3 -43.55 90.73 Favored 'General case' 0 CA--C 1.533 0.31 0 CA-C-O 118.544 -0.741 . . . . 0.0 112.58 -179.782 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' B' B ' 18' ' ' VAL . . . . . 0.401 HG23 ' O ' ' B' ' 14' ' ' ALA . 0.2 OUTLIER -78.21 -51.32 17.83 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.059 0 CA-C-N 118.967 0.803 . . . . 0.0 111.755 178.46 . . . . . . . . 3 3 . 1 . 026 nuclear build full ' B' B ' 19' ' ' CYS . . . . . . . . . . . . . 34.2 t -98.25 -39.53 8.8 Favored 'General case' 0 CA--C 1.541 0.606 0 N-CA-C 113.487 0.921 . . . . 0.0 113.487 -166.898 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . -78.85 -35.69 30.71 Favored Glycine 0 N--CA 1.474 1.231 0 C-N-CA 124.334 0.968 . . . . 0.0 114.235 -171.845 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 7.3 mm-40 -62.25 -14.64 40.6 Favored 'General case' 0 CA--C 1.545 0.755 0 C-N-CA 125.839 1.655 . . . . 0.0 113.967 175.793 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' B' B ' 22' ' ' ARG . . . . . . . . . . . . . 97.3 mtt180 -67.66 -25.47 65.73 Favored 'General case' 0 CA--C 1.541 0.613 0 C-N-CA 124.592 1.157 . . . . 0.0 113.157 176.305 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . 73.53 -177.84 43.06 Favored Glycine 0 CA--C 1.531 1.055 0 C-N-CA 124.732 1.158 . . . . 0.0 113.129 -174.557 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' B' B ' 24' ' ' HIS . . . . . . . . . . . . . 89.2 m-70 73.39 -41.28 0.49 Allowed 'General case' 0 N--CA 1.482 1.152 0 C-N-CA 128.43 2.692 . . . . 0.0 114.846 173.862 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' B' B ' 25' ' ' PHE . . . . . . . . . . . . . 87.2 t80 -162.17 133.93 5.42 Favored 'General case' 0 CA--C 1.539 0.522 0 C-N-CA 126.079 1.751 . . . . 0.0 111.115 177.577 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' B' B ' 26' ' ' TYR . . . . . . . . . . . . . 41.4 t80 -154.7 150.9 28.12 Favored 'General case' 0 CA--C 1.541 0.619 0 C-N-CA 126.327 1.851 . . . . 0.0 110.875 178.064 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' B' B ' 27' ' ' THR . . . . . . . . . . . . . 3.2 p -126.28 97.6 34.15 Favored Pre-proline 0 N--CA 1.473 0.683 0 C-N-CA 125.849 1.66 . . . . 0.0 109.571 -178.909 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' B' B ' 28' ' ' PRO . . . . . . . . . . . . . 86.4 Cg_endo -76.51 172.35 16.38 Favored 'Trans proline' 0 C--N 1.352 0.722 0 C-N-CA 123.964 3.109 . . . . 0.0 112.001 179.678 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 63.0 tttm -142.37 144.71 33.28 Favored 'General case' 0 CA--C 1.548 0.866 0 C-N-CA 124.922 1.289 . . . . 0.0 112.22 177.988 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' B' B ' 30' ' ' THR . . . . . . . . . . . . . 24.2 m . . . . . 0 C--O 1.251 1.172 0 C-N-CA 125.894 1.677 . . . . 0.0 111.474 168.602 . . . . . . . . 0 0 . 1 . 027 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.482 1.725 0 N-CA-C 112.501 -0.24 . . . . 0.0 112.501 . . . . . . . . . 0 0 . 1 . 027 nuclear build full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 7.1 tp -57.97 -34.39 48.64 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.294 0 C-N-CA 125.502 1.521 . . . . 0.0 113.967 -172.371 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 88.3 t -62.46 -35.41 69.72 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.994 0 C-N-CA 123.793 0.837 . . . . 0.0 111.214 176.531 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 41.3 mt-10 -78.41 -8.34 58.37 Favored 'General case' 0 CA--C 1.544 0.743 0 C-N-CA 124.297 1.039 . . . . 0.0 112.521 177.092 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 10.4 tp60 -97.34 -43.11 7.45 Favored 'General case' 0 CA--C 1.538 0.504 0 C-N-CA 124.4 1.08 . . . . 0.0 111.505 173.203 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 97.5 m -112.58 -24.64 9.56 Favored 'General case' 0 N--CA 1.475 0.813 0 N-CA-C 116.462 2.023 . . . . 0.0 116.462 -168.736 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 42.2 t -86.48 -36.32 19.11 Favored 'General case' 0 N--CA 1.48 1.044 0 CA-C-N 119.989 1.268 . . . . 0.0 113.588 -179.836 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 5.3 t -75.15 -27.33 59.68 Favored 'General case' 0 N--CA 1.478 0.961 0 C-N-CA 124.564 1.146 . . . . 0.0 113.336 179.765 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 98.6 p -166.58 168.69 14.37 Favored 'General case' 0 N--CA 1.468 0.429 0 C-N-CA 126.784 2.033 . . . . 0.0 110.638 -174.137 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 14.2 mt -73.79 126.04 33.88 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.513 0 O-C-N 121.44 -0.787 . . . . 0.0 111.391 -172.45 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 29.2 p -104.65 154.03 20.47 Favored 'General case' 0 CA--C 1.535 0.375 0 C-N-CA 124.825 1.25 . . . . 0.0 112.05 172.78 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 70.4 m -93.06 153.46 18.68 Favored 'General case' 0 N--CA 1.469 0.521 0 C-N-CA 123.567 0.747 . . . . 0.0 111.913 171.769 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 13' ' ' LEU . . . . . 0.611 ' H ' HD23 ' A' ' 13' ' ' LEU . 1.4 pt? -57.95 -42.81 85.73 Favored 'General case' 0 N--CA 1.463 0.224 0 C-N-CA 123.864 0.866 . . . . 0.0 112.106 -176.28 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 21.4 p90 -68.31 -15.32 63.52 Favored 'General case' 0 CA--C 1.536 0.441 0 C-N-CA 124.735 1.214 . . . . 0.0 114.204 -172.962 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 3.9 pt20 -109.72 -24.48 10.88 Favored 'General case' 0 N--CA 1.464 0.255 0 C-N-CA 124.051 0.94 . . . . 0.0 110.716 -179.613 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -76.44 -31.06 57.63 Favored 'General case' 0 CA--C 1.548 0.887 0 CA-C-N 118.992 0.815 . . . . 0.0 111.531 174.197 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 31.8 mt-10 -51.35 -37.58 48.65 Favored 'General case' 0 N--CA 1.481 1.124 0 C-N-CA 124.642 1.177 . . . . 0.0 111.833 171.429 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 6.6 m-80 -63.85 -15.24 58.43 Favored 'General case' 0 CA--C 1.547 0.861 0 C-N-CA 124.246 1.018 . . . . 0.0 113.582 -175.395 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 81.7 m-85 -88.53 -8.89 54.05 Favored 'General case' 0 CA--C 1.542 0.653 0 C-N-CA 125.037 1.335 . . . . 0.0 113.46 175.697 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 10.7 t -75.67 -25.41 56.75 Favored 'General case' 0 CA--C 1.545 0.779 0 C-N-CA 123.871 0.869 . . . . 0.0 112.856 174.758 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 35.5 m120 . . . . . 0 C--O 1.254 1.309 0 C-N-CA 125.817 1.647 . . . . 0.0 113.016 178.81 . . . . . . . . 0 0 . 1 . 027 nuclear build full ' B' B ' 1' ' ' PHE . . . . . . . . . . . . . 50.1 t80 . . . . . 0 N--CA 1.487 1.408 0 CA-C-O 119.619 -0.229 . . . . 0.0 110.699 . . . . . . . . . 0 0 . 1 . 027 nuclear build full ' B' B ' 2' ' ' VAL . . . . . . . . . . . . . 92.1 t -128.8 118.97 48.53 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.991 0 C-N-CA 124.892 1.277 . . . . 0.0 108.911 173.422 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' B' B ' 3' ' ' ASN . . . . . . . . . . . . . 68.5 m-20 -68.52 121.14 15.74 Favored 'General case' 0 CA--C 1.537 0.449 0 CA-C-O 121.213 0.53 . . . . 0.0 110.373 164.614 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' B' B ' 4' ' ' GLN . . . . . . . . . . . . . 10.3 pt20 -161.33 -175.85 5.06 Favored 'General case' 0 C--N 1.329 -0.287 0 C-N-CA 125.805 1.642 . . . . 0.0 109.793 -178.815 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' B' B ' 5' ' ' HIS . . . . . . . . . . . . . 79.7 m-70 -77.49 133.03 38.67 Favored 'General case' 0 CA--C 1.541 0.612 0 C-N-CA 123.689 0.795 . . . . 0.0 109.661 169.154 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 93.2 mt -137.8 120.63 16.42 Favored 'General case' 0 N--CA 1.466 0.34 0 C-N-CA 124.871 1.268 . . . . 0.0 110.29 -173.836 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' B' B ' 7' ' ' CYS . . . . . . . . . . . . . 57.8 m -136.24 140.98 43.89 Favored 'General case' 0 CA--C 1.537 0.473 0 C-N-CA 124.937 1.295 . . . . 0.0 110.109 -177.811 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' B' B ' 8' ' ' GLY . . . . . . . . . . . . . . . 57.4 -122.55 29.58 Favored Glycine 0 N--CA 1.472 1.064 0 C-N-CA 123.852 0.739 . . . . 0.0 113.137 172.972 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' B' B ' 9' ' ' SER . . . . . . . . . . . . . 8.8 t -55.81 -39.4 71.29 Favored 'General case' 0 CA--C 1.542 0.65 0 C-N-CA 123.906 0.882 . . . . 0.0 112.485 179.166 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' B' B ' 10' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -63.15 -37.26 86.51 Favored 'General case' 0 N--CA 1.473 0.688 0 O-C-N 120.778 -1.201 . . . . 0.0 112.326 176.214 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 19.7 tp -72.3 -42.53 65.39 Favored 'General case' 0 CA--C 1.536 0.42 0 C-N-CA 124.403 1.081 . . . . 0.0 111.144 178.153 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 69.2 t -59.78 -43.39 91.62 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.961 0 C-N-CA 124.016 0.926 . . . . 0.0 111.142 171.827 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 21.3 mt-10 -58.75 -45.23 90.2 Favored 'General case' 0 N--CA 1.467 0.402 0 C-N-CA 123.75 0.82 . . . . 0.0 112.343 173.534 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -61.02 -49.41 77.53 Favored 'General case' 0 N--CA 1.453 -0.295 0 CA-C-N 119.242 0.928 . . . . 0.0 111.492 176.588 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 3.9 mm? -55.13 -38.22 67.91 Favored 'General case' 0 N--CA 1.47 0.575 0 CA-C-N 119.009 0.822 . . . . 0.0 112.235 176.999 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' B' B ' 16' ' ' TYR . . . . . . . . . . . . . 52.5 t80 -61.72 -42.3 98.77 Favored 'General case' 0 CA--C 1.537 0.469 0 CA-C-N 119.208 0.913 . . . . 0.0 112.462 172.542 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 95.3 mt -70.33 -47.99 58.53 Favored 'General case' 0 CA--C 1.537 0.449 0 O-C-N 121.742 -0.599 . . . . 0.0 112.229 179.428 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' B' B ' 18' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -78.43 -38.07 22.27 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.221 0 CA-C-N 118.867 0.758 . . . . 0.0 112.587 -175.725 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' B' B ' 19' ' ' CYS . . . . . . . . . . . . . 25.9 t -106.18 -46.68 4.01 Favored 'General case' 0 CA--C 1.536 0.431 0 N-CA-C 112.532 0.568 . . . . 0.0 112.532 -174.465 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . -67.56 -52.53 29.73 Favored Glycine 0 N--CA 1.47 0.923 0 C-N-CA 123.874 0.749 . . . . 0.0 112.549 -171.802 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 35.3 tt0 -62.69 -38.57 90.91 Favored 'General case' 0 CA--C 1.541 0.597 0 C-N-CA 124.031 0.933 . . . . 0.0 112.156 179.959 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' B' B ' 22' ' ' ARG . . . . . . . . . . . . . 61.8 mtp180 -65.01 -32.0 73.52 Favored 'General case' 0 N--CA 1.474 0.733 0 O-C-N 121.683 -0.635 . . . . 0.0 112.272 174.088 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . -72.23 -35.47 60.47 Favored Glycine 0 CA--C 1.53 1.013 0 C-N-CA 124.924 1.25 . . . . 0.0 112.924 174.415 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' B' B ' 24' ' ' HIS . . . . . . . . . . . . . 29.6 m170 -68.13 -53.25 26.61 Favored 'General case' 0 CA--C 1.546 0.818 0 C-N-CA 124.038 0.935 . . . . 0.0 111.926 174.007 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' B' B ' 25' ' ' PHE . . . . . . . . . . . . . 70.2 t80 -174.01 109.11 0.14 Allowed 'General case' 0 CA--C 1.541 0.611 0 C-N-CA 126.834 2.054 . . . . 0.0 110.609 175.734 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' B' B ' 26' ' ' TYR . . . . . . . . . . . . . 37.6 t80 -84.23 147.82 27.05 Favored 'General case' 0 CA--C 1.543 0.709 0 C-N-CA 123.788 0.835 . . . . 0.0 112.584 171.079 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' B' B ' 27' ' ' THR . . . . . . . . . . . . . 18.8 p -113.55 99.29 49.31 Favored Pre-proline 0 N--CA 1.474 0.73 0 C-N-CA 126.283 1.833 . . . . 0.0 109.698 175.692 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' B' B ' 28' ' ' PRO . . . . . . . . . . . . . 98.4 Cg_endo -74.51 158.9 43.66 Favored 'Trans proline' 0 C--N 1.351 0.675 0 C-N-CA 123.196 2.597 . . . . 0.0 111.679 179.55 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 22.8 ptmt -159.75 164.37 33.89 Favored 'General case' 0 CA--C 1.546 0.803 0 C-N-CA 125.481 1.513 . . . . 0.0 113.031 -175.249 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' B' B ' 30' ' ' THR . . . . . . . . . . . . . 21.9 m . . . . . 0 C--O 1.252 1.234 0 C-N-CA 126.002 1.721 . . . . 0.0 112.243 178.138 . . . . . . . . 0 0 . 1 . 028 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.664 0 N-CA-C 112.38 -0.288 . . . . 0.0 112.38 . . . . . . . . . 0 0 . 1 . 028 nuclear build full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 8.6 tp -56.77 -42.82 78.35 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.123 0 C-N-CA 125.729 1.612 . . . . 0.0 113.143 -173.45 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 98.3 t -64.44 -34.95 72.83 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.906 0 C-N-CA 124.002 0.921 . . . . 0.0 110.9 179.288 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 38.2 mt-10 -77.41 -5.26 49.11 Favored 'General case' 0 CA--C 1.542 0.665 0 C-N-CA 124.1 0.96 . . . . 0.0 112.808 178.631 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 9.7 mt-30 -102.1 -53.29 2.96 Favored 'General case' 0 CA--C 1.536 0.41 0 CA-C-N 118.932 0.787 . . . . 0.0 111.215 166.641 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 92.3 m -87.5 -33.68 18.9 Favored 'General case' 0 N--CA 1.469 0.51 0 N-CA-C 115.468 1.655 . . . . 0.0 115.468 -168.367 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 14.1 t -78.4 -25.82 46.26 Favored 'General case' 0 N--CA 1.477 0.896 0 O-C-N 121.241 -0.912 . . . . 0.0 113.322 -179.865 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 5.4 t -89.58 -28.52 19.51 Favored 'General case' 0 N--CA 1.474 0.751 0 C-N-CA 125.024 1.33 . . . . 0.0 113.411 -179.192 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 16.9 m -158.01 174.47 15.18 Favored 'General case' 0 N--CA 1.474 0.774 0 C-N-CA 125.163 1.385 . . . . 0.0 112.535 -169.642 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 24.7 mm -59.55 124.97 14.85 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.864 0 O-C-N 121.158 -0.964 . . . . 0.0 109.094 168.533 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 21.8 p -114.08 147.57 38.53 Favored 'General case' 0 N--CA 1.47 0.56 0 C-N-CA 123.338 0.655 . . . . 0.0 111.946 170.276 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 38.0 m -97.69 152.09 19.46 Favored 'General case' 0 N--CA 1.471 0.586 0 C-N-CA 124.05 0.94 . . . . 0.0 112.556 -178.656 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 13' ' ' LEU . . . . . 0.589 ' H ' HD23 ' A' ' 13' ' ' LEU . 1.4 pt? -56.31 -43.83 79.34 Favored 'General case' 0 N--CA 1.464 0.26 0 C-N-CA 123.758 0.823 . . . . 0.0 111.817 -175.075 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 21.7 p90 -65.44 -16.66 63.86 Favored 'General case' 0 CA--C 1.538 0.509 0 N-CA-C 114.611 1.337 . . . . 0.0 114.611 -175.013 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 3.9 pt20 -111.42 -29.78 7.65 Favored 'General case' 0 N--CA 1.467 0.413 0 C-N-CA 123.99 0.916 . . . . 0.0 110.41 -177.747 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 16' ' ' LEU . . . . . 0.489 HD11 HG21 ' B' ' 18' ' ' VAL . 0.1 OUTLIER -69.86 -37.11 76.0 Favored 'General case' 0 CA--C 1.55 0.977 0 C-N-CA 124.001 0.92 . . . . 0.0 110.795 171.765 . . . . . . . . 3 3 . 1 . 028 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 13.2 mt-10 -50.79 -37.89 45.06 Favored 'General case' 0 N--CA 1.479 1.002 0 C-N-CA 126.861 2.065 . . . . 0.0 112.353 173.859 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 3.9 m-80 -62.35 -19.7 63.63 Favored 'General case' 0 CA--C 1.544 0.733 0 C-N-CA 123.88 0.872 . . . . 0.0 112.968 -175.41 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 95.9 m-85 -89.31 -3.16 58.6 Favored 'General case' 0 CA--C 1.542 0.648 0 C-N-CA 125.039 1.336 . . . . 0.0 113.974 177.94 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 28.9 t -69.23 -27.07 65.14 Favored 'General case' 0 CA--C 1.546 0.793 0 O-C-N 121.471 -0.768 . . . . 0.0 112.781 171.067 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 C--O 1.254 1.31 0 C-N-CA 126.025 1.73 . . . . 0.0 112.045 177.016 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' B' B ' 1' ' ' PHE . . . . . . . . . . . . . 69.0 t80 . . . . . 0 N--CA 1.487 1.389 0 CA-C-O 119.644 -0.217 . . . . 0.0 110.8 . . . . . . . . . 0 0 . 1 . 028 nuclear build full ' B' B ' 2' ' ' VAL . . . . . . . . . . . . . 91.6 t -130.44 119.59 46.47 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.02 0 C-N-CA 125.062 1.345 . . . . 0.0 108.838 173.617 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' B' B ' 3' ' ' ASN . . . . . . . . . . . . . 69.5 m-20 -60.65 122.06 13.77 Favored 'General case' 0 CA--C 1.535 0.367 0 C-N-CA 123.228 0.611 . . . . 0.0 110.18 170.079 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' B' B ' 4' ' ' GLN . . . . . . . . . . . . . 9.8 pt20 -159.38 179.04 9.3 Favored 'General case' 0 CA--C 1.534 0.348 0 C-N-CA 123.356 0.662 . . . . 0.0 111.296 -171.853 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' B' B ' 5' ' ' HIS . . . . . . . . . . . . . 76.9 m80 -81.22 128.28 33.61 Favored 'General case' 0 CA--C 1.544 0.725 0 C-N-CA 124.157 0.983 . . . . 0.0 110.105 170.162 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' B' B ' 6' ' ' LEU . . . . . 0.432 HD13 ' CB ' ' B' ' 14' ' ' ALA . 58.7 mt -139.73 134.64 32.17 Favored 'General case' 0 N--CA 1.471 0.625 0 C-N-CA 124.718 1.207 . . . . 0.0 110.78 -172.902 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' B' B ' 7' ' ' CYS . . . . . . . . . . . . . 1.8 t -157.73 145.68 18.82 Favored 'General case' 0 N--CA 1.469 0.479 0 C-N-CA 123.529 0.732 . . . . 0.0 111.59 -179.521 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' B' B ' 8' ' ' GLY . . . . . . . . . . . . . . . 60.07 -126.47 41.67 Favored Glycine 0 CA--C 1.53 1.009 0 C-N-CA 123.987 0.803 . . . . 0.0 112.327 -179.06 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' B' B ' 9' ' ' SER . . . . . . . . . . . . . 17.5 m -54.05 -39.55 66.32 Favored 'General case' 0 N--CA 1.471 0.591 0 C-N-CA 124.472 1.109 . . . . 0.0 112.652 177.984 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' B' B ' 10' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -63.12 -34.42 77.57 Favored 'General case' 0 N--CA 1.471 0.617 0 O-C-N 121.205 -0.934 . . . . 0.0 112.589 176.927 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 14.5 tp -74.18 -41.82 60.86 Favored 'General case' 0 CA--C 1.538 0.497 0 C-N-CA 124.272 1.029 . . . . 0.0 111.074 178.234 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 91.3 t -60.66 -41.63 88.87 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.139 0 C-N-CA 124.363 1.065 . . . . 0.0 111.375 171.18 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 25.4 mt-10 -59.33 -50.94 72.05 Favored 'General case' 0 CA--C 1.53 0.21 0 C-N-CA 123.507 0.723 . . . . 0.0 111.354 171.145 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' B' B ' 14' ' ' ALA . . . . . 0.537 ' O ' HG22 ' B' ' 18' ' ' VAL . . . -58.75 -46.14 88.11 Favored 'General case' 0 CA--C 1.532 0.287 0 CA-C-N 120.004 1.274 . . . . 0.0 112.691 179.713 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 3.8 mm? -56.55 -34.23 66.89 Favored 'General case' 0 N--CA 1.473 0.681 0 CA-C-N 118.919 0.781 . . . . 0.0 112.009 176.235 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' B' B ' 16' ' ' TYR . . . . . . . . . . . . . 87.8 t80 -66.24 -45.49 80.47 Favored 'General case' 0 CA--C 1.536 0.442 0 O-C-N 121.541 -0.724 . . . . 0.0 112.226 169.292 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 84.2 mt -63.48 -45.88 88.73 Favored 'General case' 0 N--CA 1.469 0.477 0 CA-C-N 119.122 0.874 . . . . 0.0 112.657 -179.143 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' B' B ' 18' ' ' VAL . . . . . 0.537 HG22 ' O ' ' B' ' 14' ' ' ALA . 0.0 OUTLIER -71.39 -46.02 66.44 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.019 0 CA-C-O 119.004 -0.522 . . . . 0.0 112.189 177.535 . . . . . . . . 3 3 . 1 . 028 nuclear build full ' B' B ' 19' ' ' CYS . . . . . . . . . . . . . 9.2 t -123.33 -30.89 3.62 Favored 'General case' 0 N--CA 1.474 0.733 0 N-CA-C 115.824 1.787 . . . . 0.0 115.824 -164.729 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . -80.9 -40.97 11.05 Favored Glycine 0 N--CA 1.475 1.281 0 CA-C-N 119.162 0.892 . . . . 0.0 113.601 -173.205 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 36.0 tt0 -66.01 -33.72 76.46 Favored 'General case' 0 CA--C 1.541 0.615 0 C-N-CA 124.941 1.296 . . . . 0.0 112.254 -178.787 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' B' B ' 22' ' ' ARG . . . . . . . . . . . . . 27.8 ptt180 -80.82 -4.45 54.71 Favored 'General case' 0 CA--C 1.545 0.753 0 N-CA-C 114.226 1.195 . . . . 0.0 114.226 176.425 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . -76.04 167.58 54.67 Favored Glycine 0 CA--C 1.531 1.046 0 C-N-CA 124.866 1.222 . . . . 0.0 113.316 -179.283 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' B' B ' 24' ' ' HIS . . . . . . . . . . . . . 31.9 p80 -70.65 -15.46 62.73 Favored 'General case' 0 CA--C 1.551 1.006 0 N-CA-C 114.583 1.327 . . . . 0.0 114.583 -179.797 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' B' B ' 25' ' ' PHE . . . . . . . . . . . . . 74.3 t80 -157.34 154.8 29.55 Favored 'General case' 0 CA--C 1.542 0.657 0 C-N-CA 126.219 1.807 . . . . 0.0 110.976 -176.715 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' B' B ' 26' ' ' TYR . . . . . . . . . . . . . 58.8 t80 -63.44 151.31 41.46 Favored 'General case' 0 CA--C 1.544 0.732 0 C-N-CA 124.684 1.193 . . . . 0.0 113.618 -179.884 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' B' B ' 27' ' ' THR . . . . . . . . . . . . . 34.5 p -127.36 119.47 21.88 Favored Pre-proline 0 N--CA 1.474 0.76 0 C-N-CA 125.23 1.412 . . . . 0.0 109.22 173.634 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' B' B ' 28' ' ' PRO . . . . . . . . . . . . . 87.5 Cg_endo -77.26 157.18 33.43 Favored 'Trans proline' 0 C--N 1.349 0.576 0 C-N-CA 123.264 2.643 . . . . 0.0 112.071 -173.794 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 18.6 mmtp -97.02 139.65 32.72 Favored 'General case' 0 CA--C 1.545 0.763 0 C-N-CA 124.591 1.156 . . . . 0.0 111.385 -173.338 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' B' B ' 30' ' ' THR . . . . . . . . . . . . . 12.5 t . . . . . 0 C--O 1.252 1.23 0 C-N-CA 126.075 1.75 . . . . 0.0 111.994 -176.345 . . . . . . . . 0 0 . 1 . 029 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.698 0 N-CA-C 111.554 -0.619 . . . . 0.0 111.554 . . . . . . . . . 0 0 . 1 . 029 nuclear build full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 9.0 tp -66.72 -43.21 90.22 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.993 0 N-CA-C 113.589 0.959 . . . . 0.0 113.589 -172.472 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 93.7 t -72.06 -41.45 67.82 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.056 0 C-N-CA 123.628 0.771 . . . . 0.0 109.977 -177.951 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 1.1 pm0 -78.2 12.3 1.94 Allowed 'General case' 0 CA--C 1.547 0.861 0 C-N-CA 125.05 1.34 . . . . 0.0 113.557 173.755 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 20.9 mm-40 -109.62 -61.42 1.64 Allowed 'General case' 0 CA--C 1.537 0.47 0 O-C-N 120.646 -1.284 . . . . 0.0 110.94 152.313 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 98.5 m -75.92 -36.73 59.3 Favored 'General case' 0 CA--C 1.537 0.449 0 N-CA-C 115.469 1.655 . . . . 0.0 115.469 -167.951 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 14.1 t -77.25 -29.4 53.97 Favored 'General case' 0 N--CA 1.474 0.767 0 O-C-N 121.088 -1.008 . . . . 0.0 113.025 -179.715 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 12.5 t -88.12 -32.77 18.51 Favored 'General case' 0 N--CA 1.474 0.735 0 C-N-CA 124.845 1.258 . . . . 0.0 112.932 179.958 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 3.5 t -149.91 -175.64 5.12 Favored 'General case' 0 CA--C 1.542 0.638 0 N-CA-C 113.512 0.93 . . . . 0.0 113.512 -177.083 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 36.4 mm -60.52 129.79 23.55 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.417 0 C-N-CA 123.833 0.853 . . . . 0.0 109.662 169.867 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 17.6 p -124.49 148.86 47.43 Favored 'General case' 0 CA--C 1.537 0.452 0 CA-C-O 121.643 0.735 . . . . 0.0 112.137 167.626 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 50.9 m -108.05 157.12 18.53 Favored 'General case' 0 N--CA 1.469 0.502 0 C-N-CA 124.821 1.248 . . . . 0.0 112.542 -179.89 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 13' ' ' LEU . . . . . 0.588 ' H ' HD23 ' A' ' 13' ' ' LEU . 1.3 pt? -54.58 -44.85 73.35 Favored 'General case' 0 N--CA 1.463 0.215 0 C-N-CA 124.437 1.095 . . . . 0.0 111.863 -174.986 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 27.3 p90 -64.8 -16.93 63.73 Favored 'General case' 0 CA--C 1.538 0.499 0 N-CA-C 114.48 1.289 . . . . 0.0 114.48 -173.135 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 3.5 pt20 -115.28 -26.53 7.58 Favored 'General case' 0 CA--C 1.533 0.3 0 C-N-CA 124.352 1.061 . . . . 0.0 110.803 -176.291 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 16' ' ' LEU . . . . . 0.512 HD11 HG21 ' B' ' 18' ' ' VAL . 0.2 OUTLIER -72.92 -36.48 67.26 Favored 'General case' 0 CA--C 1.552 1.02 0 C-N-CA 124.167 0.987 . . . . 0.0 110.895 171.429 . . . . . . . . 3 3 . 1 . 029 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 13.3 mt-10 -50.71 -38.48 47.38 Favored 'General case' 0 N--CA 1.481 1.121 0 C-N-CA 126.949 2.099 . . . . 0.0 112.035 174.735 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 3.2 m-80 -60.22 -21.03 61.29 Favored 'General case' 0 CA--C 1.543 0.676 0 C-N-CA 124.643 1.177 . . . . 0.0 113.152 -176.093 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 96.4 m-85 -90.99 -5.62 55.13 Favored 'General case' 0 CA--C 1.54 0.589 0 C-N-CA 125.092 1.357 . . . . 0.0 114.268 179.995 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 17.1 t -71.65 -26.01 62.37 Favored 'General case' 0 CA--C 1.546 0.813 0 O-C-N 121.478 -0.763 . . . . 0.0 112.779 172.071 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 C--O 1.253 1.278 0 C-N-CA 126.203 1.801 . . . . 0.0 112.083 177.311 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' B' B ' 1' ' ' PHE . . . . . . . . . . . . . 39.6 t80 . . . . . 0 N--CA 1.487 1.393 0 CA-C-O 119.445 -0.312 . . . . 0.0 110.573 . . . . . . . . . 0 0 . 1 . 029 nuclear build full ' B' B ' 2' ' ' VAL . . . . . . . . . . . . . 59.8 t -120.93 126.07 74.78 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.09 0 C-N-CA 124.97 1.308 . . . . 0.0 108.928 176.09 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' B' B ' 3' ' ' ASN . . . . . . . . . . . . . 71.4 m-20 -80.79 114.08 19.43 Favored 'General case' 0 CA--C 1.538 0.486 0 N-CA-C 109.351 -0.611 . . . . 0.0 109.351 172.897 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' B' B ' 4' ' ' GLN . . . . . . . . . . . . . 7.8 pt20 -157.78 -179.45 8.16 Favored 'General case' 0 CA--C 1.537 0.446 0 C-N-CA 123.915 0.886 . . . . 0.0 111.327 -171.129 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' B' B ' 5' ' ' HIS . . . . . . . . . . . . . 69.8 m80 -76.41 137.1 39.54 Favored 'General case' 0 CA--C 1.544 0.733 0 C-N-CA 124.434 1.094 . . . . 0.0 110.124 166.208 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 72.3 mt -146.13 132.72 19.83 Favored 'General case' 0 N--CA 1.473 0.677 0 C-N-CA 125.586 1.554 . . . . 0.0 110.246 -175.837 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' B' B ' 7' ' ' CYS . . . . . . . . . . . . . 3.3 t -156.08 146.14 21.39 Favored 'General case' 0 N--CA 1.469 0.509 0 C-N-CA 123.402 0.681 . . . . 0.0 111.74 -178.385 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' B' B ' 8' ' ' GLY . . . . . . . . . . . . . . . 60.66 -126.36 40.82 Favored Glycine 0 CA--C 1.529 0.953 0 C-N-CA 123.874 0.749 . . . . 0.0 112.485 179.77 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' B' B ' 9' ' ' SER . . . . . . . . . . . . . 8.8 t -56.01 -38.68 70.82 Favored 'General case' 0 N--CA 1.473 0.683 0 C-N-CA 123.67 0.788 . . . . 0.0 112.421 178.105 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' B' B ' 10' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -62.78 -34.86 78.13 Favored 'General case' 0 N--CA 1.474 0.758 0 O-C-N 120.842 -1.162 . . . . 0.0 112.776 175.329 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 15.0 tp -73.23 -42.93 62.02 Favored 'General case' 0 CA--C 1.536 0.43 0 C-N-CA 124.096 0.958 . . . . 0.0 111.083 177.405 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 92.9 t -60.03 -42.38 89.51 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.053 0 C-N-CA 124.18 0.992 . . . . 0.0 111.117 172.185 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 21.3 mt-10 -58.5 -48.74 79.81 Favored 'General case' 0 CA--C 1.531 0.221 0 C-N-CA 123.479 0.711 . . . . 0.0 111.694 171.918 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' B' B ' 14' ' ' ALA . . . . . 0.555 ' O ' HG22 ' B' ' 18' ' ' VAL . . . -59.1 -47.01 86.82 Favored 'General case' 0 CA--C 1.532 0.275 0 CA-C-N 119.881 1.219 . . . . 0.0 112.616 178.114 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 3.9 mm? -56.73 -35.73 68.9 Favored 'General case' 0 N--CA 1.472 0.658 0 CA-C-N 118.87 0.759 . . . . 0.0 112.105 176.15 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' B' B ' 16' ' ' TYR . . . . . . . . . . . . . 84.3 t80 -63.06 -45.74 90.79 Favored 'General case' 0 CA--C 1.535 0.396 0 CA-C-N 118.842 0.747 . . . . 0.0 112.028 169.975 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 86.7 mt -62.71 -52.66 62.39 Favored 'General case' 0 CA--C 1.537 0.472 0 CA-C-N 119.244 0.929 . . . . 0.0 111.882 179.436 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' B' B ' 18' ' ' VAL . . . . . 0.555 HG22 ' O ' ' B' ' 14' ' ' ALA . 0.1 OUTLIER -69.44 -43.85 80.48 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.968 0 N-CA-C 112.657 0.614 . . . . 0.0 112.657 -177.178 . . . . . . . . 3 3 . 1 . 029 nuclear build full ' B' B ' 19' ' ' CYS . . . . . . . . . . . . . 7.9 t -115.35 -20.08 10.45 Favored 'General case' 0 N--CA 1.474 0.726 0 N-CA-C 115.209 1.559 . . . . 0.0 115.209 -165.688 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . -95.12 -52.9 1.68 Allowed Glycine 0 N--CA 1.475 1.272 0 C-N-CA 124.485 1.04 . . . . 0.0 113.133 179.109 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 12.4 tm-20 -85.81 -41.19 15.25 Favored 'General case' 0 CA--C 1.541 0.632 0 C-N-CA 126.083 1.753 . . . . 0.0 111.654 -178.236 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' B' B ' 22' ' ' ARG . . . . . . . . . . . . . 57.6 mtp85 63.46 8.57 3.62 Favored 'General case' 0 CA--C 1.547 0.83 0 C-N-CA 128.32 2.648 . . . . 0.0 115.678 164.959 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . -79.48 -16.75 77.33 Favored Glycine 0 N--CA 1.472 1.069 0 C-N-CA 125.028 1.299 . . . . 0.0 115.236 -172.705 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' B' B ' 24' ' ' HIS . . . . . . . . . . . . . 11.8 p80 -145.27 141.79 28.91 Favored 'General case' 0 CA--C 1.553 1.063 0 C-N-CA 125.437 1.495 . . . . 0.0 113.094 -178.496 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' B' B ' 25' ' ' PHE . . . . . . . . . . . . . 86.3 t80 -69.16 145.64 53.11 Favored 'General case' 0 CA--C 1.541 0.609 0 C-N-CA 127.045 2.138 . . . . 0.0 111.631 -10.471 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' B' B ' 26' ' ' TYR . . . . . . . . . . . . . 65.8 t80 -136.01 149.9 49.0 Favored 'General case' 0 CA--C 1.539 0.519 0 C-N-CA 125.01 1.324 . . . . 0.0 111.553 170.788 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' B' B ' 27' ' ' THR . . . . . . . . . . . . . 5.9 t -138.55 129.13 15.18 Favored Pre-proline 0 N--CA 1.469 0.521 0 C-N-CA 125.895 1.678 . . . . 0.0 108.278 170.793 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' B' B ' 28' ' ' PRO . . . . . . . . . . . . . 63.1 Cg_endo -82.87 156.33 15.49 Favored 'Trans proline' 0 C--N 1.35 0.635 0 C-N-CA 122.727 2.285 . . . . 0.0 112.712 -164.376 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 14.9 ptmm? -151.36 19.48 0.74 Allowed 'General case' 0 CA--C 1.549 0.921 0 C-N-CA 125.055 1.342 . . . . 0.0 113.956 -174.06 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' B' B ' 30' ' ' THR . . . . . . . . . . . . . 19.7 p . . . . . 0 C--O 1.255 1.37 0 C-N-CA 126.409 1.884 . . . . 0.0 113.695 179.23 . . . . . . . . 0 0 . 1 . 030 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.626 0 CA-C-O 119.48 -0.622 . . . . 0.0 112.356 . . . . . . . . . 0 0 . 1 . 030 nuclear build full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 4.9 tp 150.8 -41.71 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.486 1.331 1 C-N-CA 135.095 5.358 . . . . 0.0 111.035 173.176 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 96.4 t -64.14 -41.9 93.89 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.043 0 C-N-CA 124.836 1.254 . . . . 0.0 110.669 -177.462 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 1.3 pm0 -72.36 9.06 1.12 Allowed 'General case' 0 CA--C 1.545 0.76 0 C-N-CA 125.018 1.327 . . . . 0.0 113.557 175.813 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 24.6 mm-40 -121.86 -54.21 1.94 Allowed 'General case' 0 CA--C 1.537 0.455 0 C-N-CA 124.814 1.245 . . . . 0.0 110.709 169.25 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 2.2 t -90.58 -23.64 20.79 Favored 'General case' 0 N--CA 1.473 0.712 0 N-CA-C 115.255 1.576 . . . . 0.0 115.255 -172.267 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 13.6 t -75.05 -27.45 60.0 Favored 'General case' 0 N--CA 1.479 0.987 0 O-C-N 120.572 -1.33 . . . . 0.0 112.719 170.18 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 11.2 t -94.06 -32.26 13.87 Favored 'General case' 0 N--CA 1.475 0.814 0 C-N-CA 125.155 1.382 . . . . 0.0 112.995 179.84 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 4.5 t -144.38 -173.4 4.02 Favored 'General case' 0 CA--C 1.543 0.694 0 C-N-CA 124.418 1.087 . . . . 0.0 113.15 -179.377 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 31.0 mm -66.65 136.12 27.28 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.542 0 O-C-N 120.736 -1.228 . . . . 0.0 110.578 174.791 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 16.2 p -123.56 159.1 29.91 Favored 'General case' 0 N--CA 1.471 0.598 0 CA-C-O 121.913 0.864 . . . . 0.0 112.399 157.181 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 32.3 m -130.29 150.82 51.36 Favored 'General case' 0 N--CA 1.466 0.333 0 C-N-CA 125.556 1.542 . . . . 0.0 110.214 -173.221 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 13' ' ' LEU . . . . . 0.505 ' H ' HD23 ' A' ' 13' ' ' LEU . 1.6 pt? -54.94 -40.03 69.52 Favored 'General case' 0 N--CA 1.463 0.191 0 C-N-CA 123.727 0.811 . . . . 0.0 112.287 -170.234 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 29.3 p90 -68.55 -13.78 62.56 Favored 'General case' 0 CA--C 1.534 0.332 0 C-N-CA 124.855 1.262 . . . . 0.0 114.262 -174.351 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 9.4 pt20 -122.04 -26.43 4.76 Favored 'General case' 0 C--O 1.222 -0.38 0 C-N-CA 123.887 0.875 . . . . 0.0 111.48 179.931 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 16' ' ' LEU . . . . . 0.481 HD11 HG21 ' B' ' 18' ' ' VAL . 0.3 OUTLIER -76.27 -27.54 56.71 Favored 'General case' 0 CA--C 1.545 0.764 0 CA-C-N 119.977 1.262 . . . . 0.0 112.003 179.033 . . . . . . . . 3 3 . 1 . 030 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 17.1 mt-10 -51.04 -33.78 26.81 Favored 'General case' 0 N--CA 1.48 1.046 0 C-N-CA 123.853 0.861 . . . . 0.0 111.881 169.627 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 50.8 m-20 -60.87 -24.34 65.85 Favored 'General case' 0 CA--C 1.543 0.71 0 C-N-CA 124.887 1.275 . . . . 0.0 112.882 -175.05 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 63.0 m-85 -87.92 -7.56 56.98 Favored 'General case' 0 CA--C 1.543 0.679 0 C-N-CA 126.213 1.805 . . . . 0.0 113.42 -177.418 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 35.7 t -68.42 -29.82 68.58 Favored 'General case' 0 CA--C 1.544 0.736 0 N-CA-C 113.34 0.867 . . . . 0.0 113.34 179.583 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 C--O 1.253 1.289 0 C-N-CA 125.949 1.7 . . . . 0.0 111.21 -177.493 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' B' B ' 1' ' ' PHE . . . . . . . . . . . . . 36.1 t80 . . . . . 0 N--CA 1.487 1.416 0 CA-C-O 119.606 -0.235 . . . . 0.0 110.669 . . . . . . . . . 0 0 . 1 . 030 nuclear build full ' B' B ' 2' ' ' VAL . . . . . . . . . . . . . 65.5 t -126.99 127.96 70.22 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.046 0 C-N-CA 124.947 1.299 . . . . 0.0 108.946 175.469 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' B' B ' 3' ' ' ASN . . . . . . . . . . . . . 69.8 m-20 -81.37 115.98 20.98 Favored 'General case' 0 CA--C 1.539 0.547 0 N-CA-C 109.39 -0.596 . . . . 0.0 109.39 173.058 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' B' B ' 4' ' ' GLN . . . . . . . . . . . . . 8.5 pt20 -160.86 -178.87 7.12 Favored 'General case' 0 CA--C 1.537 0.463 0 C-N-CA 123.75 0.82 . . . . 0.0 111.442 -170.216 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' B' B ' 5' ' ' HIS . . . . . . . . . . . . . 65.1 m80 -77.44 138.08 39.05 Favored 'General case' 0 CA--C 1.545 0.788 0 C-N-CA 124.599 1.16 . . . . 0.0 109.761 165.929 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 79.9 mt -145.12 139.57 27.4 Favored 'General case' 0 N--CA 1.473 0.684 0 C-N-CA 125.304 1.442 . . . . 0.0 110.547 -176.883 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' B' B ' 7' ' ' CYS . . . . . . . . . . . . . 2.8 t -155.51 147.41 23.33 Favored 'General case' 0 N--CA 1.468 0.444 0 O-C-N 121.656 -0.653 . . . . 0.0 111.925 -179.01 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' B' B ' 8' ' ' GLY . . . . . . . . . . . . . . . 60.18 -129.13 47.3 Favored Glycine 0 N--CA 1.47 0.941 0 C-N-CA 123.956 0.789 . . . . 0.0 112.373 179.94 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' B' B ' 9' ' ' SER . . . . . . . . . . . . . 16.3 m -53.61 -39.71 65.13 Favored 'General case' 0 N--CA 1.469 0.514 0 C-N-CA 124.5 1.12 . . . . 0.0 112.66 178.33 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' B' B ' 10' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -62.68 -36.96 84.58 Favored 'General case' 0 CA--C 1.543 0.701 0 O-C-N 121.255 -0.903 . . . . 0.0 112.625 178.004 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 16.1 tp -73.49 -43.8 59.34 Favored 'General case' 0 CA--C 1.536 0.429 0 C-N-CA 124.644 1.178 . . . . 0.0 110.97 177.889 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 77.8 t -60.23 -43.1 92.59 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.015 0 C-N-CA 123.874 0.87 . . . . 0.0 111.134 173.594 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 22.5 mt-10 -59.19 -44.74 92.2 Favored 'General case' 0 N--CA 1.467 0.395 0 C-N-CA 124.43 1.092 . . . . 0.0 112.15 174.006 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -61.33 -51.06 70.43 Favored 'General case' 0 N--CA 1.453 -0.3 0 CA-C-O 118.384 -0.817 . . . . 0.0 111.243 176.479 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 4.0 mm? -54.26 -39.37 66.8 Favored 'General case' 0 N--CA 1.472 0.634 0 CA-C-N 119.18 0.9 . . . . 0.0 112.171 177.832 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' B' B ' 16' ' ' TYR . . . . . . . . . . . . . 63.5 t80 -60.45 -45.74 92.57 Favored 'General case' 0 N--CA 1.467 0.387 0 CA-C-N 118.816 0.735 . . . . 0.0 112.152 172.666 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 96.1 mt -65.66 -51.85 56.27 Favored 'General case' 0 CA--C 1.536 0.432 0 CA-C-N 118.675 0.67 . . . . 0.0 111.74 177.984 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' B' B ' 18' ' ' VAL . . . . . 0.481 HG21 HD11 ' A' ' 16' ' ' LEU . 0.0 OUTLIER -75.55 -30.27 21.78 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.162 0 CA-C-O 118.232 -0.89 . . . . 0.0 113.163 -172.254 . . . . . . . . 3 3 . 1 . 030 nuclear build full ' B' B ' 19' ' ' CYS . . . . . . . . . . . . . 21.3 t -113.33 -36.31 5.04 Favored 'General case' 0 CA--C 1.538 0.499 0 N-CA-C 114.33 1.234 . . . . 0.0 114.33 -174.409 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . -85.26 -51.93 3.57 Favored Glycine 0 CA--C 1.53 0.981 0 C-N-CA 124.045 0.831 . . . . 0.0 112.896 -176.454 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 9.3 tp10 -78.37 -55.21 5.41 Favored 'General case' 0 CA--C 1.541 0.597 0 C-N-CA 125.137 1.375 . . . . 0.0 111.11 -178.373 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' B' B ' 22' ' ' ARG . . . . . . . . . . . . . 47.2 mtt180 56.7 1.46 0.08 Allowed 'General case' 0 N--CA 1.476 0.873 0 N-CA-C 117.373 2.36 . . . . 0.0 117.373 175.532 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . -66.53 -26.45 72.84 Favored Glycine 0 N--CA 1.477 1.38 0 C-N-CA 125.227 1.394 . . . . 0.0 114.824 -172.972 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' B' B ' 24' ' ' HIS . . . . . . . . . . . . . 24.1 p80 -61.91 -31.2 71.49 Favored 'General case' 0 CA--C 1.549 0.909 0 C-N-CA 125.222 1.409 . . . . 0.0 113.771 172.526 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' B' B ' 25' ' ' PHE . . . . . . . . . . . . . 48.9 t80 67.18 160.22 0.15 Allowed 'General case' 0 CA--C 1.546 0.803 0 C-N-CA 128.082 2.553 . . . . 0.0 113.93 175.165 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' B' B ' 26' ' ' TYR . . . . . . . . . . . . . 5.1 t80 -150.49 148.21 28.43 Favored 'General case' 0 CA--C 1.541 0.602 0 C-N-CA 125.716 1.606 . . . . 0.0 112.521 172.171 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' B' B ' 27' ' ' THR . . . . . 0.651 ' H ' ' HA ' ' B' ' 28' ' ' PRO . 6.0 t -155.4 -16.8 0.0 OUTLIER Pre-proline 0 CA--C 1.552 1.05 0 N-CA-C 118.047 2.61 . . . . 0.0 118.047 -179.392 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' B' B ' 28' ' ' PRO . . . . . 0.651 ' HA ' ' H ' ' B' ' 27' ' ' THR . 87.9 Cg_endo -77.24 159.6 95.08 Favored 'Cis proline' 0 C--N 1.362 1.27 0 CA-C-N 125.179 2.885 . . . . 0.0 113.235 -0.496 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 14.6 mmmm -63.95 141.05 58.91 Favored 'General case' 0 CA--C 1.545 0.786 0 C-N-CA 123.135 0.574 . . . . 0.0 112.013 172.694 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' B' B ' 30' ' ' THR . . . . . . . . . . . . . 12.6 t . . . . . 0 C--O 1.252 1.206 0 C-N-CA 126.954 2.102 . . . . 0.0 111.921 -175.575 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 8.4 tp . . . . . 0 N--CA 1.481 1.087 0 N-CA-C 113.576 0.954 . . . . 0.0 113.576 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 93.5 t -64.03 -41.92 94.04 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.929 0 O-C-N 121.457 -0.777 . . . . 0.0 110.187 177.668 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 42.4 mp0 -73.04 -6.46 45.72 Favored 'General case' 0 CA--C 1.547 0.828 0 C-N-CA 124.003 0.921 . . . . 0.0 113.06 176.076 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 40.3 tp60 -98.78 -40.93 7.9 Favored 'General case' 0 CA--C 1.54 0.577 0 C-N-CA 124.44 1.096 . . . . 0.0 111.807 174.017 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 89.4 m -107.52 -30.49 8.6 Favored 'General case' 0 N--CA 1.475 0.799 0 N-CA-C 115.933 1.827 . . . . 0.0 115.933 -171.872 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 23.7 t -78.82 -33.83 45.77 Favored 'General case' 0 N--CA 1.479 0.999 0 O-C-N 120.954 -1.091 . . . . 0.0 113.661 -177.089 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 6.4 t -82.71 -30.25 29.25 Favored 'General case' 0 N--CA 1.477 0.911 0 C-N-CA 125.285 1.434 . . . . 0.0 113.246 -177.828 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 93.1 p -164.24 170.45 16.24 Favored 'General case' 0 CA--C 1.536 0.436 0 C-N-CA 126.69 1.996 . . . . 0.0 110.536 -172.544 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 9.8 mt -71.23 130.69 35.02 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.455 0 O-C-N 121.412 -0.805 . . . . 0.0 112.367 -170.291 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 18.8 p -115.69 166.36 12.02 Favored 'General case' 0 CA--C 1.541 0.609 0 C-N-CA 125.098 1.359 . . . . 0.0 111.619 171.228 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 50.7 m -131.43 155.35 47.49 Favored 'General case' 0 N--CA 1.467 0.391 0 C-N-CA 124.912 1.285 . . . . 0.0 111.261 -173.571 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . 0.55 ' H ' HD23 ' A' ' 13' ' ' LEU . 1.4 pt? -53.93 -42.86 69.26 Favored 'General case' 0 N--CA 1.464 0.248 0 C-N-CA 124.261 1.024 . . . . 0.0 111.929 -172.899 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 27.6 p90 -67.08 -13.87 62.35 Favored 'General case' 0 CA--C 1.536 0.43 0 N-CA-C 114.569 1.322 . . . . 0.0 114.569 -173.874 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 5.1 pt20 -118.36 -31.83 4.83 Favored 'General case' 0 C--O 1.223 -0.315 0 C-N-CA 123.956 0.902 . . . . 0.0 110.848 -178.641 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . 0.539 HD11 HG21 ' B' ' 18' ' ' VAL . 0.2 OUTLIER -70.06 -32.41 70.5 Favored 'General case' 0 CA--C 1.549 0.939 0 CA-C-N 119.21 0.913 . . . . 0.0 111.175 176.854 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 13.8 mt-10 -46.37 -36.98 6.94 Favored 'General case' 0 N--CA 1.479 0.977 0 C-N-CA 126.237 1.815 . . . . 0.0 112.548 169.782 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 80.9 m-20 -62.4 -24.52 67.44 Favored 'General case' 0 CA--C 1.541 0.628 0 C-N-CA 124.795 1.238 . . . . 0.0 112.89 -173.893 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 85.4 m-85 -88.18 -1.15 57.84 Favored 'General case' 0 CA--C 1.544 0.722 0 C-N-CA 126.164 1.786 . . . . 0.0 113.777 -176.134 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 6.6 t -76.06 -3.93 38.6 Favored 'General case' 0 CA--C 1.551 1.004 0 C-N-CA 124.148 0.979 . . . . 0.0 113.596 173.506 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 5.6 p-10 . . . . . 0 C--O 1.253 1.274 0 C-N-CA 126.48 1.912 . . . . 0.0 114.457 179.467 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' B' B ' 1' ' ' PHE . . . . . . . . . . . . . 38.7 t80 . . . . . 0 N--CA 1.487 1.399 0 CA-C-O 119.577 -0.249 . . . . 0.0 110.715 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' B' B ' 2' ' ' VAL . . . . . . . . . . . . . 61.5 t -128.46 127.94 67.61 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.05 0 C-N-CA 124.963 1.305 . . . . 0.0 108.962 174.983 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 3' ' ' ASN . . . . . . . . . . . . . 72.9 m-20 -81.53 112.69 18.99 Favored 'General case' 0 CA--C 1.537 0.453 0 C-N-CA 123.178 0.591 . . . . 0.0 109.52 172.573 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 4' ' ' GLN . . . . . . . . . . . . . 6.0 pt20 -158.46 -179.1 7.78 Favored 'General case' 0 CA--C 1.537 0.463 0 C-N-CA 125.251 1.42 . . . . 0.0 110.829 -172.703 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 5' ' ' HIS . . . . . . . . . . . . . 70.3 m-70 -75.18 136.12 41.04 Favored 'General case' 0 CA--C 1.542 0.672 0 C-N-CA 124.257 1.023 . . . . 0.0 109.835 167.574 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 86.9 mt -143.65 133.93 24.53 Favored 'General case' 0 N--CA 1.47 0.537 0 C-N-CA 124.942 1.297 . . . . 0.0 110.295 -175.812 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 7' ' ' CYS . . . . . . . . . . . . . 1.8 t -157.0 146.42 20.42 Favored 'General case' 0 N--CA 1.468 0.462 0 C-N-CA 123.665 0.786 . . . . 0.0 111.403 -175.715 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 8' ' ' GLY . . . . . . . . . . . . . . . 58.71 -127.28 44.85 Favored Glycine 0 CA--C 1.531 1.046 0 C-N-CA 123.902 0.763 . . . . 0.0 112.717 179.394 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 9' ' ' SER . . . . . . . . . . . . . 8.8 t -56.33 -38.1 70.87 Favored 'General case' 0 N--CA 1.473 0.687 0 C-N-CA 123.746 0.819 . . . . 0.0 112.607 178.698 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 10' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -62.75 -35.13 78.8 Favored 'General case' 0 CA--C 1.544 0.741 0 O-C-N 120.73 -1.231 . . . . 0.0 112.623 175.673 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 15.8 tp -74.12 -42.19 60.42 Favored 'General case' 0 CA--C 1.536 0.441 0 C-N-CA 124.398 1.079 . . . . 0.0 111.072 177.484 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 91.2 t -59.81 -41.79 86.82 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.106 0 C-N-CA 124.12 0.968 . . . . 0.0 111.189 171.532 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 19.7 mt-10 -58.77 -49.67 76.78 Favored 'General case' 0 N--CA 1.465 0.304 0 C-N-CA 123.425 0.69 . . . . 0.0 111.595 171.794 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 14' ' ' ALA . . . . . 0.539 ' O ' HG22 ' B' ' 18' ' ' VAL . . . -58.58 -47.0 85.75 Favored 'General case' 0 CA--C 1.534 0.364 0 CA-C-N 119.85 1.205 . . . . 0.0 112.529 177.724 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 3.9 mm? -57.2 -35.09 69.21 Favored 'General case' 0 N--CA 1.47 0.543 0 C-N-CA 123.549 0.74 . . . . 0.0 112.095 176.181 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 16' ' ' TYR . . . . . . . . . . . . . 90.0 t80 -62.48 -45.1 94.56 Favored 'General case' 0 CA--C 1.536 0.421 0 O-C-N 121.294 -0.878 . . . . 0.0 112.018 169.94 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 77.5 mt -65.97 -47.04 75.92 Favored 'General case' 0 N--CA 1.466 0.368 0 CA-C-N 118.868 0.758 . . . . 0.0 112.584 -178.079 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 18' ' ' VAL . . . . . 0.539 HG21 HD11 ' A' ' 16' ' ' LEU . 0.1 OUTLIER -72.99 -40.65 59.44 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.944 0 N-CA-C 112.928 0.714 . . . . 0.0 112.928 -179.989 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' B' B ' 19' ' ' CYS . . . . . . . . . . . . . 18.9 t -127.11 -36.79 2.13 Favored 'General case' 0 N--CA 1.473 0.676 0 N-CA-C 114.713 1.375 . . . . 0.0 114.713 -167.134 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.476 1.346 0 O-C-N 121.529 -0.732 . . . . 0.0 113.218 -169.607 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 6.8 tp . . . . . 0 N--CA 1.484 1.239 0 N-CA-C 113.909 1.077 . . . . 0.0 113.909 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 91.5 t -64.01 -33.66 63.66 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.008 0 C-N-CA 123.823 0.849 . . . . 0.0 111.113 176.928 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 29.6 tt0 -82.46 -3.34 55.58 Favored 'General case' 0 CA--C 1.549 0.911 0 C-N-CA 124.893 1.277 . . . . 0.0 112.579 175.875 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 8.6 tp-100 -96.57 -48.66 5.44 Favored 'General case' 0 CA--C 1.538 0.505 0 O-C-N 120.975 -1.078 . . . . 0.0 110.656 167.827 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 65.0 m -108.72 -26.79 10.15 Favored 'General case' 0 N--CA 1.47 0.557 0 N-CA-C 116.511 2.041 . . . . 0.0 116.511 -166.128 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 47.8 t -86.99 -35.24 18.93 Favored 'General case' 0 N--CA 1.478 0.97 0 CA-C-N 120.546 1.521 . . . . 0.0 113.255 179.885 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 5.2 t -79.37 -21.15 46.15 Favored 'General case' 0 N--CA 1.475 0.82 0 C-N-CA 125.017 1.327 . . . . 0.0 113.32 178.95 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 26.9 p -157.45 163.15 38.81 Favored 'General case' 0 CA--C 1.542 0.655 0 C-N-CA 125.302 1.441 . . . . 0.0 112.141 -171.658 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 20.6 mm -60.43 129.21 22.71 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.892 0 O-C-N 121.477 -0.764 . . . . 0.0 109.471 172.08 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 16.8 p -120.35 157.94 28.17 Favored 'General case' 0 N--CA 1.47 0.554 0 CA-C-O 121.852 0.834 . . . . 0.0 113.07 172.453 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 30.6 m -104.92 152.32 22.8 Favored 'General case' 0 CA--C 1.535 0.397 0 C-N-CA 124.973 1.309 . . . . 0.0 112.129 177.873 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . 0.527 ' H ' HD23 ' A' ' 13' ' ' LEU . 1.8 pt? -57.04 -41.84 79.38 Favored 'General case' 0 CA--C 1.531 0.215 0 C-N-CA 124.097 0.959 . . . . 0.0 112.256 -176.632 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 19.6 p90 -69.02 -15.85 63.57 Favored 'General case' 0 CA--C 1.535 0.394 0 C-N-CA 124.749 1.22 . . . . 0.0 114.048 -172.982 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 3.2 pt20 -109.53 -26.2 10.07 Favored 'General case' 0 C--O 1.224 -0.283 0 C-N-CA 123.85 0.86 . . . . 0.0 110.649 179.686 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -75.47 -30.67 60.0 Favored 'General case' 0 CA--C 1.548 0.884 0 CA-C-N 119.113 0.87 . . . . 0.0 111.541 176.141 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 23.6 mt-10 -53.18 -36.12 60.57 Favored 'General case' 0 N--CA 1.479 1.023 0 C-N-CA 124.41 1.084 . . . . 0.0 112.147 170.906 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 7.5 m-80 -64.21 -14.07 52.98 Favored 'General case' 0 CA--C 1.547 0.853 0 N-CA-C 113.395 0.887 . . . . 0.0 113.395 -176.026 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 88.7 m-85 -91.27 -5.28 54.97 Favored 'General case' 0 CA--C 1.544 0.746 0 C-N-CA 125.296 1.438 . . . . 0.0 113.386 174.689 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 15.4 t -72.96 -27.79 62.04 Favored 'General case' 0 CA--C 1.544 0.725 0 C-N-CA 124.328 1.051 . . . . 0.0 112.653 172.273 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 35.4 m120 . . . . . 0 C--O 1.253 1.279 0 C-N-CA 125.923 1.689 . . . . 0.0 113.021 179.318 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' B' B ' 1' ' ' PHE . . . . . . . . . . . . . 74.5 t80 . . . . . 0 N--CA 1.487 1.404 0 N-CA-C 110.712 -0.107 . . . . 0.0 110.712 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' B' B ' 2' ' ' VAL . . . . . . . . . . . . . 90.4 t -132.06 121.84 47.52 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.949 0 C-N-CA 124.967 1.307 . . . . 0.0 108.301 169.982 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 3' ' ' ASN . . . . . . . . . . . . . 8.6 m120 -61.84 113.97 3.07 Favored 'General case' 0 CA--C 1.537 0.459 0 C-N-CA 123.967 0.907 . . . . 0.0 110.026 172.486 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 4' ' ' GLN . . . . . . . . . . . . . 12.5 pt20 -156.91 178.74 10.01 Favored 'General case' 0 CA--C 1.532 0.287 0 C-N-CA 123.782 0.833 . . . . 0.0 111.185 -172.492 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 5' ' ' HIS . . . . . . . . . . . . . 73.7 m-70 -82.99 124.93 30.86 Favored 'General case' 0 CA--C 1.544 0.715 0 C-N-CA 123.954 0.902 . . . . 0.0 110.184 167.48 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 97.0 mt -125.16 124.37 41.64 Favored 'General case' 0 N--CA 1.466 0.364 0 C-N-CA 125.453 1.501 . . . . 0.0 110.185 -177.285 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 7' ' ' CYS . . . . . . . . . . . . . 65.2 m -139.28 150.47 45.49 Favored 'General case' 0 N--CA 1.469 0.508 0 C-N-CA 125.467 1.507 . . . . 0.0 110.307 -175.958 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 8' ' ' GLY . . . . . . . . . . . . . . . 57.93 -130.85 51.61 Favored Glycine 0 N--CA 1.471 0.981 0 C-N-CA 123.682 0.658 . . . . 0.0 112.402 174.478 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 9' ' ' SER . . . . . . . . . . . . . 22.5 m -54.05 -42.85 69.69 Favored 'General case' 0 N--CA 1.47 0.569 0 C-N-CA 124.148 0.979 . . . . 0.0 112.608 177.294 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 10' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -57.05 -35.91 69.89 Favored 'General case' 0 N--CA 1.475 0.793 0 C-N-CA 123.936 0.895 . . . . 0.0 112.627 -177.866 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 19.5 tp -71.6 -31.19 66.65 Favored 'General case' 0 CA--C 1.538 0.51 0 C-N-CA 124.73 1.212 . . . . 0.0 112.47 177.838 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 94.8 t -81.66 -36.81 14.76 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.967 0 C-N-CA 124.722 1.209 . . . . 0.0 109.558 -179.534 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 2.4 mt-10 -52.3 -52.58 52.17 Favored 'General case' 0 N--CA 1.451 -0.424 0 C-N-CA 125.711 1.604 . . . . 0.0 110.628 164.043 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 14' ' ' ALA . . . . . 0.497 ' O ' HG23 ' B' ' 18' ' ' VAL . . . -58.05 -52.22 66.43 Favored 'General case' 0 N--CA 1.451 -0.415 0 CA-C-O 117.968 -1.015 . . . . 0.0 111.451 179.597 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 3.7 mm? -54.39 -38.57 66.34 Favored 'General case' 0 N--CA 1.471 0.602 0 CA-C-N 119.54 1.064 . . . . 0.0 112.413 177.249 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 16' ' ' TYR . . . . . . . . . . . . . 79.3 t80 -63.37 -46.37 86.8 Favored 'General case' 0 CA--C 1.539 0.529 0 CA-C-N 119.09 0.859 . . . . 0.0 112.168 171.525 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 27.1 mt -64.53 -43.93 92.45 Favored 'General case' 0 CA--C 1.537 0.467 0 C-N-CA 124.514 1.126 . . . . 0.0 112.517 -178.012 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 18' ' ' VAL . . . . . 0.497 HG23 ' O ' ' B' ' 14' ' ' ALA . 0.0 OUTLIER -80.98 -43.34 20.66 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.202 0 CA-C-N 118.541 0.61 . . . . 0.0 112.157 -178.24 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' B' B ' 19' ' ' CYS . . . . . . . . . . . . . 24.2 t -102.34 -42.54 5.96 Favored 'General case' 0 CA--C 1.54 0.59 0 N-CA-C 113.733 1.012 . . . . 0.0 113.733 -170.224 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.474 1.22 0 C-N-CA 124.144 0.878 . . . . 0.0 113.969 -167.339 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 7.9 tp . . . . . 0 N--CA 1.482 1.17 0 N-CA-C 113.964 1.098 . . . . 0.0 113.964 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 60.3 t -63.67 -32.34 56.5 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.987 0 C-N-CA 124.098 0.959 . . . . 0.0 111.118 176.792 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 40.2 mt-10 -81.24 5.79 16.04 Favored 'General case' 0 CA--C 1.546 0.803 0 C-N-CA 125.218 1.407 . . . . 0.0 112.368 175.42 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 18.9 mm-40 -110.94 -63.84 1.35 Allowed 'General case' 0 CA--C 1.534 0.354 0 C-N-CA 124.368 1.067 . . . . 0.0 110.224 164.212 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 86.9 m -83.65 -30.65 26.68 Favored 'General case' 0 N--CA 1.469 0.491 0 N-CA-C 115.394 1.627 . . . . 0.0 115.394 -167.93 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 25.4 t -83.76 -26.4 29.7 Favored 'General case' 0 N--CA 1.475 0.796 0 CA-C-N 119.577 1.08 . . . . 0.0 113.012 -179.336 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 8.4 t -85.08 -34.94 22.13 Favored 'General case' 0 N--CA 1.473 0.722 0 C-N-CA 124.661 1.184 . . . . 0.0 112.905 177.363 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 60.7 m -145.8 172.52 13.19 Favored 'General case' 0 CA--C 1.544 0.741 0 C-N-CA 124.898 1.279 . . . . 0.0 112.426 -172.493 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 21.9 mm -61.52 124.57 16.25 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.837 0 O-C-N 120.85 -1.156 . . . . 0.0 108.732 166.222 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 23.7 p -110.94 147.02 35.56 Favored 'General case' 0 N--CA 1.469 0.497 0 C-N-CA 123.392 0.677 . . . . 0.0 112.044 171.953 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 50.8 m -95.32 151.03 19.61 Favored 'General case' 0 N--CA 1.469 0.509 0 C-N-CA 123.878 0.871 . . . . 0.0 112.166 175.844 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . 0.588 ' H ' HD23 ' A' ' 13' ' ' LEU . 1.5 pt? -56.22 -43.04 78.17 Favored 'General case' 0 N--CA 1.462 0.156 0 C-N-CA 124.203 1.001 . . . . 0.0 111.754 -176.727 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 18.1 p90 -65.96 -15.1 62.69 Favored 'General case' 0 CA--C 1.538 0.482 0 N-CA-C 114.785 1.402 . . . . 0.0 114.785 -176.01 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 3.7 pt20 -112.17 -30.22 7.3 Favored 'General case' 0 N--CA 1.468 0.446 0 C-N-CA 123.741 0.816 . . . . 0.0 110.501 -178.953 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . 0.507 HD11 HG21 ' B' ' 18' ' ' VAL . 0.1 OUTLIER -68.21 -36.49 79.62 Favored 'General case' 0 CA--C 1.55 0.971 0 C-N-CA 123.77 0.828 . . . . 0.0 110.79 171.285 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 12.2 mt-10 -49.07 -36.69 19.04 Favored 'General case' 0 N--CA 1.479 0.999 0 C-N-CA 126.569 1.948 . . . . 0.0 112.596 173.504 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 5.0 m-80 -64.83 -19.43 65.85 Favored 'General case' 0 CA--C 1.543 0.678 0 N-CA-C 112.946 0.721 . . . . 0.0 112.946 -176.341 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 93.5 m-85 -87.21 -2.5 58.67 Favored 'General case' 0 CA--C 1.546 0.795 0 C-N-CA 125.117 1.367 . . . . 0.0 113.506 177.129 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 17.2 t -73.13 -26.85 61.38 Favored 'General case' 0 CA--C 1.544 0.726 0 C-N-CA 123.567 0.747 . . . . 0.0 112.703 168.869 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--O 1.251 1.155 0 C-N-CA 125.571 1.548 . . . . 0.0 112.424 178.429 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 1' ' ' PHE . . . . . . . . . . . . . 75.1 t80 . . . . . 0 N--CA 1.485 1.32 0 CA-C-O 119.787 -0.149 . . . . 0.0 110.793 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' B' B ' 2' ' ' VAL . . . . . . . . . . . . . 94.8 t -129.81 120.91 51.17 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.0 0 C-N-CA 125.115 1.366 . . . . 0.0 108.502 172.345 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 3' ' ' ASN . . . . . . . . . . . . . 55.8 m-20 -60.17 117.05 4.67 Favored 'General case' 0 CA--C 1.535 0.404 0 C-N-CA 123.477 0.711 . . . . 0.0 110.287 171.727 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 4' ' ' GLN . . . . . . . . . . . . . 10.5 pt20 -158.7 -177.72 6.73 Favored 'General case' 0 CA--C 1.533 0.324 0 C-N-CA 123.957 0.903 . . . . 0.0 110.847 -174.949 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 5' ' ' HIS . . . . . . . . . . . . . 83.4 m-70 -83.14 124.25 30.31 Favored 'General case' 0 CA--C 1.544 0.745 0 C-N-CA 124.004 0.922 . . . . 0.0 110.685 171.443 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 6' ' ' LEU . . . . . 0.511 HD13 ' HB2' ' B' ' 14' ' ' ALA . 77.6 mt -135.47 128.98 32.46 Favored 'General case' 0 N--CA 1.472 0.633 0 C-N-CA 125.275 1.43 . . . . 0.0 110.854 -173.106 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 7' ' ' CYS . . . . . . . . . . . . . 61.2 m -140.72 153.17 45.81 Favored 'General case' 0 N--CA 1.471 0.603 0 C-N-CA 125.903 1.681 . . . . 0.0 110.207 -176.372 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 8' ' ' GLY . . . . . . . . . . . . . . . 57.81 -131.54 52.1 Favored Glycine 0 N--CA 1.473 1.1 0 C-N-CA 123.745 0.688 . . . . 0.0 112.918 172.028 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 9' ' ' SER . . . . . . . . . . . . . 20.4 m -54.42 -42.52 70.6 Favored 'General case' 0 N--CA 1.472 0.642 0 C-N-CA 124.077 0.951 . . . . 0.0 112.376 176.986 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 10' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -57.75 -30.55 65.7 Favored 'General case' 0 N--CA 1.474 0.74 0 C-N-CA 123.931 0.892 . . . . 0.0 112.825 179.063 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 17.2 tp -79.5 -26.7 41.52 Favored 'General case' 0 CA--C 1.542 0.661 0 C-N-CA 124.678 1.191 . . . . 0.0 112.967 177.692 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 92.7 t -80.99 -34.01 13.47 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.199 0 C-N-CA 124.822 1.249 . . . . 0.0 109.813 176.158 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 2.4 mt-10 -52.5 -51.82 57.57 Favored 'General case' 0 N--CA 1.45 -0.455 0 C-N-CA 124.961 1.305 . . . . 0.0 110.584 158.998 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 14' ' ' ALA . . . . . 0.541 ' O ' HG22 ' B' ' 18' ' ' VAL . . . -53.63 -54.91 31.04 Favored 'General case' 0 CA--C 1.532 0.268 0 C-N-CA 123.581 0.752 . . . . 0.0 111.792 -178.974 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 4.1 mm? -55.86 -35.22 66.22 Favored 'General case' 0 N--CA 1.471 0.589 0 C-N-CA 123.462 0.705 . . . . 0.0 112.413 177.677 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 16' ' ' TYR . . . . . . . . . . . . . 84.9 t80 -65.55 -46.77 78.26 Favored 'General case' 0 CA--C 1.54 0.589 0 CA-C-N 119.272 0.942 . . . . 0.0 112.111 170.082 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 28.7 mt -64.34 -40.8 96.6 Favored 'General case' 0 N--CA 1.469 0.478 0 C-N-CA 124.028 0.931 . . . . 0.0 112.632 -175.389 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 18' ' ' VAL . . . . . 0.541 HG22 ' O ' ' B' ' 14' ' ' ALA . 0.0 OUTLIER -76.16 -51.14 20.66 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.037 0 C-N-CA 123.414 0.686 . . . . 0.0 112.789 172.942 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' B' B ' 19' ' ' CYS . . . . . . . . . . . . . 9.5 t -112.26 -33.6 6.17 Favored 'General case' 0 N--CA 1.475 0.782 0 N-CA-C 114.979 1.474 . . . . 0.0 114.979 -163.765 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.477 1.399 0 O-C-N 121.418 -0.801 . . . . 0.0 113.719 -172.359 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 7.8 tp . . . . . 0 N--CA 1.482 1.159 0 N-CA-C 113.845 1.054 . . . . 0.0 113.845 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 93.5 t -62.6 -33.88 62.09 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.983 0 C-N-CA 123.691 0.796 . . . . 0.0 111.175 176.885 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 41.0 mt-10 -79.01 -8.56 59.04 Favored 'General case' 0 CA--C 1.542 0.661 0 C-N-CA 124.035 0.934 . . . . 0.0 112.589 177.0 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 29.6 mm100 -91.94 -50.62 5.62 Favored 'General case' 0 CA--C 1.535 0.372 0 O-C-N 121.532 -0.73 . . . . 0.0 110.813 168.04 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 98.9 m -99.78 -28.32 13.21 Favored 'General case' 0 N--CA 1.472 0.673 0 N-CA-C 116.381 1.993 . . . . 0.0 116.381 -166.264 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 49.7 t -83.85 -40.65 18.4 Favored 'General case' 0 N--CA 1.477 0.917 0 N-CA-C 113.934 1.087 . . . . 0.0 113.934 -177.994 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 6.6 t -74.79 -31.56 61.77 Favored 'General case' 0 N--CA 1.478 0.972 0 C-N-CA 124.554 1.141 . . . . 0.0 112.941 -177.89 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 74.7 m -156.19 172.65 18.08 Favored 'General case' 0 N--CA 1.469 0.485 0 C-N-CA 128.019 2.528 . . . . 0.0 109.15 -173.611 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 31.4 mt -75.85 125.63 35.72 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.455 0 O-C-N 121.198 -0.939 . . . . 0.0 111.121 -179.691 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 28.9 p -98.11 169.8 9.36 Favored 'General case' 0 CA--C 1.537 0.467 0 C-N-CA 124.587 1.155 . . . . 0.0 112.164 171.813 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 72.3 m -127.66 151.95 48.31 Favored 'General case' 0 C--O 1.236 0.358 0 C-N-CA 124.586 1.154 . . . . 0.0 111.68 -178.598 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . 0.558 ' H ' HD23 ' A' ' 13' ' ' LEU . 1.4 pt? -53.92 -42.73 69.09 Favored 'General case' 0 N--CA 1.463 0.196 0 C-N-CA 124.57 1.148 . . . . 0.0 111.915 -172.733 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 21.4 p90 -65.97 -14.47 61.65 Favored 'General case' 0 CA--C 1.537 0.45 0 N-CA-C 114.769 1.396 . . . . 0.0 114.769 -175.017 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 6.8 pt20 -117.27 -30.83 5.49 Favored 'General case' 0 N--CA 1.466 0.328 0 C-N-CA 123.365 0.666 . . . . 0.0 110.978 -178.986 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . 0.445 HD11 HG21 ' B' ' 18' ' ' VAL . 0.2 OUTLIER -69.75 -34.95 74.51 Favored 'General case' 0 CA--C 1.549 0.915 0 C-N-CA 123.687 0.795 . . . . 0.0 111.07 176.826 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 15.2 mt-10 -48.78 -36.86 17.53 Favored 'General case' 0 N--CA 1.48 1.032 0 C-N-CA 126.048 1.739 . . . . 0.0 112.222 170.289 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 1.7 t-20 -58.73 -27.98 65.41 Favored 'General case' 0 CA--C 1.542 0.656 0 C-N-CA 124.387 1.075 . . . . 0.0 113.072 -176.312 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 88.9 m-85 -85.07 -3.37 58.77 Favored 'General case' 0 CA--C 1.543 0.707 0 C-N-CA 125.798 1.639 . . . . 0.0 113.608 -179.48 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 14.8 t -72.84 -26.83 61.61 Favored 'General case' 0 CA--C 1.545 0.779 0 C-N-CA 123.622 0.769 . . . . 0.0 112.755 171.455 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 24.5 t-20 . . . . . 0 C--O 1.253 1.247 0 C-N-CA 125.643 1.577 . . . . 0.0 113.017 178.503 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' B' B ' 1' ' ' PHE . . . . . . . . . . . . . 67.1 t80 . . . . . 0 N--CA 1.487 1.415 0 CA-C-O 119.561 -0.257 . . . . 0.0 110.832 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' B' B ' 2' ' ' VAL . . . . . . . . . . . . . 71.7 t -125.14 118.89 54.21 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.929 0 C-N-CA 124.907 1.283 . . . . 0.0 108.647 173.211 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 3' ' ' ASN . . . . . . . . . . . . . 9.4 m120 -70.18 105.11 2.82 Favored 'General case' 0 CA--C 1.542 0.664 0 C-N-CA 123.624 0.77 . . . . 0.0 110.188 173.149 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 4' ' ' GLN . . . . . . . . . . . . . 28.4 pt20 -160.79 -177.81 6.41 Favored 'General case' 0 CA--C 1.538 0.5 0 C-N-CA 125.985 1.714 . . . . 0.0 110.406 -179.189 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 5' ' ' HIS . . . . . . . . . . . . . 69.6 m-70 -84.46 124.8 31.75 Favored 'General case' 0 CA--C 1.544 0.718 0 C-N-CA 124.033 0.933 . . . . 0.0 110.853 179.476 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 6' ' ' LEU . . . . . 0.482 HD13 ' HB2' ' B' ' 14' ' ' ALA . 72.5 mt -136.99 134.35 36.55 Favored 'General case' 0 N--CA 1.473 0.707 0 C-N-CA 125.739 1.616 . . . . 0.0 109.645 -173.596 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 7' ' ' CYS . . . . . . . . . . . . . 3.0 t -140.16 -50.66 0.48 Allowed 'General case' 0 N--CA 1.48 1.039 0 N-CA-C 116.55 2.056 . . . . 0.0 116.55 -167.626 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 8' ' ' GLY . . . . . . . . . . . . . . . -103.42 -123.59 5.3 Favored Glycine 0 CA--C 1.526 0.747 0 C-N-CA 124.045 0.831 . . . . 0.0 111.791 -173.595 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 9' ' ' SER . . . . . . . . . . . . . 21.5 t -52.5 -39.01 60.79 Favored 'General case' 0 N--CA 1.476 0.855 0 CA-C-N 117.758 0.779 . . . . 0.0 111.345 169.562 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 10' ' ' HIS . . . . . . . . . . . . . 9.3 m-70 -50.22 -31.97 15.29 Favored 'General case' 0 CA--C 1.545 0.774 0 C-N-CA 125.228 1.411 . . . . 0.0 114.728 173.358 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 18.1 tp -83.97 -24.18 30.74 Favored 'General case' 0 CA--C 1.541 0.615 0 C-N-CA 124.498 1.119 . . . . 0.0 113.007 178.479 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 98.6 t -80.86 -35.97 15.06 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.034 0 C-N-CA 125.018 1.327 . . . . 0.0 109.405 175.066 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 2.4 mm-40 -52.78 -49.55 65.35 Favored 'General case' 0 N--CA 1.45 -0.464 0 C-N-CA 125.766 1.627 . . . . 0.0 110.61 159.707 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 14' ' ' ALA . . . . . 0.503 ' O ' HG22 ' B' ' 18' ' ' VAL . . . -52.55 -56.57 14.32 Favored 'General case' 0 CA--C 1.534 0.338 0 CA-C-N 119.353 0.979 . . . . 0.0 111.075 178.591 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 4.0 mm? -55.12 -35.08 64.3 Favored 'General case' 0 N--CA 1.471 0.578 0 C-N-CA 123.619 0.767 . . . . 0.0 112.971 177.946 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 16' ' ' TYR . . . . . . . . . . . . . 88.5 t80 -66.9 -45.57 77.58 Favored 'General case' 0 CA--C 1.541 0.603 0 CA-C-N 119.699 1.136 . . . . 0.0 112.606 171.632 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 41.4 mt -66.11 -36.47 83.24 Favored 'General case' 0 N--CA 1.469 0.502 0 C-N-CA 124.962 1.305 . . . . 0.0 112.569 -176.316 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 18' ' ' VAL . . . . . 0.503 HG22 ' O ' ' B' ' 14' ' ' ALA . 0.0 OUTLIER -82.22 -63.29 1.21 Allowed 'Isoleucine or valine' 0 N--CA 1.478 0.957 0 C-N-CA 123.408 0.683 . . . . 0.0 112.4 170.829 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' B' B ' 19' ' ' CYS . . . . . . . . . . . . . 10.9 t -88.57 -24.83 22.76 Favored 'General case' 0 N--CA 1.471 0.592 0 N-CA-C 113.979 1.103 . . . . 0.0 113.979 -161.835 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.47 0.917 0 C-N-CA 124.441 1.019 . . . . 0.0 111.866 178.508 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 8.3 tp . . . . . 0 N--CA 1.482 1.159 0 N-CA-C 113.809 1.04 . . . . 0.0 113.809 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 77.2 t -62.57 -34.66 66.24 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.047 0 C-N-CA 123.908 0.883 . . . . 0.0 110.874 177.33 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 42.2 mt-10 -77.66 -1.03 28.96 Favored 'General case' 0 CA--C 1.544 0.746 0 C-N-CA 124.66 1.184 . . . . 0.0 112.592 176.66 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 13.7 mm-40 -109.22 -43.74 4.09 Favored 'General case' 0 CA--C 1.534 0.331 0 O-C-N 121.058 -1.027 . . . . 0.0 112.462 170.235 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 92.5 m -103.6 -26.2 12.89 Favored 'General case' 0 N--CA 1.473 0.707 0 N-CA-C 115.787 1.773 . . . . 0.0 115.787 -169.56 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 43.4 t -86.69 -32.25 20.59 Favored 'General case' 0 N--CA 1.479 0.979 0 N-CA-C 113.476 0.917 . . . . 0.0 113.476 179.275 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 6.0 t -74.86 -33.03 62.04 Favored 'General case' 0 N--CA 1.476 0.869 0 C-N-CA 124.824 1.25 . . . . 0.0 112.842 178.501 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 85.4 p -168.27 178.59 4.87 Favored 'General case' 0 CA--C 1.538 0.482 0 C-N-CA 127.048 2.139 . . . . 0.0 110.379 -172.737 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 12.0 mt -76.37 125.94 36.58 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.455 0 O-C-N 121.055 -1.028 . . . . 0.0 111.965 -173.733 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 29.8 p -104.89 152.73 22.29 Favored 'General case' 0 CA--C 1.538 0.502 0 C-N-CA 125.205 1.402 . . . . 0.0 111.522 171.678 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 50.9 m -96.04 151.38 19.5 Favored 'General case' 0 N--CA 1.472 0.648 0 C-N-CA 123.704 0.801 . . . . 0.0 112.277 175.69 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . 0.564 ' H ' HD23 ' A' ' 13' ' ' LEU . 1.7 pt? -57.08 -41.33 78.65 Favored 'General case' 0 N--CA 1.465 0.321 0 C-N-CA 123.749 0.82 . . . . 0.0 111.874 -176.841 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 15.1 p90 -67.28 -11.32 57.22 Favored 'General case' 0 CA--C 1.536 0.424 0 N-CA-C 114.893 1.442 . . . . 0.0 114.893 -176.291 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 3.8 pt20 -117.0 -31.95 5.22 Favored 'General case' 0 N--CA 1.464 0.249 0 C-N-CA 123.94 0.896 . . . . 0.0 110.555 179.473 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . 0.534 HD11 HG21 ' B' ' 18' ' ' VAL . 0.2 OUTLIER -65.92 -34.0 77.11 Favored 'General case' 0 CA--C 1.548 0.87 0 CA-C-N 119.472 1.033 . . . . 0.0 110.93 173.37 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 13.6 mt-10 -46.4 -36.63 6.67 Favored 'General case' 0 N--CA 1.477 0.891 0 C-N-CA 126.271 1.828 . . . . 0.0 112.705 171.138 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 91.9 m-20 -62.75 -25.4 68.18 Favored 'General case' 0 CA--C 1.541 0.623 0 C-N-CA 124.365 1.066 . . . . 0.0 112.814 -174.951 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 83.4 m-85 -86.52 -3.56 59.04 Favored 'General case' 0 CA--C 1.542 0.673 0 C-N-CA 125.905 1.682 . . . . 0.0 113.369 -177.543 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 22.8 t -72.01 -27.17 62.55 Favored 'General case' 0 CA--C 1.545 0.765 0 C-N-CA 123.686 0.794 . . . . 0.0 112.698 169.318 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--O 1.252 1.218 0 C-N-CA 125.551 1.541 . . . . 0.0 112.435 178.617 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 1' ' ' PHE . . . . . . . . . . . . . 49.1 t80 . . . . . 0 N--CA 1.486 1.361 0 CA-C-O 119.586 -0.245 . . . . 0.0 110.633 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' B' B ' 2' ' ' VAL . . . . . . . . . . . . . 21.8 m -131.62 134.06 60.9 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.96 0 C-N-CA 124.244 1.018 . . . . 0.0 109.575 164.451 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 3' ' ' ASN . . . . . . . . . . . . . 73.1 m-20 -64.28 125.3 24.13 Favored 'General case' 0 CA--C 1.538 0.505 0 N-CA-C 109.424 -0.584 . . . . 0.0 109.424 169.439 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 4' ' ' GLN . . . . . . . . . . . . . 24.6 pt20 -161.31 -179.25 7.26 Favored 'General case' 0 CA--C 1.535 0.39 0 C-N-CA 125.036 1.334 . . . . 0.0 110.247 -170.36 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 5' ' ' HIS . . . . . . . . . . . . . 83.5 m-70 -85.1 129.88 34.72 Favored 'General case' 0 CA--C 1.541 0.632 0 C-N-CA 123.821 0.849 . . . . 0.0 110.697 172.864 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 75.6 mt -138.62 130.94 28.63 Favored 'General case' 0 N--CA 1.47 0.564 0 C-N-CA 124.577 1.151 . . . . 0.0 111.188 -171.428 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 7' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -153.46 146.76 24.78 Favored 'General case' 0 N--CA 1.468 0.46 0 C-N-CA 123.588 0.755 . . . . 0.0 111.231 179.517 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 8' ' ' GLY . . . . . . . . . . . . . . . 57.37 -124.45 35.96 Favored Glycine 0 CA--C 1.532 1.102 0 C-N-CA 124.056 0.836 . . . . 0.0 112.704 179.233 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 9' ' ' SER . . . . . . . . . . . . . 8.8 t -55.84 -38.93 70.72 Favored 'General case' 0 N--CA 1.472 0.648 0 C-N-CA 123.899 0.88 . . . . 0.0 112.621 178.57 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 10' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -63.03 -35.22 79.49 Favored 'General case' 0 N--CA 1.473 0.692 0 O-C-N 120.763 -1.21 . . . . 0.0 112.483 175.991 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 15.6 tp -74.19 -41.0 62.13 Favored 'General case' 0 CA--C 1.538 0.487 0 C-N-CA 124.042 0.937 . . . . 0.0 111.159 178.41 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 95.0 t -60.11 -41.82 87.85 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.166 0 C-N-CA 124.025 0.93 . . . . 0.0 111.345 170.215 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 22.2 mt-10 -58.94 -49.61 77.19 Favored 'General case' 0 CA--C 1.533 0.299 0 C-N-CA 123.252 0.621 . . . . 0.0 111.511 171.698 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 14' ' ' ALA . . . . . 0.554 ' O ' HG22 ' B' ' 18' ' ' VAL . . . -58.39 -46.76 85.74 Favored 'General case' 0 CA--C 1.534 0.333 0 CA-C-N 119.822 1.192 . . . . 0.0 112.527 178.051 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 3.9 mm? -56.43 -34.48 66.84 Favored 'General case' 0 N--CA 1.471 0.613 0 C-N-CA 123.598 0.759 . . . . 0.0 112.142 175.827 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 16' ' ' TYR . . . . . . . . . . . . . 79.0 t80 -65.27 -46.01 82.21 Favored 'General case' 0 CA--C 1.539 0.544 0 O-C-N 121.309 -0.87 . . . . 0.0 112.162 169.373 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 82.1 mt -62.93 -45.76 90.97 Favored 'General case' 0 N--CA 1.471 0.575 0 CA-C-N 119.237 0.926 . . . . 0.0 112.574 -179.259 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 18' ' ' VAL . . . . . 0.554 HG22 ' O ' ' B' ' 14' ' ' ALA . 0.0 OUTLIER -73.33 -44.71 54.45 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.952 0 N-CA-C 112.815 0.672 . . . . 0.0 112.815 178.028 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' B' B ' 19' ' ' CYS . . . . . . . . . . . . . 11.3 t -122.43 -26.85 4.53 Favored 'General case' 0 N--CA 1.477 0.882 0 N-CA-C 115.567 1.691 . . . . 0.0 115.567 -165.125 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.475 1.263 0 O-C-N 121.342 -0.849 . . . . 0.0 113.19 -176.632 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 6.4 tp . . . . . 0 N--CA 1.485 1.275 0 N-CA-C 114.103 1.149 . . . . 0.0 114.103 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 92.7 t -62.69 -34.76 67.2 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.963 0 O-C-N 121.469 -0.769 . . . . 0.0 111.083 176.82 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 33.8 mm-40 -79.58 0.24 30.78 Favored 'General case' 0 CA--C 1.545 0.766 0 C-N-CA 123.855 0.862 . . . . 0.0 112.953 176.347 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 7.1 tp-100 -100.73 -55.17 2.65 Favored 'General case' 0 CA--C 1.538 0.509 0 C-N-CA 124.479 1.111 . . . . 0.0 109.89 168.289 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 58.6 m -92.46 -32.01 15.06 Favored 'General case' 0 N--CA 1.469 0.503 0 N-CA-C 115.86 1.8 . . . . 0.0 115.86 -168.435 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 17.8 t -76.46 -29.61 57.0 Favored 'General case' 0 N--CA 1.477 0.908 0 CA-C-N 119.472 1.033 . . . . 0.0 113.104 -179.137 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 7.3 t -87.22 -30.3 21.07 Favored 'General case' 0 N--CA 1.475 0.816 0 C-N-CA 125.151 1.38 . . . . 0.0 113.498 -177.331 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 72.1 m -150.37 170.31 19.34 Favored 'General case' 0 N--CA 1.473 0.697 0 C-N-CA 125.067 1.347 . . . . 0.0 112.057 -170.853 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 25.7 mm -55.96 129.05 17.05 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.836 0 O-C-N 121.332 -0.855 . . . . 0.0 109.762 169.138 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 15.9 p -124.25 152.51 42.9 Favored 'General case' 0 CA--C 1.536 0.436 0 CA-C-O 121.702 0.763 . . . . 0.0 112.316 168.099 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 26.4 m -116.81 153.14 32.98 Favored 'General case' 0 N--CA 1.47 0.548 0 C-N-CA 124.694 1.198 . . . . 0.0 112.2 -175.976 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . 0.508 ' H ' HD23 ' A' ' 13' ' ' LEU . 1.9 pt? -57.65 -40.88 80.32 Favored 'General case' 0 CA--C 1.53 0.193 0 O-C-N 121.449 -0.782 . . . . 0.0 111.898 -173.276 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 21.0 p90 -68.2 -12.86 61.68 Favored 'General case' 0 CA--C 1.536 0.435 0 C-N-CA 125.092 1.357 . . . . 0.0 114.35 -174.234 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 3.9 pt20 -116.77 -24.63 7.62 Favored 'General case' 0 C--O 1.222 -0.344 0 C-N-CA 124.445 1.098 . . . . 0.0 111.175 178.949 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . 0.463 HD11 HG21 ' B' ' 18' ' ' VAL . 0.2 OUTLIER -77.48 -26.8 51.63 Favored 'General case' 0 CA--C 1.547 0.863 0 CA-C-N 119.439 1.018 . . . . 0.0 111.613 174.473 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 22.0 mt-10 -52.76 -28.43 22.25 Favored 'General case' 0 N--CA 1.48 1.044 0 C-N-CA 124.493 1.117 . . . . 0.0 112.361 166.886 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 76.6 m-20 -61.7 -27.06 68.44 Favored 'General case' 0 CA--C 1.541 0.626 0 C-N-CA 123.215 0.606 . . . . 0.0 112.168 -177.166 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 67.8 m-85 -85.98 1.68 49.21 Favored 'General case' 0 CA--C 1.548 0.866 0 C-N-CA 126.625 1.97 . . . . 0.0 112.91 -179.674 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 18.8 t -68.97 -24.61 64.26 Favored 'General case' 0 CA--C 1.546 0.791 0 C-N-CA 125.366 1.466 . . . . 0.0 112.955 169.317 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 68.3 m-80 . . . . . 0 C--O 1.252 1.202 0 C-N-CA 125.744 1.618 . . . . 0.0 112.822 178.061 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' B' B ' 1' ' ' PHE . . . . . . . . . . . . . 42.1 t80 . . . . . 0 N--CA 1.487 1.382 0 CA-C-O 119.775 -0.155 . . . . 0.0 110.61 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' B' B ' 2' ' ' VAL . . . . . . . . . . . . . 89.8 t -130.14 124.23 57.68 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.043 0 C-N-CA 124.958 1.303 . . . . 0.0 108.459 171.306 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 3' ' ' ASN . . . . . . . . . . . . . 70.9 m-20 -69.33 118.29 12.03 Favored 'General case' 0 CA--C 1.535 0.399 0 C-N-CA 123.352 0.661 . . . . 0.0 109.522 175.995 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 4' ' ' GLN . . . . . . . . . . . . . 14.4 pt20 -159.89 178.82 9.36 Favored 'General case' 0 CA--C 1.535 0.371 0 C-N-CA 123.31 0.644 . . . . 0.0 111.658 -165.861 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 5' ' ' HIS . . . . . . . . . . . . . 66.6 m-70 -80.06 125.98 30.47 Favored 'General case' 0 CA--C 1.544 0.742 0 C-N-CA 123.822 0.849 . . . . 0.0 109.811 167.141 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 96.0 mt -128.28 132.26 48.71 Favored 'General case' 0 N--CA 1.471 0.588 0 C-N-CA 124.595 1.158 . . . . 0.0 110.561 -178.505 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 7' ' ' CYS . . . . . . . . . . . . . 2.4 t -160.87 154.17 21.73 Favored 'General case' 0 N--CA 1.468 0.464 0 C-N-CA 124.237 1.015 . . . . 0.0 111.428 -177.263 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 8' ' ' GLY . . . . . . . . . . . . . . . 62.88 -137.83 44.14 Favored Glycine 0 CA--C 1.528 0.892 0 N-CA-C 111.22 -0.752 . . . . 0.0 111.22 -174.156 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 9' ' ' SER . . . . . . . . . . . . . 22.2 m -54.41 -40.95 68.76 Favored 'General case' 0 N--CA 1.472 0.626 0 C-N-CA 124.143 0.977 . . . . 0.0 112.763 177.946 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 10' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -55.23 -37.43 67.15 Favored 'General case' 0 N--CA 1.474 0.736 0 C-N-CA 124.23 1.012 . . . . 0.0 113.039 -178.168 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 18.6 tp -70.47 -33.08 70.85 Favored 'General case' 0 CA--C 1.537 0.451 0 C-N-CA 124.612 1.165 . . . . 0.0 112.209 176.863 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 87.3 t -80.67 -35.82 15.25 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.831 0 C-N-CA 124.355 1.062 . . . . 0.0 109.398 -176.782 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 2.4 mt-10 -53.29 -54.69 32.63 Favored 'General case' 0 N--CA 1.451 -0.394 0 C-N-CA 125.617 1.567 . . . . 0.0 110.576 163.553 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -58.26 -50.43 73.59 Favored 'General case' 0 N--CA 1.454 -0.268 0 CA-C-O 118.503 -0.76 . . . . 0.0 111.642 -179.793 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 4.1 mm? -58.04 -36.82 73.28 Favored 'General case' 0 N--CA 1.466 0.374 0 CA-C-N 119.442 1.019 . . . . 0.0 111.97 176.807 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 16' ' ' TYR . . . . . . . . . . . . . 86.9 t80 -62.28 -41.08 98.18 Favored 'General case' 0 N--CA 1.469 0.521 0 CA-C-N 120.636 1.562 . . . . 0.0 112.304 170.804 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 19.3 mt -71.17 -41.0 70.92 Favored 'General case' 0 CA--C 1.54 0.576 0 C-N-CA 124.184 0.993 . . . . 0.0 112.766 -176.788 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 18' ' ' VAL . . . . . 0.463 HG21 HD11 ' A' ' 16' ' ' LEU . 0.0 OUTLIER -91.16 -39.75 11.99 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.473 0 N-CA-C 113.323 0.86 . . . . 0.0 113.323 -179.491 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' B' B ' 19' ' ' CYS . . . . . . . . . . . . . 41.8 t -101.1 -44.79 5.59 Favored 'General case' 0 N--CA 1.472 0.663 0 C-N-CA 123.872 0.869 . . . . 0.0 112.3 -175.919 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.474 1.226 0 CA-C-N 118.625 0.648 . . . . 0.0 113.479 -172.517 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 6.8 tp . . . . . 0 N--CA 1.484 1.244 0 N-CA-C 113.781 1.03 . . . . 0.0 113.781 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 87.2 t -62.23 -32.52 55.04 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.904 0 C-N-CA 123.757 0.823 . . . . 0.0 111.101 178.519 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 36.9 mt-10 -81.58 -1.32 45.96 Favored 'General case' 0 CA--C 1.546 0.806 0 C-N-CA 124.17 0.988 . . . . 0.0 112.752 177.549 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 40.1 tp60 -104.26 -43.79 5.13 Favored 'General case' 0 CA--C 1.537 0.463 0 C-N-CA 124.236 1.014 . . . . 0.0 111.016 170.552 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 69.2 m -100.31 -34.82 9.83 Favored 'General case' 0 N--CA 1.472 0.649 0 N-CA-C 115.893 1.812 . . . . 0.0 115.893 -172.193 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 14.7 t -77.48 -26.27 51.18 Favored 'General case' 0 N--CA 1.48 1.038 0 O-C-N 120.849 -1.157 . . . . 0.0 113.37 -177.703 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 4.8 t -95.92 -19.28 19.66 Favored 'General case' 0 N--CA 1.475 0.804 0 C-N-CA 125.764 1.626 . . . . 0.0 113.716 -178.276 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 22.0 p -158.92 166.3 32.15 Favored 'General case' 0 N--CA 1.473 0.704 0 C-N-CA 124.818 1.247 . . . . 0.0 112.702 -169.958 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 23.6 mm -62.02 121.21 9.93 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.798 0 O-C-N 121.23 -0.919 . . . . 0.0 108.981 170.668 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 29.0 p -108.51 146.75 32.73 Favored 'General case' 0 N--CA 1.468 0.433 0 C-N-CA 123.302 0.641 . . . . 0.0 111.814 171.195 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 50.0 m -96.03 151.24 19.63 Favored 'General case' 0 N--CA 1.471 0.607 0 CA-C-O 121.483 0.658 . . . . 0.0 112.32 177.562 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . 0.524 ' H ' HD23 ' A' ' 13' ' ' LEU . 1.7 pt? -59.46 -39.1 82.58 Favored 'General case' 0 N--CA 1.464 0.241 0 O-C-N 121.421 -0.799 . . . . 0.0 112.557 -173.479 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 26.5 p90 -70.64 -13.69 62.18 Favored 'General case' 0 CA--C 1.536 0.432 0 C-N-CA 124.914 1.286 . . . . 0.0 114.11 -174.907 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 3.6 pt20 -113.11 -33.45 6.01 Favored 'General case' 0 N--CA 1.465 0.304 0 C-N-CA 124.048 0.939 . . . . 0.0 110.811 -179.266 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -66.69 -35.86 81.13 Favored 'General case' 0 CA--C 1.538 0.505 0 CA-C-N 119.024 0.829 . . . . 0.0 111.068 177.964 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -76.31 -16.55 59.74 Favored 'General case' 0 CA--C 1.533 0.291 0 N-CA-C 113.022 0.749 . . . . 0.0 113.022 -179.371 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 1.1 t-20 -57.76 -29.88 65.16 Favored 'General case' 0 CA--C 1.544 0.744 0 C-N-CA 124.049 0.939 . . . . 0.0 112.406 171.038 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 95.4 m-85 -77.44 -5.8 51.15 Favored 'General case' 0 CA--C 1.545 0.764 0 C-N-CA 125.83 1.652 . . . . 0.0 113.713 177.35 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 12.4 t -69.89 -24.1 63.35 Favored 'General case' 0 CA--C 1.545 0.759 0 C-N-CA 124.156 0.982 . . . . 0.0 113.123 175.68 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 68.2 m-80 . . . . . 0 C--O 1.254 1.318 0 C-N-CA 125.766 1.626 . . . . 0.0 112.994 179.726 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' B' B ' 1' ' ' PHE . . . . . . . . . . . . . 43.3 t80 . . . . . 0 N--CA 1.487 1.42 0 CA-C-O 119.576 -0.249 . . . . 0.0 110.729 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' B' B ' 2' ' ' VAL . . . . . . . . . . . . . 95.6 t -129.56 117.68 43.05 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.981 0 C-N-CA 124.843 1.257 . . . . 0.0 109.187 173.407 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 3' ' ' ASN . . . . . . . . . . . . . 71.7 m-20 -61.69 124.02 19.55 Favored 'General case' 0 C--O 1.235 0.331 0 C-N-CA 123.088 0.555 . . . . 0.0 110.243 168.53 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 4' ' ' GLN . . . . . . . . . . . . . 10.4 pt20 -160.45 -179.84 8.01 Favored 'General case' 0 CA--C 1.533 0.306 0 C-N-CA 123.78 0.832 . . . . 0.0 110.813 -171.323 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 5' ' ' HIS . . . . . . . . . . . . . 74.9 m-70 -81.44 125.99 31.11 Favored 'General case' 0 CA--C 1.542 0.644 0 C-N-CA 123.741 0.816 . . . . 0.0 109.861 168.76 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 78.3 mt -133.97 135.53 43.56 Favored 'General case' 0 N--CA 1.471 0.606 0 C-N-CA 124.818 1.247 . . . . 0.0 110.677 -174.297 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 7' ' ' CYS . . . . . . . . . . . . . 1.7 t -156.94 146.8 20.8 Favored 'General case' 0 N--CA 1.468 0.465 0 C-N-CA 123.757 0.823 . . . . 0.0 111.331 -177.346 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 8' ' ' GLY . . . . . . . . . . . . . . . 58.76 -128.18 47.03 Favored Glycine 0 CA--C 1.531 1.052 0 C-N-CA 124.059 0.837 . . . . 0.0 112.578 -179.903 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 9' ' ' SER . . . . . . . . . . . . . 20.6 m -54.62 -39.29 67.78 Favored 'General case' 0 N--CA 1.471 0.609 0 C-N-CA 124.384 1.074 . . . . 0.0 112.692 178.297 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 10' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -62.62 -36.12 81.74 Favored 'General case' 0 CA--C 1.543 0.678 0 O-C-N 121.228 -0.92 . . . . 0.0 112.518 177.182 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 16.5 tp -72.0 -44.59 63.22 Favored 'General case' 0 CA--C 1.536 0.432 0 C-N-CA 124.563 1.145 . . . . 0.0 110.87 177.724 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 92.8 t -59.66 -43.19 90.71 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.013 0 C-N-CA 124.084 0.953 . . . . 0.0 111.229 173.141 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 24.7 mt-10 -59.17 -47.21 86.15 Favored 'General case' 0 CA--C 1.533 0.319 0 C-N-CA 123.897 0.879 . . . . 0.0 111.968 173.26 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -61.36 -45.5 94.14 Favored 'General case' 0 CA--C 1.534 0.33 0 CA-C-N 119.466 1.03 . . . . 0.0 112.435 178.333 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 3.6 mm? -57.66 -37.52 73.53 Favored 'General case' 0 N--CA 1.469 0.523 0 CA-C-N 118.783 0.719 . . . . 0.0 111.73 175.341 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 16' ' ' TYR . . . . . . . . . . . . . 71.6 t80 -62.47 -45.51 92.7 Favored 'General case' 0 CA--C 1.536 0.424 0 CA-C-N 119.125 0.875 . . . . 0.0 111.656 172.372 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 97.6 mt -62.97 -49.88 72.96 Favored 'General case' 0 CA--C 1.533 0.302 0 CA-C-O 118.746 -0.645 . . . . 0.0 111.908 178.719 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 18' ' ' VAL . . . . . . . . . . . . . 0.1 OUTLIER -80.73 -37.39 16.43 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.089 0 N-CA-C 113.607 0.965 . . . . 0.0 113.607 -174.859 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 19' ' ' CYS . . . . . . . . . . . . . 47.7 t -105.79 -36.43 7.03 Favored 'General case' 0 N--CA 1.471 0.619 0 N-CA-C 113.507 0.929 . . . . 0.0 113.507 -171.405 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.081 0 C-N-CA 124.103 0.859 . . . . 0.0 112.787 -176.254 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 7.4 tp . . . . . 0 N--CA 1.486 1.362 0 N-CA-C 114.474 1.287 . . . . 0.0 114.474 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 70.7 t -57.3 -40.97 77.19 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.849 0 C-N-CA 124.235 1.014 . . . . 0.0 111.373 179.025 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 4.0 pt-20 -77.75 0.71 22.57 Favored 'General case' 0 N--CA 1.474 0.757 0 CA-C-N 119.189 0.904 . . . . 0.0 113.344 -179.824 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 15.7 tp60 -104.95 -52.64 2.81 Favored 'General case' 0 CA--C 1.537 0.477 0 C-N-CA 124.209 1.004 . . . . 0.0 110.998 167.711 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 1.5 t -98.88 -22.87 15.59 Favored 'General case' 0 N--CA 1.473 0.708 0 N-CA-C 115.58 1.696 . . . . 0.0 115.58 -166.682 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 14.6 t -73.92 -26.24 60.41 Favored 'General case' 0 N--CA 1.478 0.939 0 O-C-N 121.008 -1.058 . . . . 0.0 112.768 171.217 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 6.4 t -94.87 -34.11 12.56 Favored 'General case' 0 N--CA 1.473 0.686 0 C-N-CA 125.445 1.498 . . . . 0.0 113.181 -179.021 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 58.6 m -143.28 174.64 10.55 Favored 'General case' 0 CA--C 1.546 0.804 0 C-N-CA 125.231 1.412 . . . . 0.0 112.208 -173.618 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 22.8 mm -59.81 133.91 25.13 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.963 0 O-C-N 120.71 -1.244 . . . . 0.0 109.506 168.829 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 20.1 p -115.17 143.24 45.53 Favored 'General case' 0 N--CA 1.47 0.572 0 CA-C-O 121.697 0.76 . . . . 0.0 112.006 159.469 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 13.3 m -92.85 151.85 19.75 Favored 'General case' 0 N--CA 1.468 0.447 0 C-N-CA 124.133 0.973 . . . . 0.0 111.842 175.23 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . 0.578 ' H ' HD23 ' A' ' 13' ' ' LEU . 1.6 pt? -57.15 -42.33 80.83 Favored 'General case' 0 N--CA 1.465 0.277 0 O-C-N 121.407 -0.808 . . . . 0.0 111.815 -174.136 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 22.1 p90 -67.02 -14.25 62.72 Favored 'General case' 0 CA--C 1.537 0.458 0 N-CA-C 114.566 1.321 . . . . 0.0 114.566 -176.068 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 4.0 pt20 -114.39 -29.7 6.8 Favored 'General case' 0 N--CA 1.466 0.364 0 C-N-CA 123.747 0.819 . . . . 0.0 110.683 -179.558 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . 0.511 HD11 HG21 ' B' ' 18' ' ' VAL . 0.2 OUTLIER -68.32 -34.29 75.85 Favored 'General case' 0 CA--C 1.549 0.93 0 CA-C-N 119.336 0.971 . . . . 0.0 110.893 173.252 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 16.0 mt-10 -47.75 -38.96 16.55 Favored 'General case' 0 N--CA 1.478 0.926 0 C-N-CA 126.053 1.741 . . . . 0.0 112.586 171.203 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 8.4 m-80 -68.39 -8.53 41.12 Favored 'General case' 0 CA--C 1.545 0.777 0 C-N-CA 124.427 1.091 . . . . 0.0 113.763 -175.021 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 89.3 m-85 -97.72 -4.16 37.71 Favored 'General case' 0 CA--C 1.544 0.723 0 C-N-CA 125.594 1.558 . . . . 0.0 113.85 175.803 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 45.3 t -67.91 -33.18 74.21 Favored 'General case' 0 N--CA 1.474 0.738 0 O-C-N 121.27 -0.894 . . . . 0.0 113.09 178.522 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--O 1.253 1.261 0 C-N-CA 125.883 1.673 . . . . 0.0 113.24 178.002 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 1' ' ' PHE . . . . . . . . . . . . . 53.0 t80 . . . . . 0 N--CA 1.486 1.368 0 N-CA-C 110.757 -0.09 . . . . 0.0 110.757 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' B' B ' 2' ' ' VAL . . . . . . . . . . . . . 11.2 p -144.26 131.5 16.88 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.868 0 C-N-CA 124.871 1.268 . . . . 0.0 109.045 166.486 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 3' ' ' ASN . . . . . . . . . . . . . 70.1 m-20 -61.82 118.86 7.74 Favored 'General case' 0 CA--C 1.534 0.36 0 N-CA-C 109.499 -0.556 . . . . 0.0 109.499 173.595 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 4' ' ' GLN . . . . . . . . . . . . . 25.5 pt20 -155.45 178.4 10.28 Favored 'General case' 0 CA--C 1.533 0.296 0 CA-C-O 121.488 0.661 . . . . 0.0 111.211 -170.299 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 5' ' ' HIS . . . . . . . . . . . . . 73.3 m-70 -82.86 131.57 35.19 Favored 'General case' 0 CA--C 1.543 0.709 0 C-N-CA 124.176 0.99 . . . . 0.0 110.065 169.938 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 79.6 mt -140.76 137.61 33.53 Favored 'General case' 0 N--CA 1.471 0.582 0 C-N-CA 124.768 1.227 . . . . 0.0 110.889 -172.603 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 7' ' ' CYS . . . . . . . . . . . . . 2.1 t -155.93 146.72 22.09 Favored 'General case' 0 N--CA 1.469 0.523 0 O-C-N 121.619 -0.676 . . . . 0.0 111.831 179.589 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 8' ' ' GLY . . . . . . . . . . . . . . . 59.62 -127.16 43.95 Favored Glycine 0 N--CA 1.471 0.972 0 C-N-CA 123.986 0.803 . . . . 0.0 112.344 -179.983 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 9' ' ' SER . . . . . . . . . . . . . 20.3 m -53.87 -38.65 64.96 Favored 'General case' 0 N--CA 1.47 0.546 0 C-N-CA 124.595 1.158 . . . . 0.0 112.819 178.111 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 10' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -63.74 -35.3 80.13 Favored 'General case' 0 CA--C 1.543 0.701 0 O-C-N 121.257 -0.902 . . . . 0.0 112.543 177.288 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 14.1 tp -75.13 -41.76 57.73 Favored 'General case' 0 CA--C 1.537 0.46 0 C-N-CA 124.359 1.063 . . . . 0.0 111.029 178.268 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 92.2 t -60.1 -42.94 91.7 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.109 0 C-N-CA 124.044 0.938 . . . . 0.0 111.312 171.155 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 22.2 mt-10 -58.43 -48.37 80.91 Favored 'General case' 0 N--CA 1.465 0.29 0 C-N-CA 123.604 0.762 . . . . 0.0 111.66 171.923 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 14' ' ' ALA . . . . . 0.539 ' O ' HG22 ' B' ' 18' ' ' VAL . . . -58.83 -47.34 85.15 Favored 'General case' 0 CA--C 1.535 0.392 0 CA-C-N 119.582 1.083 . . . . 0.0 112.34 178.512 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 3.9 mm? -56.07 -36.73 68.4 Favored 'General case' 0 N--CA 1.472 0.657 0 C-N-CA 123.551 0.74 . . . . 0.0 112.068 175.85 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 16' ' ' TYR . . . . . . . . . . . . . 85.5 t80 -63.38 -43.11 98.54 Favored 'General case' 0 CA--C 1.539 0.528 0 O-C-N 121.371 -0.83 . . . . 0.0 112.275 171.052 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 83.7 mt -66.02 -50.93 62.5 Favored 'General case' 0 CA--C 1.541 0.603 0 CA-C-N 118.87 0.759 . . . . 0.0 111.961 179.742 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 18' ' ' VAL . . . . . 0.539 HG22 ' O ' ' B' ' 14' ' ' ALA . 0.0 OUTLIER -70.09 -45.27 76.78 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.112 0 N-CA-C 112.576 0.584 . . . . 0.0 112.576 -178.774 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' B' B ' 19' ' ' CYS . . . . . . . . . . . . . 15.9 t -116.58 -33.4 4.89 Favored 'General case' 0 N--CA 1.472 0.635 0 N-CA-C 114.212 1.19 . . . . 0.0 114.212 -166.391 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.474 1.175 0 C-N-CA 123.934 0.778 . . . . 0.0 112.723 -176.282 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 8.4 tp . . . . . 0 N--CA 1.479 1.024 0 N-CA-C 114.551 1.315 . . . . 0.0 114.551 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 77.3 t -70.2 -45.85 74.22 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.073 0 CA-C-N 119.506 1.048 . . . . 0.0 110.448 -175.517 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -81.37 18.79 1.07 Allowed 'General case' 0 CA--C 1.548 0.886 0 N-CA-C 113.042 0.756 . . . . 0.0 113.042 172.315 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 8.1 tp-100 -107.87 -60.5 1.7 Allowed 'General case' 0 CA--C 1.54 0.595 0 C-N-CA 124.437 1.095 . . . . 0.0 109.532 159.175 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 54.3 m -86.37 -31.32 21.56 Favored 'General case' 0 N--CA 1.469 0.52 0 N-CA-C 115.714 1.746 . . . . 0.0 115.714 -169.802 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 36.9 t -82.36 -27.13 32.32 Favored 'General case' 0 N--CA 1.476 0.833 0 CA-C-N 119.775 1.17 . . . . 0.0 113.083 -179.694 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 10.6 t -84.54 -33.46 23.47 Favored 'General case' 0 N--CA 1.476 0.845 0 C-N-CA 124.653 1.181 . . . . 0.0 112.987 178.713 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 60.2 m -146.11 169.24 19.1 Favored 'General case' 0 CA--C 1.544 0.728 0 C-N-CA 125.083 1.353 . . . . 0.0 112.266 -172.985 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 23.5 mm -56.44 131.52 19.98 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.894 0 O-C-N 121.141 -0.975 . . . . 0.0 110.019 171.215 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 14.0 p -129.04 158.07 39.93 Favored 'General case' 0 N--CA 1.469 0.48 0 CA-C-O 121.626 0.727 . . . . 0.0 112.682 168.34 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 23.0 m -119.01 154.14 33.55 Favored 'General case' 0 N--CA 1.47 0.537 0 C-N-CA 124.777 1.231 . . . . 0.0 112.609 -173.744 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . 0.506 ' H ' HD23 ' A' ' 13' ' ' LEU . 1.9 pt? -59.25 -40.02 84.67 Favored 'General case' 0 N--CA 1.463 0.218 0 O-C-N 121.42 -0.8 . . . . 0.0 112.18 -173.499 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 19.0 p90 -68.54 -13.41 62.31 Favored 'General case' 0 CA--C 1.535 0.394 0 C-N-CA 125.049 1.339 . . . . 0.0 114.144 -174.035 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 3.8 pt20 -111.43 -38.62 4.9 Favored 'General case' 0 C--O 1.223 -0.336 0 C-N-CA 124.175 0.99 . . . . 0.0 109.428 176.859 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . 0.413 HD11 HG21 ' B' ' 18' ' ' VAL . 0.3 OUTLIER -65.21 -27.37 68.63 Favored 'General case' 0 CA--C 1.549 0.907 0 CA-C-N 120.276 1.398 . . . . 0.0 112.679 -178.021 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 30.9 mt-10 -48.43 -37.93 18.43 Favored 'General case' 0 N--CA 1.481 1.082 0 C-N-CA 124.457 1.103 . . . . 0.0 112.444 168.813 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 26.8 m-80 -65.61 -21.22 66.56 Favored 'General case' 0 CA--C 1.542 0.638 0 C-N-CA 124.341 1.056 . . . . 0.0 113.028 -170.237 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 61.0 m-85 -87.82 -9.74 52.97 Favored 'General case' 0 CA--C 1.541 0.632 0 C-N-CA 125.998 1.719 . . . . 0.0 113.296 -178.304 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 16.9 t -70.8 -26.13 63.18 Favored 'General case' 0 CA--C 1.544 0.746 0 C-N-CA 123.896 0.879 . . . . 0.0 113.082 176.906 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 C--O 1.252 1.229 0 C-N-CA 126.172 1.789 . . . . 0.0 111.866 177.026 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 1' ' ' PHE . . . . . . . . . . . . . 41.3 t80 . . . . . 0 N--CA 1.485 1.321 0 N-CA-C 110.244 -0.28 . . . . 0.0 110.244 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' B' B ' 2' ' ' VAL . . . . . . . . . . . . . 86.7 t -129.51 122.56 55.67 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.995 0 C-N-CA 124.738 1.215 . . . . 0.0 108.419 171.585 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 3' ' ' ASN . . . . . . . . . . . . . 68.8 m-20 -67.88 119.7 12.99 Favored 'General case' 0 CA--C 1.536 0.408 0 C-N-CA 123.444 0.698 . . . . 0.0 109.448 175.97 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 4' ' ' GLN . . . . . . . . . . . . . 12.0 pt20 -158.66 179.23 9.3 Favored 'General case' 0 CA--C 1.534 0.351 0 C-N-CA 123.222 0.609 . . . . 0.0 112.104 -165.09 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 5' ' ' HIS . . . . . . . . . . . . . 68.8 m-70 -81.64 128.82 34.35 Favored 'General case' 0 CA--C 1.546 0.816 0 C-N-CA 124.098 0.959 . . . . 0.0 110.383 167.635 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 92.4 mt -131.58 126.83 35.79 Favored 'General case' 0 N--CA 1.47 0.553 0 C-N-CA 125.235 1.414 . . . . 0.0 110.77 -176.857 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 7' ' ' CYS . . . . . . . . . . . . . 66.6 m -134.97 144.32 47.34 Favored 'General case' 0 N--CA 1.471 0.592 0 C-N-CA 125.242 1.417 . . . . 0.0 110.431 -179.725 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 8' ' ' GLY . . . . . . . . . . . . . . . 54.79 -122.99 27.5 Favored Glycine 0 N--CA 1.474 1.175 0 C-N-CA 124.057 0.837 . . . . 0.0 113.304 170.157 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 9' ' ' SER . . . . . . . . . . . . . 20.3 m -54.35 -39.95 67.6 Favored 'General case' 0 N--CA 1.47 0.537 0 C-N-CA 124.447 1.099 . . . . 0.0 112.802 178.269 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 10' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -63.47 -38.42 91.07 Favored 'General case' 0 CA--C 1.541 0.613 0 O-C-N 121.261 -0.899 . . . . 0.0 112.242 176.676 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 17.4 tp -70.36 -44.68 67.6 Favored 'General case' 0 CA--C 1.536 0.426 0 C-N-CA 124.282 1.033 . . . . 0.0 110.951 177.655 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 75.7 t -59.92 -44.0 93.45 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.968 0 C-N-CA 124.249 1.02 . . . . 0.0 111.289 173.854 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 21.6 mt-10 -58.99 -45.07 91.52 Favored 'General case' 0 N--CA 1.468 0.451 0 C-N-CA 123.999 0.92 . . . . 0.0 112.169 173.918 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -61.64 -49.25 77.31 Favored 'General case' 0 CA--C 1.533 0.319 0 CA-C-N 118.91 0.777 . . . . 0.0 111.563 176.655 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 3.8 mm? -55.35 -38.77 69.22 Favored 'General case' 0 N--CA 1.469 0.521 0 CA-C-N 118.792 0.724 . . . . 0.0 112.06 176.78 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 16' ' ' TYR . . . . . . . . . . . . . 68.6 t80 -60.53 -45.57 93.38 Favored 'General case' 0 CA--C 1.535 0.366 0 CA-C-N 118.995 0.816 . . . . 0.0 112.089 171.896 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 95.9 mt -65.78 -48.52 71.51 Favored 'General case' 0 CA--C 1.537 0.454 0 CA-C-N 118.955 0.798 . . . . 0.0 112.19 179.445 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 18' ' ' VAL . . . . . 0.413 HG21 HD11 ' A' ' 16' ' ' LEU . 0.0 OUTLIER -79.02 -32.87 15.56 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.374 0 N-CA-C 113.563 0.949 . . . . 0.0 113.563 -175.265 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' B' B ' 19' ' ' CYS . . . . . . . . . . . . . 15.3 t -116.56 -26.77 6.94 Favored 'General case' 0 CA--C 1.543 0.691 0 N-CA-C 115.342 1.608 . . . . 0.0 115.342 -171.86 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.474 1.169 0 C-N-CA 124.358 0.98 . . . . 0.0 111.212 176.428 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 8.5 tp . . . . . 0 N--CA 1.482 1.13 0 N-CA-C 114.188 1.181 . . . . 0.0 114.188 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 84.8 t -65.48 -46.1 90.88 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.159 0 C-N-CA 123.574 0.75 . . . . 0.0 110.664 -175.725 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 17.7 pt-20 -70.86 7.47 1.15 Allowed 'General case' 0 CA--C 1.545 0.752 0 N-CA-C 113.727 1.01 . . . . 0.0 113.727 176.711 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 23.7 mm-40 -114.83 -65.9 1.14 Allowed 'General case' 0 CA--C 1.538 0.484 0 C-N-CA 124.582 1.153 . . . . 0.0 110.208 166.108 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 63.0 m -71.74 -27.94 63.33 Favored 'General case' 0 N--CA 1.473 0.718 0 N-CA-C 115.236 1.569 . . . . 0.0 115.236 -171.642 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 47.2 t -82.26 -32.32 29.68 Favored 'General case' 0 N--CA 1.476 0.855 0 CA-C-N 119.371 0.987 . . . . 0.0 113.444 178.641 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 12.4 t -86.39 -28.51 23.55 Favored 'General case' 0 N--CA 1.477 0.91 0 C-N-CA 124.179 0.992 . . . . 0.0 112.756 179.475 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 90.4 p -151.43 168.23 25.49 Favored 'General case' 0 N--CA 1.468 0.445 0 C-N-CA 124.177 0.991 . . . . 0.0 112.837 -179.791 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 12.9 mt -75.24 121.4 26.79 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.277 0 O-C-N 121.308 -0.87 . . . . 0.0 111.115 -175.662 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 28.6 p -107.35 152.32 24.31 Favored 'General case' 0 CA--C 1.538 0.51 0 C-N-CA 124.984 1.313 . . . . 0.0 111.586 175.632 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 59.3 m -97.91 152.79 18.86 Favored 'General case' 0 N--CA 1.471 0.58 0 C-N-CA 123.955 0.902 . . . . 0.0 112.233 176.877 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . 0.509 ' H ' HD23 ' A' ' 13' ' ' LEU . 1.9 pt? -59.25 -39.87 84.19 Favored 'General case' 0 CA--C 1.53 0.191 0 O-C-N 121.457 -0.777 . . . . 0.0 112.373 -174.267 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 22.4 p90 -68.78 -17.43 64.03 Favored 'General case' 0 CA--C 1.535 0.384 0 C-N-CA 124.503 1.121 . . . . 0.0 113.662 -174.596 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 3.8 pt20 -108.44 -24.82 11.26 Favored 'General case' 0 C--O 1.224 -0.288 0 C-N-CA 124.056 0.942 . . . . 0.0 111.135 178.707 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . 0.49 HD11 HG21 ' B' ' 18' ' ' VAL . 0.3 OUTLIER -74.4 -28.73 61.22 Favored 'General case' 0 CA--C 1.549 0.908 0 CA-C-N 119.727 1.149 . . . . 0.0 111.986 175.503 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 29.3 mt-10 -54.04 -34.99 61.48 Favored 'General case' 0 N--CA 1.48 1.056 0 CA-C-N 119.086 0.857 . . . . 0.0 111.848 171.212 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 8.3 m-80 -66.36 -8.46 25.57 Favored 'General case' 0 CA--C 1.549 0.905 0 N-CA-C 113.749 1.018 . . . . 0.0 113.749 -176.267 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 71.5 m-85 -98.41 -8.72 26.38 Favored 'General case' 0 CA--C 1.544 0.735 0 C-N-CA 125.863 1.665 . . . . 0.0 113.642 173.718 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 38.5 t -70.08 -31.73 69.47 Favored 'General case' 0 N--CA 1.473 0.708 0 C-N-CA 123.992 0.917 . . . . 0.0 112.938 -179.287 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--O 1.254 1.304 0 C-N-CA 126.083 1.753 . . . . 0.0 113.321 178.038 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 1' ' ' PHE . . . . . . . . . . . . . 71.3 t80 . . . . . 0 N--CA 1.487 1.38 0 CA-C-O 119.832 -0.128 . . . . 0.0 110.754 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' B' B ' 2' ' ' VAL . . . . . . . . . . . . . 96.1 t -132.08 121.74 47.23 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.955 0 C-N-CA 124.905 1.282 . . . . 0.0 108.256 169.759 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 3' ' ' ASN . . . . . . . . . . . . . 8.4 m120 -65.03 115.62 5.6 Favored 'General case' 0 CA--C 1.541 0.633 0 C-N-CA 123.784 0.834 . . . . 0.0 109.805 172.711 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 4' ' ' GLN . . . . . . . . . . . . . 14.7 pt20 -161.08 -178.14 6.56 Favored 'General case' 0 CA--C 1.537 0.475 0 C-N-CA 125.528 1.531 . . . . 0.0 110.402 -171.601 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 5' ' ' HIS . . . . . . . . . . . . . 78.6 m-70 -86.75 128.17 35.01 Favored 'General case' 0 CA--C 1.542 0.635 0 C-N-CA 123.961 0.904 . . . . 0.0 110.447 171.421 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 96.1 mt -128.39 121.55 29.34 Favored 'General case' 0 N--CA 1.468 0.465 0 C-N-CA 124.868 1.267 . . . . 0.0 110.891 -172.903 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 7' ' ' CYS . . . . . . . . . . . . . 59.0 m -134.25 142.41 47.33 Favored 'General case' 0 N--CA 1.47 0.527 0 C-N-CA 125.198 1.399 . . . . 0.0 110.293 -178.204 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 8' ' ' GLY . . . . . . . . . . . . . . . 55.6 -123.4 30.19 Favored Glycine 0 N--CA 1.473 1.157 0 C-N-CA 123.972 0.796 . . . . 0.0 113.198 171.323 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 9' ' ' SER . . . . . . . . . . . . . 20.4 m -53.95 -40.44 66.81 Favored 'General case' 0 N--CA 1.47 0.554 0 C-N-CA 124.445 1.098 . . . . 0.0 112.772 178.242 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 10' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -63.14 -38.32 90.72 Favored 'General case' 0 CA--C 1.542 0.635 0 O-C-N 121.35 -0.843 . . . . 0.0 112.207 177.506 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 21.1 tp -71.62 -44.69 63.94 Favored 'General case' 0 CA--C 1.537 0.45 0 C-N-CA 124.554 1.142 . . . . 0.0 110.993 178.097 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 73.4 t -59.31 -43.28 89.67 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.074 0 C-N-CA 124.106 0.962 . . . . 0.0 111.195 173.164 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 24.4 mt-10 -58.78 -47.89 83.14 Favored 'General case' 0 CA--C 1.533 0.325 0 C-N-CA 123.856 0.863 . . . . 0.0 111.843 173.184 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 14' ' ' ALA . . . . . 0.433 ' O ' HG23 ' B' ' 18' ' ' VAL . . . -60.99 -47.54 85.96 Favored 'General case' 0 CA--C 1.532 0.264 0 CA-C-N 119.403 1.002 . . . . 0.0 111.846 177.99 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 3.7 mm? -55.38 -38.44 68.87 Favored 'General case' 0 N--CA 1.469 0.496 0 C-N-CA 123.276 0.63 . . . . 0.0 111.899 176.679 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 16' ' ' TYR . . . . . . . . . . . . . 81.7 t80 -62.73 -46.42 88.14 Favored 'General case' 0 CA--C 1.536 0.423 0 CA-C-N 119.0 0.818 . . . . 0.0 112.206 171.369 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 96.1 mt -63.07 -44.93 94.41 Favored 'General case' 0 CA--C 1.536 0.427 0 CA-C-N 118.683 0.674 . . . . 0.0 112.339 -179.612 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 18' ' ' VAL . . . . . 0.49 HG21 HD11 ' A' ' 16' ' ' LEU . 0.1 OUTLIER -76.85 -50.34 21.41 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.07 0 CA-C-N 118.738 0.699 . . . . 0.0 111.767 -179.038 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' B' B ' 19' ' ' CYS . . . . . . . . . . . . . 35.7 t -102.26 -35.79 8.73 Favored 'General case' 0 CA--C 1.539 0.549 0 N-CA-C 113.776 1.028 . . . . 0.0 113.776 -166.251 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.471 1.024 0 C-N-CA 124.14 0.876 . . . . 0.0 112.51 -174.782 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 9.3 tp . . . . . 0 N--CA 1.482 1.132 0 N-CA-C 113.249 0.833 . . . . 0.0 113.249 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 84.6 t -64.34 -41.48 92.5 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.915 0 C-N-CA 123.71 0.804 . . . . 0.0 110.408 179.419 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 43.0 mp0 -75.64 -2.55 29.87 Favored 'General case' 0 CA--C 1.544 0.749 0 C-N-CA 123.991 0.916 . . . . 0.0 113.226 178.667 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 30.7 mm100 -95.79 -56.66 2.6 Favored 'General case' 0 CA--C 1.536 0.435 0 CA-C-N 119.07 0.85 . . . . 0.0 110.645 162.258 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 35.9 m -92.21 -28.62 16.91 Favored 'General case' 0 N--CA 1.47 0.56 0 N-CA-C 114.934 1.457 . . . . 0.0 114.934 -162.693 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 11.7 t -74.62 -25.34 59.17 Favored 'General case' 0 N--CA 1.473 0.716 0 O-C-N 121.426 -0.796 . . . . 0.0 112.885 175.16 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 6.7 t -92.82 -32.11 14.76 Favored 'General case' 0 N--CA 1.473 0.705 0 C-N-CA 124.997 1.319 . . . . 0.0 112.966 178.125 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 9' ' ' SER . . . . . 0.419 ' HA ' ' CE1' ' B' ' 5' ' ' HIS . 3.9 t -152.73 -175.21 5.2 Favored 'General case' 0 CA--C 1.543 0.698 0 N-CA-C 114.101 1.149 . . . . 0.0 114.101 -175.082 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 34.4 mm -64.78 128.31 27.16 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.454 0 C-N-CA 125.095 1.358 . . . . 0.0 111.209 178.945 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 10.2 m -112.45 130.19 56.07 Favored 'General case' 0 N--CA 1.467 0.418 0 C-N-CA 124.568 1.147 . . . . 0.0 111.536 165.595 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 48.9 m -89.44 156.33 18.74 Favored 'General case' 0 CA--C 1.537 0.45 0 C-N-CA 124.428 1.091 . . . . 0.0 111.605 165.937 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . 0.569 ' H ' HD23 ' A' ' 13' ' ' LEU . 1.5 pt? -56.72 -43.57 80.73 Favored 'General case' 0 CA--C 1.532 0.278 0 C-N-CA 123.949 0.9 . . . . 0.0 112.029 -176.86 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 26.6 p90 -69.35 -13.56 62.44 Favored 'General case' 0 CA--C 1.535 0.399 0 C-N-CA 124.833 1.253 . . . . 0.0 114.2 -170.695 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 2.2 pt20 -113.14 -26.63 8.35 Favored 'General case' 0 C--O 1.223 -0.309 0 C-N-CA 124.233 1.013 . . . . 0.0 111.05 -178.546 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -78.5 -30.12 47.03 Favored 'General case' 0 CA--C 1.548 0.884 0 C-N-CA 123.899 0.88 . . . . 0.0 111.531 177.636 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 27.7 mt-10 -50.25 -36.45 31.22 Favored 'General case' 0 N--CA 1.483 1.189 0 C-N-CA 125.285 1.434 . . . . 0.0 111.949 170.368 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 4.3 m120 -57.01 -26.28 59.98 Favored 'General case' 0 CA--C 1.541 0.621 0 C-N-CA 125.335 1.454 . . . . 0.0 112.841 -175.114 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 93.6 m-85 -88.61 -6.55 57.45 Favored 'General case' 0 CA--C 1.541 0.629 0 C-N-CA 125.978 1.711 . . . . 0.0 113.741 -177.396 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 11.6 t -75.56 -26.12 57.69 Favored 'General case' 0 CA--C 1.545 0.765 0 C-N-CA 123.492 0.717 . . . . 0.0 112.693 173.741 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 24.2 t-20 . . . . . 0 C--O 1.254 1.297 0 C-N-CA 125.636 1.574 . . . . 0.0 113.063 178.06 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' B' B ' 1' ' ' PHE . . . . . . . . . . . . . 30.0 t80 . . . . . 0 N--CA 1.487 1.383 0 N-CA-C 110.759 -0.089 . . . . 0.0 110.759 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' B' B ' 2' ' ' VAL . . . . . . . . . . . . . 12.4 p -147.21 134.62 14.26 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.863 0 C-N-CA 125.021 1.328 . . . . 0.0 109.169 168.468 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 3' ' ' ASN . . . . . . . . . . . . . 5.8 p30 -64.78 124.9 23.17 Favored 'General case' 0 CA--C 1.534 0.354 0 CA-C-O 120.768 0.318 . . . . 0.0 110.501 172.642 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 4' ' ' GLN . . . . . . . . . . . . . 23.6 pt20 -160.17 172.28 17.71 Favored 'General case' 0 CA--C 1.53 0.187 0 CA-C-O 121.804 0.811 . . . . 0.0 112.052 -165.844 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 5' ' ' HIS . . . . . 0.419 ' CE1' ' HA ' ' A' ' 9' ' ' SER . 76.5 m-70 -77.95 132.28 37.8 Favored 'General case' 0 CA--C 1.544 0.729 0 C-N-CA 124.304 1.041 . . . . 0.0 110.277 169.494 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 89.7 mt -140.33 132.32 27.78 Favored 'General case' 0 N--CA 1.47 0.572 0 C-N-CA 124.797 1.239 . . . . 0.0 110.868 -173.954 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 7' ' ' CYS . . . . . . . . . . . . . 3.0 t -155.07 145.92 22.47 Favored 'General case' 0 N--CA 1.468 0.462 0 O-C-N 121.686 -0.634 . . . . 0.0 111.81 178.2 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 8' ' ' GLY . . . . . . . . . . . . . . . 59.82 -126.65 42.41 Favored Glycine 0 CA--C 1.529 0.942 0 C-N-CA 123.866 0.746 . . . . 0.0 112.198 -179.088 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 9' ' ' SER . . . . . . . . . . . . . 20.1 m -53.48 -39.94 64.92 Favored 'General case' 0 N--CA 1.47 0.534 0 C-N-CA 124.609 1.164 . . . . 0.0 112.65 178.197 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 10' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -62.76 -38.06 89.08 Favored 'General case' 0 CA--C 1.541 0.61 0 O-C-N 121.189 -0.944 . . . . 0.0 112.503 177.915 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 15.5 tp -71.37 -44.12 65.59 Favored 'General case' 0 CA--C 1.536 0.411 0 C-N-CA 124.351 1.06 . . . . 0.0 110.776 178.43 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 83.0 t -59.89 -44.03 93.43 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.012 0 C-N-CA 123.914 0.885 . . . . 0.0 111.246 173.3 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 23.9 mt-10 -59.54 -45.71 90.98 Favored 'General case' 0 N--CA 1.466 0.332 0 C-N-CA 124.066 0.946 . . . . 0.0 112.126 173.996 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -61.37 -49.1 78.29 Favored 'General case' 0 CA--C 1.532 0.275 0 CA-C-N 119.057 0.844 . . . . 0.0 111.487 177.792 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 3.9 mm? -54.99 -37.96 67.23 Favored 'General case' 0 N--CA 1.472 0.647 0 CA-C-N 119.048 0.84 . . . . 0.0 112.049 176.856 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 16' ' ' TYR . . . . . . . . . . . . . 54.1 t80 -62.24 -43.52 98.63 Favored 'General case' 0 CA--C 1.539 0.523 0 O-C-N 121.256 -0.903 . . . . 0.0 112.408 172.004 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 95.4 mt -68.92 -46.08 69.18 Favored 'General case' 0 CA--C 1.537 0.474 0 O-C-N 121.534 -0.729 . . . . 0.0 112.556 179.976 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 18' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -78.08 -40.76 26.54 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.28 0 CA-C-N 118.998 0.817 . . . . 0.0 112.515 -178.004 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 19' ' ' CYS . . . . . . . . . . . . . 15.0 t -111.45 -39.65 4.6 Favored 'General case' 0 CA--C 1.538 0.514 0 N-CA-C 113.811 1.041 . . . . 0.0 113.811 -171.35 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.475 1.281 0 O-C-N 121.446 -0.784 . . . . 0.0 113.079 -177.854 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 7.9 tp . . . . . 0 N--CA 1.482 1.174 0 N-CA-C 113.97 1.1 . . . . 0.0 113.97 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 96.5 t -64.7 -43.93 96.57 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.188 0 O-C-N 121.417 -0.802 . . . . 0.0 111.086 -177.087 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 17.3 pt-20 -74.6 0.54 14.63 Favored 'General case' 0 CA--C 1.546 0.806 0 N-CA-C 113.649 0.981 . . . . 0.0 113.649 177.46 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 14.6 tp60 -99.75 -56.78 2.3 Favored 'General case' 0 CA--C 1.537 0.443 0 C-N-CA 123.972 0.909 . . . . 0.0 110.363 164.947 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 55.7 m -87.37 -30.2 20.95 Favored 'General case' 0 N--CA 1.468 0.438 0 N-CA-C 115.483 1.661 . . . . 0.0 115.483 -167.28 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 36.4 t -81.08 -25.31 37.13 Favored 'General case' 0 N--CA 1.476 0.846 0 O-C-N 120.938 -1.101 . . . . 0.0 113.534 -179.223 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 5.7 t -91.77 -19.21 22.83 Favored 'General case' 0 N--CA 1.474 0.73 0 C-N-CA 124.699 1.2 . . . . 0.0 113.852 -179.722 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 87.2 p -158.86 168.75 25.98 Favored 'General case' 0 CA--C 1.54 0.589 0 C-N-CA 124.167 0.987 . . . . 0.0 112.63 -171.426 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 26.8 mm -59.55 125.71 16.07 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.696 0 O-C-N 121.459 -0.776 . . . . 0.0 109.609 171.77 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 14.2 p -122.27 153.4 38.94 Favored 'General case' 0 CA--C 1.535 0.37 0 CA-C-O 121.625 0.726 . . . . 0.0 112.235 168.688 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 37.9 m -115.54 154.82 28.68 Favored 'General case' 0 N--CA 1.469 0.499 0 C-N-CA 124.156 0.983 . . . . 0.0 113.097 -172.15 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . 0.536 ' H ' HD23 ' A' ' 13' ' ' LEU . 1.6 pt? -57.76 -39.68 77.98 Favored 'General case' 0 N--CA 1.464 0.231 0 C-N-CA 123.747 0.819 . . . . 0.0 112.325 -172.481 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 21.8 p90 -70.21 -12.45 61.61 Favored 'General case' 0 CA--C 1.537 0.475 0 C-N-CA 125.283 1.433 . . . . 0.0 114.136 -174.176 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 3.9 pt20 -118.28 -26.22 6.36 Favored 'General case' 0 CA--C 1.533 0.316 0 C-N-CA 124.237 1.015 . . . . 0.0 111.096 -179.589 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -77.22 -29.85 54.35 Favored 'General case' 0 CA--C 1.547 0.864 0 CA-C-N 119.165 0.893 . . . . 0.0 111.887 178.736 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 19.4 mt-10 -54.91 -32.66 61.34 Favored 'General case' 0 N--CA 1.48 1.026 0 C-N-CA 124.035 0.934 . . . . 0.0 111.774 168.437 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 1.3 t-20 -59.67 -23.06 62.76 Favored 'General case' 0 CA--C 1.54 0.572 0 C-N-CA 124.005 0.922 . . . . 0.0 113.285 -177.318 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 82.1 m-85 -87.75 -16.15 35.03 Favored 'General case' 0 CA--C 1.542 0.645 0 C-N-CA 125.276 1.43 . . . . 0.0 113.291 176.398 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 11.2 t -79.33 -30.23 42.67 Favored 'General case' 0 CA--C 1.541 0.615 0 C-N-CA 124.238 1.015 . . . . 0.0 111.95 170.042 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 11.9 m-80 . . . . . 0 C--O 1.254 1.297 0 C-N-CA 126.006 1.722 . . . . 0.0 112.819 -178.946 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' B' B ' 1' ' ' PHE . . . . . . . . . . . . . 51.4 t80 . . . . . 0 N--CA 1.487 1.415 0 N-CA-C 111.112 0.041 . . . . 0.0 111.112 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' B' B ' 2' ' ' VAL . . . . . . . . . . . . . 10.0 p -146.55 134.64 15.5 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.813 0 C-N-CA 125.47 1.508 . . . . 0.0 108.713 165.698 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 3' ' ' ASN . . . . . . . . . . . . . 69.2 m-20 -63.7 117.34 6.72 Favored 'General case' 0 CA--C 1.538 0.492 0 C-N-CA 123.108 0.563 . . . . 0.0 109.627 178.103 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 4' ' ' GLN . . . . . . . . . . . . . 24.9 pt20 -157.84 178.89 9.74 Favored 'General case' 0 CA--C 1.534 0.333 0 CA-C-O 121.485 0.66 . . . . 0.0 112.646 -165.209 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 5' ' ' HIS . . . . . . . . . . . . . 73.7 m-70 -82.32 132.96 35.22 Favored 'General case' 0 CA--C 1.543 0.68 0 C-N-CA 124.605 1.162 . . . . 0.0 110.71 168.854 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 80.3 mt -140.36 126.36 19.59 Favored 'General case' 0 N--CA 1.469 0.523 0 C-N-CA 124.792 1.237 . . . . 0.0 111.505 -173.772 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 7' ' ' CYS . . . . . . . . . . . . . 61.1 m -135.43 142.62 45.63 Favored 'General case' 0 N--CA 1.471 0.601 0 C-N-CA 124.962 1.305 . . . . 0.0 110.361 178.875 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 8' ' ' GLY . . . . . . . . . . . . . . . 55.47 -121.59 23.29 Favored Glycine 0 N--CA 1.474 1.167 0 C-N-CA 124.049 0.833 . . . . 0.0 113.418 170.482 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 9' ' ' SER . . . . . . . . . . . . . 20.7 m -54.04 -40.55 67.2 Favored 'General case' 0 N--CA 1.47 0.557 0 C-N-CA 124.502 1.121 . . . . 0.0 112.711 177.741 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 10' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -63.39 -37.65 88.09 Favored 'General case' 0 N--CA 1.472 0.627 0 O-C-N 121.219 -0.926 . . . . 0.0 112.102 176.63 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 17.3 tp -70.97 -43.07 68.83 Favored 'General case' 0 CA--C 1.538 0.507 0 C-N-CA 124.383 1.073 . . . . 0.0 111.036 178.508 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 76.6 t -60.47 -43.76 94.9 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.05 0 C-N-CA 123.961 0.904 . . . . 0.0 111.339 171.772 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 23.5 mt-10 -59.3 -43.36 92.61 Favored 'General case' 0 N--CA 1.466 0.36 0 C-N-CA 124.012 0.925 . . . . 0.0 112.18 173.929 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 14' ' ' ALA . . . . . 0.43 ' O ' HG23 ' B' ' 18' ' ' VAL . . . -62.77 -49.85 73.35 Favored 'General case' 0 N--CA 1.453 -0.295 0 O-C-N 121.207 -0.933 . . . . 0.0 111.521 176.209 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 4.0 mm? -55.65 -37.55 68.4 Favored 'General case' 0 N--CA 1.471 0.591 0 CA-C-N 119.232 0.924 . . . . 0.0 112.097 177.8 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 16' ' ' TYR . . . . . . . . . . . . . 83.8 t80 -59.71 -50.41 73.95 Favored 'General case' 0 N--CA 1.468 0.451 0 CA-C-N 119.112 0.869 . . . . 0.0 112.093 169.058 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 97.5 mt -63.0 -42.23 99.79 Favored 'General case' 0 CA--C 1.536 0.417 0 N-CA-C 113.101 0.778 . . . . 0.0 113.101 -178.606 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 18' ' ' VAL . . . . . 0.43 HG23 ' O ' ' B' ' 14' ' ' ALA . 0.0 OUTLIER -84.61 -36.95 12.17 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.296 0 CA-C-N 119.117 0.871 . . . . 0.0 113.343 -177.026 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' B' B ' 19' ' ' CYS . . . . . . . . . . . . . 13.3 t -113.89 -29.0 7.19 Favored 'General case' 0 CA--C 1.542 0.654 0 N-CA-C 114.783 1.401 . . . . 0.0 114.783 -167.844 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.474 1.184 0 C-N-CA 124.502 1.048 . . . . 0.0 112.207 -179.578 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 6.8 tp . . . . . 0 N--CA 1.48 1.045 0 N-CA-C 114.126 1.158 . . . . 0.0 114.126 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 60.1 t -61.93 -43.19 97.15 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.091 0 O-C-N 121.318 -0.864 . . . . 0.0 109.813 179.41 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 2.4 mp0 -69.39 -6.97 33.43 Favored 'General case' 0 CA--C 1.546 0.799 0 C-N-CA 124.858 1.263 . . . . 0.0 113.491 176.844 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 19.5 tp60 -106.28 -33.36 7.81 Favored 'General case' 0 CA--C 1.539 0.557 0 C-N-CA 124.44 1.096 . . . . 0.0 112.714 176.49 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -117.02 -20.19 9.44 Favored 'General case' 0 N--CA 1.479 0.983 0 N-CA-C 116.481 2.03 . . . . 0.0 116.481 -173.715 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 49.2 t -82.9 -34.86 26.54 Favored 'General case' 0 N--CA 1.478 0.973 0 O-C-N 121.093 -1.004 . . . . 0.0 113.589 175.632 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 6.2 t -78.37 -31.04 48.27 Favored 'General case' 0 N--CA 1.478 0.947 0 C-N-CA 125.045 1.338 . . . . 0.0 112.96 179.765 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 98.9 p -162.69 167.63 22.81 Favored 'General case' 0 CA--C 1.537 0.473 0 C-N-CA 127.158 2.183 . . . . 0.0 109.904 -174.989 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 21.3 mt -72.84 126.05 32.78 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.615 0 O-C-N 121.145 -0.972 . . . . 0.0 111.447 -170.775 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 9.1 p -102.35 142.76 33.04 Favored 'General case' 0 CA--C 1.539 0.523 0 C-N-CA 123.424 0.689 . . . . 0.0 111.276 165.41 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 11.6 p -82.54 160.33 22.62 Favored 'General case' 0 C--O 1.236 0.36 0 CA-C-O 122.131 0.967 . . . . 0.0 111.822 167.177 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . 0.473 ' H ' HD23 ' A' ' 13' ' ' LEU . 1.8 pt? -54.41 -39.73 67.57 Favored 'General case' 0 CA--C 1.531 0.224 0 C-N-CA 123.164 0.585 . . . . 0.0 111.893 174.649 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 12.4 p90 -72.1 -12.76 61.35 Favored 'General case' 0 C--O 1.233 0.221 0 N-CA-C 114.363 1.246 . . . . 0.0 114.363 -169.233 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 15.8 pt20 -110.09 -25.78 10.03 Favored 'General case' 0 CA--C 1.532 0.277 0 C-N-CA 123.914 0.886 . . . . 0.0 110.855 176.895 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . 0.584 HD11 HG21 ' B' ' 18' ' ' VAL . 0.3 OUTLIER -77.34 -27.42 52.75 Favored 'General case' 0 CA--C 1.546 0.807 0 CA-C-N 118.871 0.759 . . . . 0.0 111.674 176.856 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 29.8 mt-10 -50.99 -32.48 21.3 Favored 'General case' 0 N--CA 1.48 1.07 0 C-N-CA 124.889 1.275 . . . . 0.0 111.795 167.46 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 1.1 t-20 -64.44 -17.87 64.21 Favored 'General case' 0 CA--C 1.542 0.644 0 C-N-CA 124.809 1.243 . . . . 0.0 113.393 -176.675 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 82.3 m-85 -95.43 1.24 54.06 Favored 'General case' 0 CA--C 1.547 0.837 0 C-N-CA 126.485 1.914 . . . . 0.0 113.284 177.718 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 42.6 t -67.26 -33.02 74.45 Favored 'General case' 0 N--CA 1.474 0.726 0 C-N-CA 124.667 1.187 . . . . 0.0 113.288 176.913 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--O 1.252 1.203 0 C-N-CA 125.939 1.695 . . . . 0.0 113.013 177.128 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 1' ' ' PHE . . . . . . . . . . . . . 71.5 t80 . . . . . 0 N--CA 1.487 1.401 0 CA-C-O 119.832 -0.128 . . . . 0.0 110.849 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' B' B ' 2' ' ' VAL . . . . . . . . . . . . . 85.3 t -130.59 124.68 57.49 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.864 0 C-N-CA 125.179 1.392 . . . . 0.0 108.198 170.131 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 3' ' ' ASN . . . . . . . . . . . . . 3.6 m-80 -67.06 111.03 3.64 Favored 'General case' 0 CA--C 1.541 0.627 0 C-N-CA 123.118 0.567 . . . . 0.0 109.77 170.514 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 4' ' ' GLN . . . . . . . . . . . . . 25.5 pt20 -161.2 175.91 11.83 Favored 'General case' 0 CA--C 1.536 0.411 0 C-N-CA 126.385 1.874 . . . . 0.0 109.877 -174.433 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 5' ' ' HIS . . . . . . . . . . . . . 76.7 m-70 -80.53 127.97 33.06 Favored 'General case' 0 CA--C 1.54 0.579 0 C-N-CA 123.356 0.662 . . . . 0.0 110.116 173.006 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 96.5 mt -129.52 132.49 46.88 Favored 'General case' 0 N--CA 1.468 0.451 0 C-N-CA 124.342 1.057 . . . . 0.0 110.84 -174.537 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 7' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -154.41 147.07 24.2 Favored 'General case' 0 N--CA 1.467 0.421 0 C-N-CA 123.831 0.852 . . . . 0.0 110.976 -177.589 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 8' ' ' GLY . . . . . . . . . . . . . . . 57.67 -126.47 42.33 Favored Glycine 0 CA--C 1.53 0.971 0 C-N-CA 123.796 0.712 . . . . 0.0 112.755 179.28 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 9' ' ' SER . . . . . . . . . . . . . 8.1 p -50.42 -42.54 54.01 Favored 'General case' 0 N--CA 1.471 0.597 0 C-N-CA 125.196 1.398 . . . . 0.0 113.262 176.045 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 10' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -64.8 -37.41 87.54 Favored 'General case' 0 CA--C 1.541 0.6 0 O-C-N 121.258 -0.901 . . . . 0.0 112.635 178.999 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 15.4 tp -72.35 -43.37 64.17 Favored 'General case' 0 CA--C 1.536 0.412 0 C-N-CA 124.025 0.93 . . . . 0.0 110.925 176.995 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 79.5 t -59.8 -42.9 90.46 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.959 0 C-N-CA 123.981 0.913 . . . . 0.0 111.168 173.614 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 18.8 mt-10 -60.6 -44.66 96.01 Favored 'General case' 0 N--CA 1.468 0.471 0 C-N-CA 123.927 0.891 . . . . 0.0 112.461 174.054 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -61.86 -48.8 78.91 Favored 'General case' 0 CA--C 1.534 0.342 0 CA-C-N 118.892 0.769 . . . . 0.0 111.669 175.885 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 4.1 mm? -58.0 -37.04 73.53 Favored 'General case' 0 N--CA 1.47 0.543 0 CA-C-N 118.784 0.72 . . . . 0.0 111.753 175.969 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 16' ' ' TYR . . . . . . . . . . . . . 80.4 t80 -58.49 -41.74 85.99 Favored 'General case' 0 CA--C 1.537 0.442 0 CA-C-N 120.479 1.491 . . . . 0.0 112.164 172.325 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 93.4 mt -71.48 -48.1 51.29 Favored 'General case' 0 CA--C 1.542 0.64 0 CA-C-O 118.904 -0.569 . . . . 0.0 112.43 179.875 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 18' ' ' VAL . . . . . 0.584 HG21 HD11 ' A' ' 16' ' ' LEU . 0.0 OUTLIER -82.51 -29.52 8.97 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.55 0 N-CA-C 113.722 1.008 . . . . 0.0 113.722 -175.725 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' B' B ' 19' ' ' CYS . . . . . . . . . . . . . 53.6 t -114.74 -44.43 3.06 Favored 'General case' 0 CA--C 1.54 0.59 0 C-N-CA 124.313 1.045 . . . . 0.0 113.308 -173.703 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.476 1.303 0 C-N-CA 123.757 0.694 . . . . 0.0 113.951 -169.684 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 8.0 tp . . . . . 0 N--CA 1.481 1.078 0 N-CA-C 113.733 1.012 . . . . 0.0 113.733 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 84.0 t -63.76 -44.93 98.44 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.04 0 CA-C-N 119.131 0.878 . . . . 0.0 110.027 178.297 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 46.0 mp0 -71.87 -3.52 22.88 Favored 'General case' 0 CA--C 1.545 0.788 0 C-N-CA 124.719 1.208 . . . . 0.0 112.942 176.737 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 9.8 tp-100 -101.18 -55.72 2.48 Favored 'General case' 0 CA--C 1.538 0.482 0 C-N-CA 124.478 1.111 . . . . 0.0 110.921 172.29 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 2.6 t -99.63 -20.1 16.49 Favored 'General case' 0 N--CA 1.473 0.678 0 N-CA-C 115.468 1.655 . . . . 0.0 115.468 -167.932 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 34.2 t -81.11 -26.61 36.04 Favored 'General case' 0 N--CA 1.477 0.877 0 O-C-N 120.752 -1.217 . . . . 0.0 113.228 174.005 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 5.9 t -83.79 -32.97 25.07 Favored 'General case' 0 N--CA 1.475 0.808 0 C-N-CA 124.368 1.067 . . . . 0.0 112.918 178.12 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 94.1 p -154.55 170.95 20.26 Favored 'General case' 0 CA--C 1.545 0.767 0 C-N-CA 124.964 1.306 . . . . 0.0 112.48 -175.482 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 20.2 mm -57.19 133.17 21.81 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.959 0 O-C-N 121.102 -0.999 . . . . 0.0 110.967 179.862 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 2.6 p -126.7 161.75 27.4 Favored 'General case' 0 N--CA 1.472 0.669 0 N-CA-C 113.839 1.052 . . . . 0.0 113.839 165.669 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 51.5 m -117.57 155.28 30.08 Favored 'General case' 0 N--CA 1.47 0.559 0 C-N-CA 125.625 1.57 . . . . 0.0 112.505 -176.668 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . 0.555 ' H ' HD23 ' A' ' 13' ' ' LEU . 1.6 pt? -57.03 -42.68 80.87 Favored 'General case' 0 N--CA 1.463 0.215 0 C-N-CA 124.292 1.037 . . . . 0.0 112.164 -173.611 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 21.6 p90 -67.33 -12.21 59.6 Favored 'General case' 0 CA--C 1.536 0.429 0 C-N-CA 125.198 1.399 . . . . 0.0 114.718 -173.766 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 3.8 pt20 -118.69 -30.5 5.1 Favored 'General case' 0 CA--C 1.533 0.312 0 C-N-CA 124.362 1.065 . . . . 0.0 110.655 -178.335 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . 0.512 HD11 HG21 ' B' ' 18' ' ' VAL . 0.2 OUTLIER -69.46 -33.68 73.26 Favored 'General case' 0 CA--C 1.549 0.93 0 CA-C-N 119.048 0.84 . . . . 0.0 111.184 174.833 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 17.1 mt-10 -46.58 -39.31 10.84 Favored 'General case' 0 N--CA 1.48 1.042 0 C-N-CA 126.131 1.772 . . . . 0.0 112.107 169.202 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 1.3 t-20 -63.26 -18.33 63.44 Favored 'General case' 0 CA--C 1.54 0.58 0 C-N-CA 125.392 1.477 . . . . 0.0 113.955 -173.994 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 85.5 m-85 -91.46 -6.57 52.48 Favored 'General case' 0 CA--C 1.541 0.627 0 C-N-CA 125.772 1.629 . . . . 0.0 113.782 178.661 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 38.8 t -68.57 -32.63 72.68 Favored 'General case' 0 N--CA 1.474 0.767 0 N-CA-C 113.241 0.83 . . . . 0.0 113.241 -178.478 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--O 1.252 1.199 0 C-N-CA 125.644 1.577 . . . . 0.0 113.202 178.672 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 1' ' ' PHE . . . . . . . . . . . . . 53.2 t80 . . . . . 0 N--CA 1.486 1.348 0 CA-C-O 119.658 -0.211 . . . . 0.0 110.714 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' B' B ' 2' ' ' VAL . . . . . . . . . . . . . 92.8 t -131.11 123.66 54.13 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.018 0 C-N-CA 124.916 1.286 . . . . 0.0 108.81 172.148 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 3' ' ' ASN . . . . . . . . . . . . . 5.8 m120 -67.05 111.57 3.93 Favored 'General case' 0 CA--C 1.541 0.628 0 C-N-CA 124.928 1.291 . . . . 0.0 109.402 177.377 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 4' ' ' GLN . . . . . . . . . . . . . 16.2 pt20 -157.17 179.29 9.42 Favored 'General case' 0 CA--C 1.536 0.423 0 O-C-N 121.591 -0.693 . . . . 0.0 112.4 -167.681 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 5' ' ' HIS . . . . . . . . . . . . . 64.6 m-70 -83.87 132.46 34.79 Favored 'General case' 0 CA--C 1.543 0.694 0 C-N-CA 124.585 1.154 . . . . 0.0 110.154 167.742 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 91.8 mt -134.52 129.71 35.53 Favored 'General case' 0 N--CA 1.47 0.535 0 C-N-CA 124.503 1.121 . . . . 0.0 110.876 -176.144 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 7' ' ' CYS . . . . . . . . . . . . . 66.7 m -137.27 143.77 42.37 Favored 'General case' 0 N--CA 1.471 0.595 0 C-N-CA 125.092 1.357 . . . . 0.0 110.408 -178.925 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 8' ' ' GLY . . . . . . . . . . . . . . . 54.74 -122.69 26.17 Favored Glycine 0 N--CA 1.473 1.147 0 C-N-CA 124.148 0.88 . . . . 0.0 113.297 170.439 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 9' ' ' SER . . . . . . . . . . . . . 20.3 m -54.05 -39.71 66.48 Favored 'General case' 0 N--CA 1.469 0.51 0 C-N-CA 124.622 1.169 . . . . 0.0 112.84 178.318 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 10' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -64.69 -36.04 83.0 Favored 'General case' 0 CA--C 1.54 0.591 0 O-C-N 121.278 -0.889 . . . . 0.0 112.292 177.157 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 16.1 tp -74.24 -42.14 60.18 Favored 'General case' 0 CA--C 1.539 0.55 0 C-N-CA 124.664 1.186 . . . . 0.0 111.066 178.332 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 68.9 t -60.59 -43.32 94.38 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.08 0 C-N-CA 124.355 1.062 . . . . 0.0 111.36 171.331 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 20.7 mt-10 -57.65 -48.24 80.03 Favored 'General case' 0 N--CA 1.465 0.305 0 C-N-CA 123.482 0.713 . . . . 0.0 111.568 171.901 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 14' ' ' ALA . . . . . 0.564 ' O ' HG22 ' B' ' 18' ' ' VAL . . . -58.77 -48.22 81.99 Favored 'General case' 0 CA--C 1.534 0.335 0 CA-C-N 119.27 0.941 . . . . 0.0 112.189 177.807 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 3.8 mm? -55.38 -36.83 66.8 Favored 'General case' 0 N--CA 1.471 0.616 0 C-N-CA 123.535 0.734 . . . . 0.0 112.16 176.276 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 16' ' ' TYR . . . . . . . . . . . . . 81.7 t80 -63.27 -44.33 95.42 Favored 'General case' 0 CA--C 1.537 0.452 0 O-C-N 121.446 -0.784 . . . . 0.0 112.182 171.13 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 86.0 mt -65.06 -51.27 62.44 Favored 'General case' 0 N--CA 1.468 0.472 0 CA-C-N 119.203 0.91 . . . . 0.0 111.959 179.375 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 18' ' ' VAL . . . . . 0.564 HG22 ' O ' ' B' ' 14' ' ' ALA . 0.0 OUTLIER -71.03 -42.15 76.68 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.019 0 N-CA-C 112.853 0.686 . . . . 0.0 112.853 -176.939 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' B' B ' 19' ' ' CYS . . . . . . . . . . . . . 13.9 t -116.98 -33.35 4.76 Favored 'General case' 0 N--CA 1.473 0.693 0 N-CA-C 114.43 1.27 . . . . 0.0 114.43 -167.915 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.472 1.094 0 C-N-CA 123.848 0.737 . . . . 0.0 112.172 -176.482 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 6.4 tp . . . . . 0 N--CA 1.484 1.235 0 N-CA-C 113.663 0.986 . . . . 0.0 113.663 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 87.3 t -63.14 -43.3 98.81 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.06 0 O-C-N 121.483 -0.76 . . . . 0.0 110.422 174.808 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 36.2 tt0 -73.58 -7.9 53.79 Favored 'General case' 0 CA--C 1.548 0.887 0 C-N-CA 124.015 0.926 . . . . 0.0 112.608 175.583 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 46.4 tp60 -93.9 -40.36 10.19 Favored 'General case' 0 CA--C 1.538 0.499 0 O-C-N 121.058 -1.027 . . . . 0.0 112.278 172.662 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -120.84 -17.68 7.84 Favored 'General case' 0 N--CA 1.479 1.012 0 N-CA-C 117.263 2.32 . . . . 0.0 117.263 -171.231 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 43.1 t -84.96 -38.02 19.8 Favored 'General case' 0 N--CA 1.481 1.083 0 O-C-N 120.789 -1.194 . . . . 0.0 113.48 176.284 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 6.1 t -74.12 -30.63 62.41 Favored 'General case' 0 N--CA 1.478 0.963 0 C-N-CA 124.751 1.221 . . . . 0.0 112.741 179.624 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 89.3 p -165.45 168.43 16.64 Favored 'General case' 0 CA--C 1.538 0.487 0 C-N-CA 127.393 2.277 . . . . 0.0 110.003 -175.119 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 17.2 mt -73.38 128.19 35.82 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.669 0 O-C-N 121.111 -0.993 . . . . 0.0 112.075 -170.303 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 14.6 p -99.47 170.17 8.8 Favored 'General case' 0 CA--C 1.54 0.579 0 C-N-CA 124.14 0.976 . . . . 0.0 112.935 170.07 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 66.6 m -116.12 153.82 31.08 Favored 'General case' 0 N--CA 1.468 0.443 0 C-N-CA 124.819 1.248 . . . . 0.0 111.746 171.555 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . 0.537 ' H ' HD23 ' A' ' 13' ' ' LEU . 1.6 pt? -54.66 -42.93 71.9 Favored 'General case' 0 N--CA 1.464 0.253 0 C-N-CA 124.141 0.977 . . . . 0.0 112.272 -175.722 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 29.8 p90 -67.34 -20.07 65.53 Favored 'General case' 0 CA--C 1.534 0.359 0 N-CA-C 113.582 0.956 . . . . 0.0 113.582 -173.261 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 3.4 pt20 -107.29 -23.89 12.08 Favored 'General case' 0 CA--C 1.532 0.271 0 C-N-CA 123.948 0.899 . . . . 0.0 111.065 179.815 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . 0.609 HD11 HG21 ' B' ' 18' ' ' VAL . 0.2 OUTLIER -75.95 -32.54 59.59 Favored 'General case' 0 CA--C 1.548 0.875 0 CA-C-N 119.308 0.958 . . . . 0.0 111.512 173.639 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 33.2 mt-10 -53.49 -36.34 61.58 Favored 'General case' 0 N--CA 1.481 1.087 0 C-N-CA 125.196 1.398 . . . . 0.0 111.628 171.18 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 7.6 m-80 -64.74 -11.9 41.32 Favored 'General case' 0 CA--C 1.547 0.842 0 C-N-CA 124.165 0.986 . . . . 0.0 113.58 -178.299 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 89.3 m-85 -92.5 -17.29 24.69 Favored 'General case' 0 CA--C 1.542 0.639 0 C-N-CA 124.936 1.294 . . . . 0.0 113.397 171.63 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 13.5 t -77.81 -31.63 51.83 Favored 'General case' 0 CA--C 1.542 0.653 0 C-N-CA 123.761 0.825 . . . . 0.0 111.842 167.81 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 11.6 m-80 . . . . . 0 C--O 1.253 1.257 0 C-N-CA 125.801 1.64 . . . . 0.0 112.722 179.416 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' B' B ' 1' ' ' PHE . . . . . . . . . . . . . 80.4 t80 . . . . . 0 N--CA 1.487 1.382 0 CA-C-O 119.6 -0.238 . . . . 0.0 110.599 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' B' B ' 2' ' ' VAL . . . . . . . . . . . . . 97.7 t -126.95 116.41 44.59 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.958 0 C-N-CA 124.748 1.219 . . . . 0.0 108.199 169.635 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 3' ' ' ASN . . . . . . . . . . . . . 9.1 m120 -66.25 114.24 5.19 Favored 'General case' 0 CA--C 1.539 0.556 0 C-N-CA 123.694 0.798 . . . . 0.0 109.908 173.328 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 4' ' ' GLN . . . . . . . . . . . . . 19.3 pt20 -160.9 -178.11 6.59 Favored 'General case' 0 CA--C 1.536 0.414 0 C-N-CA 125.82 1.648 . . . . 0.0 109.979 -173.277 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 5' ' ' HIS . . . . . . . . . . . . . 80.0 m-70 -85.89 125.09 33.07 Favored 'General case' 0 CA--C 1.541 0.602 0 C-N-CA 123.468 0.707 . . . . 0.0 110.06 172.235 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 95.7 mt -127.95 130.36 48.31 Favored 'General case' 0 N--CA 1.467 0.384 0 C-N-CA 124.795 1.238 . . . . 0.0 110.486 -175.05 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 7' ' ' CYS . . . . . . . . . . . . . 0.6 OUTLIER -149.94 147.39 27.83 Favored 'General case' 0 N--CA 1.468 0.475 0 C-N-CA 123.685 0.794 . . . . 0.0 111.453 -178.416 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 8' ' ' GLY . . . . . . . . . . . . . . . 55.55 -125.22 35.93 Favored Glycine 0 CA--C 1.53 0.983 0 C-N-CA 124.036 0.827 . . . . 0.0 112.519 178.287 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 9' ' ' SER . . . . . . . . . . . . . 20.2 m -53.5 -40.35 65.31 Favored 'General case' 0 N--CA 1.469 0.515 0 C-N-CA 124.498 1.119 . . . . 0.0 112.777 177.784 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 10' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -63.94 -36.93 85.57 Favored 'General case' 0 CA--C 1.543 0.684 0 O-C-N 121.23 -0.918 . . . . 0.0 112.462 178.5 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 17.5 tp -72.16 -44.85 62.43 Favored 'General case' 0 CA--C 1.536 0.421 0 C-N-CA 124.697 1.199 . . . . 0.0 110.652 177.812 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 72.4 t -59.6 -43.6 91.43 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.05 0 C-N-CA 124.003 0.921 . . . . 0.0 111.294 173.183 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 23.3 mt-10 -59.2 -44.93 92.23 Favored 'General case' 0 N--CA 1.467 0.382 0 C-N-CA 124.142 0.977 . . . . 0.0 112.242 174.071 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 14' ' ' ALA . . . . . 0.432 ' O ' HG23 ' B' ' 18' ' ' VAL . . . -61.8 -49.79 74.92 Favored 'General case' 0 N--CA 1.454 -0.267 0 CA-C-N 119.15 0.886 . . . . 0.0 111.15 176.975 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 3.8 mm? -52.67 -41.08 63.51 Favored 'General case' 0 N--CA 1.472 0.627 0 C-N-CA 123.681 0.793 . . . . 0.0 112.156 177.358 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 16' ' ' TYR . . . . . . . . . . . . . 81.8 t80 -60.47 -46.37 90.35 Favored 'General case' 0 CA--C 1.536 0.415 0 O-C-N 121.853 -0.529 . . . . 0.0 112.146 172.732 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 96.0 mt -66.41 -45.49 79.76 Favored 'General case' 0 CA--C 1.537 0.45 0 CA-C-N 118.829 0.74 . . . . 0.0 112.626 179.554 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 18' ' ' VAL . . . . . 0.609 HG21 HD11 ' A' ' 16' ' ' LEU . 0.1 OUTLIER -74.37 -42.23 50.11 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.236 0 CA-C-N 118.882 0.764 . . . . 0.0 111.183 -176.229 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' B' B ' 19' ' ' CYS . . . . . . . . . . . . . 21.2 t -110.23 -41.91 4.29 Favored 'General case' 0 CA--C 1.537 0.455 0 N-CA-C 114.279 1.214 . . . . 0.0 114.279 -167.268 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.474 1.175 0 C-N-CA 123.997 0.808 . . . . 0.0 112.284 -170.957 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 9.9 tp . . . . . 0 N--CA 1.484 1.237 0 N-CA-C 113.589 0.959 . . . . 0.0 113.589 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 77.4 t -63.55 -44.12 98.55 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.265 0 C-N-CA 124.196 0.998 . . . . 0.0 111.086 -176.281 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 17.3 pt-20 -74.45 5.08 5.02 Favored 'General case' 0 CA--C 1.545 0.784 0 N-CA-C 113.574 0.953 . . . . 0.0 113.574 176.843 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -101.48 -62.85 1.2 Allowed 'General case' 0 CA--C 1.54 0.582 0 CA-C-N 118.816 0.734 . . . . 0.0 109.355 157.704 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 38.5 m -79.32 -32.06 43.29 Favored 'General case' 0 N--CA 1.472 0.628 0 N-CA-C 115.235 1.568 . . . . 0.0 115.235 -163.581 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 12.2 t -73.63 -20.68 60.52 Favored 'General case' 0 N--CA 1.472 0.66 0 O-C-N 121.472 -0.767 . . . . 0.0 112.908 177.803 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 9.7 t -105.63 -31.23 9.02 Favored 'General case' 0 N--CA 1.473 0.686 0 C-N-CA 125.288 1.435 . . . . 0.0 113.121 -178.32 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 22.8 m -144.31 172.49 12.85 Favored 'General case' 0 CA--C 1.548 0.895 0 C-N-CA 125.544 1.538 . . . . 0.0 112.984 -175.835 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 21.3 mm -60.31 131.99 25.38 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.964 0 O-C-N 120.673 -1.267 . . . . 0.0 111.021 178.309 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 2.9 m -112.97 155.02 25.5 Favored 'General case' 0 N--CA 1.468 0.432 0 C-N-CA 125.438 1.495 . . . . 0.0 112.346 166.123 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 47.2 m -137.42 151.31 48.39 Favored 'General case' 0 C--O 1.236 0.343 0 C-N-CA 125.91 1.684 . . . . 0.0 110.277 -177.585 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . 0.528 ' H ' HD23 ' A' ' 13' ' ' LEU . 1.7 pt? -56.67 -38.71 72.6 Favored 'General case' 0 N--CA 1.464 0.23 0 C-N-CA 123.83 0.852 . . . . 0.0 112.339 -170.803 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 24.1 p90 -68.67 -12.6 61.59 Favored 'General case' 0 CA--C 1.534 0.364 0 C-N-CA 125.242 1.417 . . . . 0.0 114.389 -175.53 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 3.8 pt20 -119.08 -30.03 5.09 Favored 'General case' 0 C--O 1.222 -0.344 0 C-N-CA 123.37 0.668 . . . . 0.0 111.256 178.541 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . 0.597 HD11 HG21 ' B' ' 18' ' ' VAL . 0.2 OUTLIER -74.04 -30.65 62.52 Favored 'General case' 0 CA--C 1.548 0.868 0 CA-C-N 119.542 1.064 . . . . 0.0 111.4 -177.827 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 23.8 mt-10 -53.16 -29.77 33.4 Favored 'General case' 0 N--CA 1.479 0.982 0 C-N-CA 124.715 1.206 . . . . 0.0 112.796 169.895 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 78.6 m-20 -62.95 -22.21 66.63 Favored 'General case' 0 CA--C 1.539 0.532 0 C-N-CA 123.791 0.836 . . . . 0.0 112.616 -177.799 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 63.5 m-85 -92.08 -11.51 35.58 Favored 'General case' 0 CA--C 1.543 0.709 0 C-N-CA 125.886 1.674 . . . . 0.0 112.8 178.622 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 12.3 t -81.18 -29.11 34.7 Favored 'General case' 0 N--CA 1.473 0.702 0 C-N-CA 123.579 0.752 . . . . 0.0 111.828 165.915 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 12.6 m-80 . . . . . 0 C--O 1.254 1.336 0 C-N-CA 125.683 1.593 . . . . 0.0 112.844 179.453 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' B' B ' 1' ' ' PHE . . . . . . . . . . . . . 38.7 t80 . . . . . 0 N--CA 1.487 1.417 0 CA-C-O 119.887 -0.101 . . . . 0.0 110.738 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' B' B ' 2' ' ' VAL . . . . . . . . . . . . . 3.3 p -138.77 123.41 21.4 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.945 0 C-N-CA 125.183 1.393 . . . . 0.0 110.191 173.773 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 3' ' ' ASN . . . . . . . . . . . . . 72.9 m-20 -78.8 118.03 20.47 Favored 'General case' 0 CA--C 1.537 0.443 0 N-CA-C 109.164 -0.68 . . . . 0.0 109.164 173.88 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 4' ' ' GLN . . . . . . . . . . . . . 13.2 pt20 -165.93 -178.13 4.58 Favored 'General case' 0 CA--C 1.537 0.453 0 C-N-CA 124.202 1.001 . . . . 0.0 111.818 -171.609 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 5' ' ' HIS . . . . . . . . . . . . . 70.7 m-70 -77.66 137.98 38.83 Favored 'General case' 0 CA--C 1.544 0.728 0 C-N-CA 124.366 1.067 . . . . 0.0 109.882 167.484 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 80.1 mt -143.76 133.32 23.56 Favored 'General case' 0 N--CA 1.472 0.627 0 C-N-CA 124.716 1.206 . . . . 0.0 110.631 -172.916 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 7' ' ' CYS . . . . . . . . . . . . . 2.6 t -155.42 147.71 23.78 Favored 'General case' 0 N--CA 1.47 0.527 0 C-N-CA 123.56 0.744 . . . . 0.0 111.458 179.233 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 8' ' ' GLY . . . . . . . . . . . . . . . 59.99 -129.04 47.5 Favored Glycine 0 CA--C 1.53 1.03 0 C-N-CA 123.808 0.718 . . . . 0.0 112.26 -179.201 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 9' ' ' SER . . . . . . . . . . . . . 20.3 m -54.8 -36.55 65.06 Favored 'General case' 0 N--CA 1.47 0.539 0 C-N-CA 124.566 1.146 . . . . 0.0 112.998 179.131 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 10' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -64.27 -37.85 88.95 Favored 'General case' 0 N--CA 1.472 0.662 0 O-C-N 121.289 -0.882 . . . . 0.0 112.322 176.337 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 15.8 tp -73.68 -43.28 59.77 Favored 'General case' 0 CA--C 1.535 0.381 0 C-N-CA 124.387 1.075 . . . . 0.0 111.212 178.085 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 74.5 t -59.23 -42.74 87.93 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.022 0 C-N-CA 123.988 0.915 . . . . 0.0 110.983 173.04 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 17.7 mm-40 -60.8 -50.5 73.21 Favored 'General case' 0 N--CA 1.464 0.266 0 CA-C-O 118.273 -0.87 . . . . 0.0 111.57 171.569 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 14' ' ' ALA . . . . . 0.583 ' O ' HG22 ' B' ' 18' ' ' VAL . . . -54.7 -48.97 71.81 Favored 'General case' 0 CA--C 1.534 0.35 0 CA-C-N 120.317 1.417 . . . . 0.0 111.917 179.778 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 4.2 mm? -56.25 -37.24 69.49 Favored 'General case' 0 N--CA 1.471 0.609 0 C-N-CA 123.647 0.779 . . . . 0.0 112.175 174.898 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 16' ' ' TYR . . . . . . . . . . . . . 84.7 t80 -63.12 -45.25 92.86 Favored 'General case' 0 CA--C 1.539 0.543 0 CA-C-N 119.109 0.868 . . . . 0.0 112.413 169.886 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 91.1 mt -66.95 -45.71 76.95 Favored 'General case' 0 CA--C 1.535 0.402 0 O-C-N 121.55 -0.719 . . . . 0.0 112.853 -176.632 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 18' ' ' VAL . . . . . 0.597 HG21 HD11 ' A' ' 16' ' ' LEU . 0.0 OUTLIER -70.28 -48.46 60.82 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.073 0 C-N-CA 122.939 0.496 . . . . 0.0 111.847 176.018 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' B' B ' 19' ' ' CYS . . . . . . . . . . . . . 7.9 t -120.83 -39.92 2.68 Favored 'General case' 0 N--CA 1.469 0.512 0 N-CA-C 114.26 1.207 . . . . 0.0 114.26 -163.41 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.475 1.257 0 O-C-N 121.17 -0.956 . . . . 0.0 113.753 -168.343 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 9.0 tp . . . . . 0 N--CA 1.481 1.081 0 N-CA-C 114.45 1.278 . . . . 0.0 114.45 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 74.8 t -68.09 -47.71 77.43 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.089 0 CA-C-N 118.916 0.78 . . . . 0.0 110.501 -173.779 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 12.6 pm0 -70.25 9.13 0.63 Allowed 'General case' 0 CA--C 1.547 0.838 0 C-N-CA 124.638 1.175 . . . . 0.0 113.648 175.942 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 23.9 mm-40 -114.1 -64.98 1.23 Allowed 'General case' 0 CA--C 1.537 0.48 0 C-N-CA 124.805 1.242 . . . . 0.0 110.078 164.787 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 68.7 m -71.0 -32.84 69.76 Favored 'General case' 0 N--CA 1.474 0.751 0 N-CA-C 115.117 1.525 . . . . 0.0 115.117 -173.201 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 26.6 t -74.89 -28.46 60.65 Favored 'General case' 0 N--CA 1.477 0.886 0 O-C-N 121.127 -0.983 . . . . 0.0 113.344 179.637 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 6.9 t -99.5 -21.52 15.9 Favored 'General case' 0 N--CA 1.476 0.841 0 C-N-CA 125.088 1.355 . . . . 0.0 113.357 -177.738 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 94.5 p -156.02 169.43 24.48 Favored 'General case' 0 N--CA 1.468 0.468 0 C-N-CA 124.609 1.164 . . . . 0.0 112.605 -177.34 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 11.6 mt -76.02 122.59 30.4 Favored 'Isoleucine or valine' 0 C--O 1.234 0.258 0 O-C-N 121.388 -0.82 . . . . 0.0 111.254 -177.481 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 29.9 p -109.96 144.07 39.01 Favored 'General case' 0 CA--C 1.537 0.471 0 C-N-CA 125.219 1.408 . . . . 0.0 110.987 175.309 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 42.4 m -93.87 151.47 19.56 Favored 'General case' 0 N--CA 1.471 0.59 0 C-N-CA 123.597 0.759 . . . . 0.0 111.951 179.845 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . 0.478 ' H ' HD23 ' A' ' 13' ' ' LEU . 1.8 pt? -58.79 -39.58 81.51 Favored 'General case' 0 CA--C 1.531 0.231 0 O-C-N 121.305 -0.872 . . . . 0.0 111.967 -174.318 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 19.1 p90 -69.08 -12.56 61.8 Favored 'General case' 0 CA--C 1.536 0.416 0 C-N-CA 125.043 1.337 . . . . 0.0 114.264 -175.313 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 3.9 pt20 -114.84 -27.6 7.36 Favored 'General case' 0 CA--C 1.532 0.266 0 C-N-CA 124.064 0.946 . . . . 0.0 110.899 178.833 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -71.54 -29.59 64.93 Favored 'General case' 0 CA--C 1.547 0.848 0 CA-C-N 119.385 0.993 . . . . 0.0 111.795 176.917 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 33.7 mt-10 -49.7 -38.72 34.16 Favored 'General case' 0 N--CA 1.481 1.089 0 C-N-CA 124.607 1.163 . . . . 0.0 111.646 168.842 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 1.3 t-20 -62.65 -19.22 63.59 Favored 'General case' 0 CA--C 1.541 0.606 0 C-N-CA 125.155 1.382 . . . . 0.0 113.994 -172.927 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 73.0 m-85 -90.03 -9.2 49.45 Favored 'General case' 0 CA--C 1.543 0.708 0 C-N-CA 125.594 1.558 . . . . 0.0 113.577 177.948 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 36.3 t -69.2 -31.73 70.53 Favored 'General case' 0 N--CA 1.473 0.696 0 N-CA-C 113.368 0.877 . . . . 0.0 113.368 -176.2 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--O 1.252 1.21 0 C-N-CA 125.873 1.669 . . . . 0.0 113.135 178.736 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 1' ' ' PHE . . . . . . . . . . . . . 49.8 t80 . . . . . 0 N--CA 1.487 1.405 0 N-CA-C 110.657 -0.127 . . . . 0.0 110.657 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' B' B ' 2' ' ' VAL . . . . . . . . . . . . . 11.1 p -144.45 134.56 19.95 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.837 0 C-N-CA 124.88 1.272 . . . . 0.0 108.914 164.764 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 3' ' ' ASN . . . . . . . . . . . . . 9.5 m120 -63.32 111.71 2.39 Favored 'General case' 0 CA--C 1.54 0.576 0 C-N-CA 123.414 0.686 . . . . 0.0 109.554 175.548 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 4' ' ' GLN . . . . . . . . . . . . . 25.1 pt20 -155.4 179.98 8.65 Favored 'General case' 0 CA--C 1.535 0.381 0 C-N-CA 124.952 1.301 . . . . 0.0 110.961 -170.98 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 5' ' ' HIS . . . . . . . . . . . . . 76.7 m-70 -85.79 132.94 34.02 Favored 'General case' 0 CA--C 1.542 0.661 0 C-N-CA 124.119 0.968 . . . . 0.0 110.29 171.632 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 96.0 mt -133.03 129.57 38.27 Favored 'General case' 0 N--CA 1.469 0.496 0 C-N-CA 124.519 1.128 . . . . 0.0 110.635 -174.649 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 7' ' ' CYS . . . . . . . . . . . . . 2.8 t -154.32 146.22 23.5 Favored 'General case' 0 N--CA 1.468 0.442 0 C-N-CA 123.408 0.683 . . . . 0.0 111.606 -179.297 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 8' ' ' GLY . . . . . . . . . . . . . . . 58.62 -126.79 43.55 Favored Glycine 0 CA--C 1.529 0.966 0 C-N-CA 123.913 0.768 . . . . 0.0 112.159 -179.388 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 9' ' ' SER . . . . . . . . . . . . . 20.2 m -53.54 -40.04 65.17 Favored 'General case' 0 N--CA 1.469 0.507 0 C-N-CA 124.538 1.135 . . . . 0.0 112.675 178.005 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 10' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -62.79 -38.0 88.92 Favored 'General case' 0 N--CA 1.472 0.643 0 O-C-N 121.157 -0.964 . . . . 0.0 112.499 177.829 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 16.4 tp -71.93 -44.18 64.06 Favored 'General case' 0 CA--C 1.535 0.384 0 C-N-CA 124.282 1.033 . . . . 0.0 110.883 177.99 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 74.8 t -59.6 -43.68 91.6 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.028 0 C-N-CA 123.973 0.909 . . . . 0.0 111.148 173.567 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 24.5 mt-10 -59.58 -46.57 88.54 Favored 'General case' 0 N--CA 1.465 0.313 0 C-N-CA 124.151 0.981 . . . . 0.0 112.029 173.817 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -61.38 -48.75 79.85 Favored 'General case' 0 CA--C 1.531 0.249 0 CA-C-N 119.298 0.954 . . . . 0.0 111.684 177.47 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 3.8 mm? -55.77 -38.26 69.63 Favored 'General case' 0 N--CA 1.469 0.506 0 CA-C-N 118.906 0.775 . . . . 0.0 111.963 176.509 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 16' ' ' TYR . . . . . . . . . . . . . 88.1 t80 -61.18 -43.51 98.76 Favored 'General case' 0 CA--C 1.537 0.472 0 CA-C-N 119.486 1.039 . . . . 0.0 112.439 171.561 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 95.8 mt -69.42 -47.72 63.22 Favored 'General case' 0 CA--C 1.536 0.409 0 O-C-N 121.63 -0.669 . . . . 0.0 112.685 -178.739 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 18' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -78.79 -35.41 18.18 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.28 0 CA-C-N 118.722 0.692 . . . . 0.0 112.754 -177.279 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 19' ' ' CYS . . . . . . . . . . . . . 22.1 t -115.42 -45.58 2.91 Favored 'General case' 0 CA--C 1.538 0.506 0 N-CA-C 113.326 0.862 . . . . 0.0 113.326 -172.909 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.474 1.175 0 O-C-N 121.412 -0.805 . . . . 0.0 113.649 -170.951 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 8.2 tp . . . . . 0 N--CA 1.482 1.137 0 N-CA-C 114.039 1.126 . . . . 0.0 114.039 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 90.2 t -62.16 -45.75 98.03 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.194 0 O-C-N 121.371 -0.83 . . . . 0.0 110.696 -175.064 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 15.9 pt-20 -71.69 3.5 4.0 Favored 'General case' 0 CA--C 1.545 0.787 0 N-CA-C 113.886 1.069 . . . . 0.0 113.886 177.725 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 22.2 mm-40 -120.01 -25.15 5.86 Favored 'General case' 0 CA--C 1.541 0.614 0 C-N-CA 124.263 1.025 . . . . 0.0 113.531 174.914 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 53.1 m -107.26 -29.38 9.35 Favored 'General case' 0 N--CA 1.478 0.973 0 N-CA-C 115.49 1.663 . . . . 0.0 115.49 176.387 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 48.8 t -81.67 -37.81 26.87 Favored 'General case' 0 N--CA 1.479 0.983 0 N-CA-C 113.928 1.084 . . . . 0.0 113.928 -177.865 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 9.6 t -80.09 -29.35 39.06 Favored 'General case' 0 N--CA 1.48 1.031 0 C-N-CA 124.897 1.279 . . . . 0.0 113.071 -178.348 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 94.0 p -160.35 167.43 27.42 Favored 'General case' 0 CA--C 1.536 0.436 0 C-N-CA 126.171 1.788 . . . . 0.0 110.752 -175.652 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 14.0 mt -72.81 129.14 36.02 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.515 0 O-C-N 121.568 -0.707 . . . . 0.0 111.952 -170.666 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 30.8 p -108.86 168.31 9.45 Favored 'General case' 0 CA--C 1.54 0.588 0 C-N-CA 125.302 1.441 . . . . 0.0 112.115 173.246 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 59.0 m -122.4 149.06 44.33 Favored 'General case' 0 N--CA 1.467 0.406 0 C-N-CA 124.189 0.995 . . . . 0.0 111.581 -177.25 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . 0.467 ' H ' HD23 ' A' ' 13' ' ' LEU . 2.0 pt? -55.88 -41.32 74.25 Favored 'General case' 0 N--CA 1.464 0.23 0 C-N-CA 124.067 0.947 . . . . 0.0 111.833 -173.14 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 14.9 p90 -67.12 -13.14 61.66 Favored 'General case' 0 CA--C 1.535 0.393 0 C-N-CA 125.139 1.376 . . . . 0.0 114.399 -175.075 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 14.6 pt20 -117.59 -28.59 6.0 Favored 'General case' 0 CA--C 1.532 0.276 0 C-N-CA 123.72 0.808 . . . . 0.0 111.181 178.778 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -70.61 -30.78 67.54 Favored 'General case' 0 CA--C 1.548 0.881 0 CA-C-N 119.302 0.955 . . . . 0.0 111.779 176.478 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 26.2 mt-10 -48.51 -39.52 23.53 Favored 'General case' 0 N--CA 1.481 1.095 0 C-N-CA 124.785 1.234 . . . . 0.0 111.649 169.924 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 1.7 t-20 -59.31 -28.32 66.68 Favored 'General case' 0 CA--C 1.542 0.644 0 C-N-CA 124.741 1.216 . . . . 0.0 113.441 -172.68 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 76.0 m-85 -80.16 -9.58 59.72 Favored 'General case' 0 CA--C 1.543 0.683 0 C-N-CA 125.495 1.518 . . . . 0.0 113.352 -179.15 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 12.6 t -71.47 -25.59 62.35 Favored 'General case' 0 CA--C 1.542 0.662 0 C-N-CA 123.76 0.824 . . . . 0.0 113.18 176.043 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 C--O 1.254 1.3 0 C-N-CA 125.801 1.64 . . . . 0.0 111.914 178.678 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 1' ' ' PHE . . . . . . . . . . . . . 68.9 t80 . . . . . 0 N--CA 1.487 1.39 0 CA-C-O 119.807 -0.14 . . . . 0.0 110.723 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' B' B ' 2' ' ' VAL . . . . . . . . . . . . . 90.9 t -132.12 122.44 48.68 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.93 0 C-N-CA 124.976 1.31 . . . . 0.0 108.348 170.192 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 3' ' ' ASN . . . . . . . . . . . . . 10.3 m120 -64.62 115.83 5.6 Favored 'General case' 0 CA--C 1.539 0.534 0 C-N-CA 123.665 0.786 . . . . 0.0 109.983 172.206 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 4' ' ' GLN . . . . . . . . . . . . . 13.4 pt20 -160.06 -179.97 8.23 Favored 'General case' 0 CA--C 1.536 0.429 0 C-N-CA 125.277 1.431 . . . . 0.0 110.439 -171.119 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 5' ' ' HIS . . . . . . . . . . . . . 75.6 m-70 -84.29 124.97 31.81 Favored 'General case' 0 CA--C 1.542 0.641 0 C-N-CA 123.696 0.798 . . . . 0.0 109.944 171.256 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 96.5 mt -126.22 129.56 49.2 Favored 'General case' 0 N--CA 1.468 0.464 0 C-N-CA 124.606 1.162 . . . . 0.0 110.538 -175.217 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 7' ' ' CYS . . . . . . . . . . . . . 1.3 t -152.75 146.25 24.95 Favored 'General case' 0 N--CA 1.468 0.428 0 C-N-CA 123.595 0.758 . . . . 0.0 111.324 -177.576 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 8' ' ' GLY . . . . . . . . . . . . . . . 57.01 -125.94 40.48 Favored Glycine 0 CA--C 1.529 0.944 0 C-N-CA 123.944 0.783 . . . . 0.0 112.705 179.143 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 9' ' ' SER . . . . . . . . . . . . . 8.7 t -55.4 -39.3 70.02 Favored 'General case' 0 N--CA 1.472 0.659 0 C-N-CA 123.88 0.872 . . . . 0.0 112.53 178.761 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 10' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -62.52 -37.26 85.37 Favored 'General case' 0 N--CA 1.474 0.768 0 O-C-N 120.758 -1.214 . . . . 0.0 112.503 177.096 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 17.7 tp -72.44 -43.43 63.8 Favored 'General case' 0 CA--C 1.535 0.399 0 C-N-CA 124.341 1.056 . . . . 0.0 110.96 177.837 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 76.4 t -59.65 -43.25 90.82 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.979 0 C-N-CA 123.931 0.892 . . . . 0.0 111.18 172.947 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 24.0 mt-10 -58.99 -46.77 87.34 Favored 'General case' 0 N--CA 1.466 0.347 0 C-N-CA 123.827 0.851 . . . . 0.0 112.085 173.373 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -60.62 -49.44 77.53 Favored 'General case' 0 CA--C 1.532 0.255 0 CA-C-N 119.327 0.967 . . . . 0.0 111.635 177.349 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 3.9 mm? -54.33 -38.97 66.61 Favored 'General case' 0 N--CA 1.471 0.602 0 CA-C-N 118.764 0.711 . . . . 0.0 111.857 176.553 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 16' ' ' TYR . . . . . . . . . . . . . 74.8 t80 -61.88 -43.33 99.06 Favored 'General case' 0 CA--C 1.538 0.487 0 CA-C-N 119.101 0.864 . . . . 0.0 112.548 172.175 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 95.3 mt -69.81 -45.65 67.44 Favored 'General case' 0 CA--C 1.536 0.411 0 O-C-N 121.238 -0.914 . . . . 0.0 112.944 -178.896 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 18' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -78.62 -35.98 19.28 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.333 0 CA-C-N 118.717 0.69 . . . . 0.0 112.463 -178.023 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 19' ' ' CYS . . . . . . . . . . . . . 31.4 t -114.45 -49.9 2.81 Favored 'General case' 0 CA--C 1.536 0.412 0 N-CA-C 113.801 1.037 . . . . 0.0 113.801 -175.038 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.476 1.339 0 N-CA-C 115.11 0.804 . . . . 0.0 115.11 -163.442 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 7.4 tp . . . . . 0 N--CA 1.483 1.187 0 N-CA-C 114.305 1.224 . . . . 0.0 114.305 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 92.2 t -66.73 -44.2 89.58 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.14 0 O-C-N 120.986 -1.071 . . . . 0.0 110.725 -179.67 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 17.6 pt-20 -74.23 -4.55 36.68 Favored 'General case' 0 CA--C 1.547 0.856 0 N-CA-C 113.508 0.929 . . . . 0.0 113.508 174.102 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 11.2 tp60 -92.24 -44.04 8.97 Favored 'General case' 0 CA--C 1.54 0.577 0 C-N-CA 124.15 0.98 . . . . 0.0 111.581 170.467 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 98.4 m -114.37 -23.68 9.26 Favored 'General case' 0 N--CA 1.477 0.906 0 N-CA-C 116.61 2.078 . . . . 0.0 116.61 -168.845 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 42.2 t -85.74 -40.74 15.77 Favored 'General case' 0 N--CA 1.48 1.029 0 CA-C-N 119.603 1.092 . . . . 0.0 113.886 -178.464 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 6.9 t -75.99 -29.85 58.34 Favored 'General case' 0 N--CA 1.479 0.979 0 C-N-CA 124.766 1.226 . . . . 0.0 112.965 -179.481 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 83.7 p -159.24 168.13 27.25 Favored 'General case' 0 CA--C 1.535 0.393 0 C-N-CA 126.005 1.722 . . . . 0.0 110.789 -179.068 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 15.6 mt -73.55 127.19 35.29 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.51 0 O-C-N 121.613 -0.68 . . . . 0.0 111.687 -171.606 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 30.1 p -103.61 154.4 19.55 Favored 'General case' 0 CA--C 1.537 0.454 0 C-N-CA 124.836 1.255 . . . . 0.0 111.902 171.339 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 69.1 m -94.1 153.25 18.23 Favored 'General case' 0 N--CA 1.47 0.548 0 CA-C-O 121.612 0.72 . . . . 0.0 112.161 170.988 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . 0.584 ' H ' HD23 ' A' ' 13' ' ' LEU . 1.7 pt? -58.67 -40.92 84.89 Favored 'General case' 0 N--CA 1.465 0.291 0 O-C-N 121.405 -0.809 . . . . 0.0 112.116 -177.296 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 22.8 p90 -68.17 -14.69 63.17 Favored 'General case' 0 CA--C 1.536 0.42 0 N-CA-C 114.235 1.198 . . . . 0.0 114.235 -173.974 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 3.5 pt20 -109.86 -29.43 8.29 Favored 'General case' 0 C--O 1.223 -0.335 0 C-N-CA 124.034 0.933 . . . . 0.0 110.676 177.6 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . 0.511 HD11 HG21 ' B' ' 18' ' ' VAL . 0.3 OUTLIER -70.27 -28.74 65.46 Favored 'General case' 0 CA--C 1.548 0.895 0 CA-C-N 119.802 1.183 . . . . 0.0 111.891 175.547 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 28.8 mt-10 -49.41 -36.48 22.26 Favored 'General case' 0 N--CA 1.48 1.026 0 C-N-CA 124.655 1.182 . . . . 0.0 112.066 170.411 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 5.6 m120 -60.06 -25.88 65.71 Favored 'General case' 0 CA--C 1.542 0.661 0 C-N-CA 124.981 1.313 . . . . 0.0 112.811 -173.433 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 84.1 m-85 -86.81 -6.42 58.82 Favored 'General case' 0 CA--C 1.542 0.649 0 C-N-CA 125.983 1.713 . . . . 0.0 113.55 -176.597 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 17.2 t -70.25 -25.84 63.56 Favored 'General case' 0 CA--C 1.545 0.778 0 C-N-CA 123.719 0.808 . . . . 0.0 113.021 173.647 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 C--O 1.252 1.227 0 C-N-CA 126.1 1.76 . . . . 0.0 111.823 177.107 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 1' ' ' PHE . . . . . . . . . . . . . 47.9 t80 . . . . . 0 N--CA 1.487 1.415 0 CA-C-O 119.562 -0.256 . . . . 0.0 110.649 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' B' B ' 2' ' ' VAL . . . . . . . . . . . . . 89.3 t -132.15 118.41 36.58 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.986 0 C-N-CA 124.794 1.238 . . . . 0.0 109.128 173.654 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 3' ' ' ASN . . . . . . . . . . . . . 72.4 m-20 -64.28 123.78 20.02 Favored 'General case' 0 CA--C 1.538 0.511 0 CA-C-O 121.158 0.504 . . . . 0.0 110.201 167.491 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 4' ' ' GLN . . . . . . . . . . . . . 11.5 pt20 -161.98 -176.43 5.19 Favored 'General case' 0 CA--C 1.536 0.423 0 C-N-CA 125.56 1.544 . . . . 0.0 109.815 -171.951 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 5' ' ' HIS . . . . . . . . . . . . . 82.4 m-70 -84.89 122.64 29.47 Favored 'General case' 0 CA--C 1.541 0.633 0 C-N-CA 123.552 0.741 . . . . 0.0 110.168 171.515 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 97.2 mt -127.57 128.81 46.24 Favored 'General case' 0 N--CA 1.468 0.468 0 C-N-CA 124.699 1.2 . . . . 0.0 110.861 -172.923 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 7' ' ' CYS . . . . . . . . . . . . . 0.4 OUTLIER -151.19 149.13 29.08 Favored 'General case' 0 N--CA 1.468 0.453 0 C-N-CA 124.117 0.967 . . . . 0.0 111.236 -178.291 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 8' ' ' GLY . . . . . . . . . . . . . . . 58.16 -127.56 45.41 Favored Glycine 0 N--CA 1.472 1.073 0 C-N-CA 123.879 0.752 . . . . 0.0 112.693 178.694 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 9' ' ' SER . . . . . . . . . . . . . 9.0 t -53.7 -42.83 68.44 Favored 'General case' 0 N--CA 1.473 0.715 0 C-N-CA 123.544 0.738 . . . . 0.0 111.941 176.767 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 10' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -59.9 -35.95 75.94 Favored 'General case' 0 N--CA 1.473 0.679 0 O-C-N 121.157 -0.964 . . . . 0.0 112.655 179.355 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 18.1 tp -73.95 -45.0 53.04 Favored 'General case' 0 CA--C 1.536 0.421 0 C-N-CA 124.177 0.991 . . . . 0.0 111.203 178.41 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 92.9 t -60.78 -41.54 88.89 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.114 0 C-N-CA 123.857 0.863 . . . . 0.0 111.198 173.601 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 21.3 mt-10 -59.45 -47.97 83.45 Favored 'General case' 0 N--CA 1.464 0.244 0 C-N-CA 125.013 1.325 . . . . 0.0 111.787 173.235 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -60.66 -47.82 84.53 Favored 'General case' 0 CA--C 1.531 0.24 0 CA-C-N 119.383 0.992 . . . . 0.0 111.695 176.799 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 3.8 mm? -54.52 -39.28 67.46 Favored 'General case' 0 N--CA 1.469 0.489 0 CA-C-N 118.729 0.695 . . . . 0.0 111.779 176.161 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 16' ' ' TYR . . . . . . . . . . . . . 75.8 t80 -62.39 -44.12 97.21 Favored 'General case' 0 CA--C 1.539 0.552 0 CA-C-N 119.049 0.841 . . . . 0.0 112.444 171.779 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 95.9 mt -68.69 -37.52 79.62 Favored 'General case' 0 CA--C 1.538 0.497 0 N-CA-C 113.365 0.876 . . . . 0.0 113.365 -178.844 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 18' ' ' VAL . . . . . 0.511 HG21 HD11 ' A' ' 16' ' ' LEU . 0.0 OUTLIER -83.32 -40.0 15.76 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.338 0 CA-C-N 118.972 0.805 . . . . 0.0 112.436 178.95 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' B' B ' 19' ' ' CYS . . . . . . . . . . . . . 19.5 t -106.76 -47.31 3.76 Favored 'General case' 0 CA--C 1.54 0.589 0 N-CA-C 114.031 1.123 . . . . 0.0 114.031 -172.381 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.474 1.202 0 C-N-CA 124.43 1.014 . . . . 0.0 113.482 -166.567 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 7.6 tp . . . . . 0 N--CA 1.48 1.073 0 N-CA-C 114.466 1.284 . . . . 0.0 114.466 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 74.3 t -64.86 -49.67 78.84 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.155 0 CA-C-N 119.869 1.213 . . . . 0.0 110.441 -175.133 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 12.4 pm0 -70.05 2.18 3.86 Favored 'General case' 0 CA--C 1.546 0.802 0 C-N-CA 124.552 1.141 . . . . 0.0 113.771 175.995 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 12.4 tp60 -101.51 -61.84 1.33 Allowed 'General case' 0 CA--C 1.538 0.494 0 C-N-CA 124.029 0.932 . . . . 0.0 110.606 163.183 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 1.8 t -89.38 -22.04 22.78 Favored 'General case' 0 CA--C 1.542 0.651 0 N-CA-C 114.995 1.48 . . . . 0.0 114.995 -164.854 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 26.4 t -75.04 -26.71 59.65 Favored 'General case' 0 N--CA 1.476 0.862 0 O-C-N 121.149 -0.969 . . . . 0.0 113.328 172.942 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 7.5 t -96.12 -33.74 11.96 Favored 'General case' 0 N--CA 1.476 0.863 0 C-N-CA 124.953 1.301 . . . . 0.0 113.045 -178.451 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 91.8 p -151.04 170.74 18.64 Favored 'General case' 0 N--CA 1.47 0.531 0 C-N-CA 125.095 1.358 . . . . 0.0 111.46 -179.255 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 15.9 mt -72.84 127.0 34.49 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.68 0 O-C-N 120.399 -1.438 . . . . 0.0 111.807 -171.097 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 15.4 p -105.54 148.99 26.65 Favored 'General case' 0 CA--C 1.538 0.483 0 C-N-CA 123.839 0.855 . . . . 0.0 112.039 166.218 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 50.8 m -103.43 155.96 18.11 Favored 'General case' 0 N--CA 1.471 0.583 0 C-N-CA 124.486 1.114 . . . . 0.0 112.144 175.583 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . 0.538 ' H ' HD23 ' A' ' 13' ' ' LEU . 1.5 pt? -58.7 -40.03 82.45 Favored 'General case' 0 CA--C 1.531 0.239 0 O-C-N 121.224 -0.923 . . . . 0.0 112.352 -172.827 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 21.6 p90 -68.38 -13.92 62.63 Favored 'General case' 0 CA--C 1.536 0.418 0 C-N-CA 125.133 1.373 . . . . 0.0 114.188 -174.13 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 3.9 pt20 -116.53 -24.74 7.69 Favored 'General case' 0 CA--C 1.535 0.389 0 C-N-CA 124.638 1.175 . . . . 0.0 111.313 179.67 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . 0.421 HD11 HG21 ' B' ' 18' ' ' VAL . 0.3 OUTLIER -75.09 -28.75 60.42 Favored 'General case' 0 CA--C 1.545 0.753 0 CA-C-N 119.344 0.975 . . . . 0.0 112.151 176.931 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 35.7 mt-10 -53.27 -34.97 59.44 Favored 'General case' 0 N--CA 1.481 1.092 0 C-N-CA 123.843 0.857 . . . . 0.0 111.678 170.939 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 1.7 t-20 -57.03 -27.99 62.11 Favored 'General case' 0 CA--C 1.544 0.713 0 C-N-CA 124.533 1.133 . . . . 0.0 113.233 -177.501 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 87.8 m-85 -82.82 -11.68 58.05 Favored 'General case' 0 CA--C 1.542 0.662 0 C-N-CA 125.655 1.582 . . . . 0.0 113.665 179.186 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 11.4 t -74.01 -24.6 59.6 Favored 'General case' 0 CA--C 1.544 0.749 0 C-N-CA 123.87 0.868 . . . . 0.0 112.912 177.042 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 C--O 1.253 1.285 0 C-N-CA 126.19 1.796 . . . . 0.0 111.989 177.538 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 1' ' ' PHE . . . . . . . . . . . . . 48.1 t80 . . . . . 0 N--CA 1.487 1.411 0 CA-C-O 119.387 -0.34 . . . . 0.0 110.439 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' B' B ' 2' ' ' VAL . . . . . . . . . . . . . 3.5 m -129.83 118.84 45.89 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.032 0 C-N-CA 124.802 1.241 . . . . 0.0 110.664 173.847 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 3' ' ' ASN . . . . . . . . . . . . . 85.2 m-20 -79.83 111.3 16.02 Favored 'General case' 0 CA--C 1.536 0.429 0 N-CA-C 109.048 -0.723 . . . . 0.0 109.048 171.874 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 4' ' ' GLN . . . . . . . . . . . . . 9.3 pt20 -161.74 -177.98 6.22 Favored 'General case' 0 CA--C 1.534 0.332 0 C-N-CA 125.354 1.461 . . . . 0.0 110.847 -175.173 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 5' ' ' HIS . . . . . . . . . . . . . 65.7 m-70 -72.76 135.37 45.29 Favored 'General case' 0 CA--C 1.541 0.606 0 C-N-CA 124.042 0.937 . . . . 0.0 109.569 168.487 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 92.3 mt -140.73 135.2 31.31 Favored 'General case' 0 N--CA 1.468 0.43 0 C-N-CA 124.794 1.238 . . . . 0.0 109.828 -175.981 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 7' ' ' CYS . . . . . . . . . . . . . 2.0 t -155.75 146.16 21.82 Favored 'General case' 0 N--CA 1.468 0.473 0 C-N-CA 123.233 0.613 . . . . 0.0 111.657 -177.619 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 8' ' ' GLY . . . . . . . . . . . . . . . 58.32 -127.28 44.76 Favored Glycine 0 CA--C 1.529 0.936 0 C-N-CA 123.815 0.721 . . . . 0.0 112.053 -178.656 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 9' ' ' SER . . . . . . . . . . . . . 20.1 m -53.18 -40.05 64.09 Favored 'General case' 0 N--CA 1.47 0.533 0 C-N-CA 124.621 1.168 . . . . 0.0 112.704 178.307 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 10' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -63.08 -36.93 85.22 Favored 'General case' 0 CA--C 1.542 0.656 0 O-C-N 121.203 -0.936 . . . . 0.0 112.6 178.442 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 15.1 tp -74.16 -43.33 57.79 Favored 'General case' 0 CA--C 1.536 0.415 0 C-N-CA 124.395 1.078 . . . . 0.0 110.923 177.856 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 71.2 t -59.53 -43.51 90.98 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.082 0 C-N-CA 123.971 0.908 . . . . 0.0 111.163 173.195 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 25.3 mt-10 -59.15 -46.93 87.09 Favored 'General case' 0 N--CA 1.466 0.363 0 C-N-CA 124.208 1.003 . . . . 0.0 111.947 173.37 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -60.68 -48.22 82.77 Favored 'General case' 0 CA--C 1.534 0.354 0 CA-C-N 119.169 0.895 . . . . 0.0 111.992 177.344 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 3.9 mm? -56.58 -38.13 71.54 Favored 'General case' 0 N--CA 1.469 0.518 0 CA-C-N 118.692 0.678 . . . . 0.0 111.893 176.241 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 16' ' ' TYR . . . . . . . . . . . . . 83.8 t80 -61.33 -46.76 88.91 Favored 'General case' 0 CA--C 1.536 0.41 0 CA-C-N 119.179 0.899 . . . . 0.0 112.08 171.034 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 96.8 mt -62.34 -49.18 76.62 Favored 'General case' 0 CA--C 1.537 0.447 0 CA-C-N 118.675 0.671 . . . . 0.0 112.273 -179.605 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 18' ' ' VAL . . . . . 0.421 HG21 HD11 ' A' ' 16' ' ' LEU . 0.0 OUTLIER -77.68 -41.24 28.55 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.185 0 CA-C-N 118.521 0.601 . . . . 0.0 112.525 -176.097 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' B' B ' 19' ' ' CYS . . . . . . . . . . . . . 18.0 t -110.77 -39.2 4.92 Favored 'General case' 0 CA--C 1.541 0.609 0 N-CA-C 114.101 1.149 . . . . 0.0 114.101 -169.723 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.476 1.304 0 C-N-CA 123.89 0.757 . . . . 0.0 114.03 -170.014 . . . . . . . . 0 0 . 1 . 021 nuclear nobuild core ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 6.8 tp . . . . . 0 N--CA 1.485 1.324 0 N-CA-C 114.121 1.156 . . . . 0.0 114.121 . . . . . . . . . 0 0 . 1 . 021 nuclear nobuild core ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 93.5 t -58.71 -36.22 59.37 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.977 0 C-N-CA 123.96 0.904 . . . . 0.0 111.07 176.287 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 37.9 mt-10 -77.93 0.58 23.65 Favored 'General case' 0 CA--C 1.543 0.706 0 C-N-CA 124.455 1.102 . . . . 0.0 112.947 179.255 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 18.3 tp60 -111.02 -50.11 2.97 Favored 'General case' 0 CA--C 1.536 0.426 0 C-N-CA 124.497 1.119 . . . . 0.0 111.147 169.475 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 1.6 t -100.18 -21.88 15.37 Favored 'General case' 0 N--CA 1.471 0.595 0 N-CA-C 115.307 1.595 . . . . 0.0 115.307 -167.549 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 18.6 t -79.65 -29.86 41.09 Favored 'General case' 0 N--CA 1.477 0.908 0 O-C-N 120.954 -1.091 . . . . 0.0 112.735 169.891 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 5.8 t -82.41 -33.19 28.75 Favored 'General case' 0 N--CA 1.475 0.79 0 C-N-CA 124.745 1.218 . . . . 0.0 112.823 176.912 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 9' ' ' SER . . . . . 0.404 ' HA ' ' CE1' ' B' ' 5' ' ' HIS . 4.9 t -153.17 -171.71 4.01 Favored 'General case' 0 CA--C 1.543 0.709 0 C-N-CA 124.364 1.066 . . . . 0.0 112.651 -174.94 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 31.4 mm -63.39 138.63 22.63 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.572 0 O-C-N 120.87 -1.144 . . . . 0.0 110.528 173.464 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 14.5 p -126.83 150.69 49.06 Favored 'General case' 0 N--CA 1.469 0.515 0 CA-C-O 121.984 0.897 . . . . 0.0 112.796 155.976 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 20.1 m -107.74 152.97 23.64 Favored 'General case' 0 N--CA 1.469 0.504 0 C-N-CA 125.222 1.409 . . . . 0.0 111.576 176.718 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . 0.524 ' H ' HD23 ' A' ' 13' ' ' LEU . 1.8 pt? -57.78 -40.88 80.89 Favored 'General case' 0 N--CA 1.463 0.224 0 O-C-N 121.433 -0.792 . . . . 0.0 111.875 -172.331 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 22.3 p90 -67.42 -13.31 61.91 Favored 'General case' 0 CA--C 1.537 0.459 0 C-N-CA 125.112 1.365 . . . . 0.0 114.569 -174.992 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 3.9 pt20 -117.43 -24.82 7.21 Favored 'General case' 0 CA--C 1.535 0.385 0 C-N-CA 124.357 1.063 . . . . 0.0 111.06 179.734 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . 0.482 HD11 HG21 ' B' ' 18' ' ' VAL . 0.2 OUTLIER -76.05 -28.66 57.73 Favored 'General case' 0 CA--C 1.549 0.931 0 CA-C-N 118.946 0.793 . . . . 0.0 111.459 173.935 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 31.6 mt-10 -50.7 -32.26 18.92 Favored 'General case' 0 N--CA 1.481 1.11 0 C-N-CA 125.044 1.338 . . . . 0.0 112.013 167.072 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 1.2 t-20 -62.82 -23.97 67.53 Favored 'General case' 0 CA--C 1.542 0.657 0 C-N-CA 124.176 0.99 . . . . 0.0 112.967 -176.748 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 79.2 m-85 -84.29 -1.14 54.81 Favored 'General case' 0 CA--C 1.547 0.856 0 C-N-CA 125.907 1.683 . . . . 0.0 113.013 177.614 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 11.7 t -72.2 -23.24 61.23 Favored 'General case' 0 CA--C 1.546 0.81 0 C-N-CA 125.095 1.358 . . . . 0.0 112.923 168.54 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 35.2 m120 . . . . . 0 C--O 1.253 1.259 0 C-N-CA 125.669 1.588 . . . . 0.0 113.535 178.395 . . . . . . . . 0 0 . 1 . 021 nuclear nobuild core ' B' B ' 1' ' ' PHE . . . . . . . . . . . . . 41.4 t80 . . . . . 0 N--CA 1.487 1.386 0 CA-C-O 119.734 -0.174 . . . . 0.0 110.639 . . . . . . . . . 0 0 . 1 . 021 nuclear nobuild core ' B' B ' 2' ' ' VAL . . . . . . . . . . . . . 84.3 t -130.31 123.38 55.53 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.997 0 C-N-CA 124.843 1.257 . . . . 0.0 108.456 171.127 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' B' B ' 3' ' ' ASN . . . . . . . . . . . . . 60.3 m-20 -68.14 118.21 10.98 Favored 'General case' 0 CA--C 1.536 0.408 0 C-N-CA 123.639 0.775 . . . . 0.0 109.506 177.038 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' B' B ' 4' ' ' GLN . . . . . . . . . . . . . 11.7 pt20 -159.17 179.5 8.96 Favored 'General case' 0 CA--C 1.535 0.39 0 CA-C-O 121.243 0.544 . . . . 0.0 112.104 -165.848 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' B' B ' 5' ' ' HIS . . . . . 0.404 ' CE1' ' HA ' ' A' ' 9' ' ' SER . 68.4 m-70 -81.52 128.58 34.05 Favored 'General case' 0 CA--C 1.547 0.835 0 C-N-CA 124.459 1.104 . . . . 0.0 110.109 168.574 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 89.9 mt -135.21 137.93 43.12 Favored 'General case' 0 N--CA 1.471 0.615 0 C-N-CA 125.063 1.345 . . . . 0.0 110.701 -176.841 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' B' B ' 7' ' ' CYS . . . . . . . . . . . . . 2.5 t -155.68 148.05 23.76 Favored 'General case' 0 N--CA 1.469 0.51 0 O-C-N 121.558 -0.714 . . . . 0.0 111.834 179.142 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' B' B ' 8' ' ' GLY . . . . . . . . . . . . . . . 60.22 -129.59 47.84 Favored Glycine 0 CA--C 1.529 0.909 0 C-N-CA 123.859 0.742 . . . . 0.0 112.133 -179.181 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' B' B ' 9' ' ' SER . . . . . . . . . . . . . 20.3 m -53.81 -38.14 64.26 Favored 'General case' 0 N--CA 1.47 0.563 0 C-N-CA 124.575 1.15 . . . . 0.0 112.792 179.082 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' B' B ' 10' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -63.24 -38.97 93.24 Favored 'General case' 0 CA--C 1.542 0.638 0 O-C-N 121.24 -0.913 . . . . 0.0 112.568 177.342 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 14.8 tp -72.18 -43.11 65.03 Favored 'General case' 0 CA--C 1.535 0.369 0 C-N-CA 124.276 1.03 . . . . 0.0 110.823 177.332 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 73.4 t -60.43 -42.76 92.26 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.988 0 C-N-CA 123.798 0.839 . . . . 0.0 111.292 174.219 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 16.8 mt-10 -60.46 -43.25 97.07 Favored 'General case' 0 N--CA 1.469 0.501 0 C-N-CA 123.984 0.914 . . . . 0.0 112.455 173.938 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -62.5 -50.85 69.77 Favored 'General case' 0 CA--C 1.536 0.413 0 CA-C-N 118.702 0.683 . . . . 0.0 111.14 174.863 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 4.1 mm? -57.23 -34.79 68.93 Favored 'General case' 0 N--CA 1.47 0.558 0 CA-C-N 119.088 0.858 . . . . 0.0 112.182 176.902 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' B' B ' 16' ' ' TYR . . . . . . . . . . . . . 57.8 t80 -59.46 -40.36 86.62 Favored 'General case' 0 CA--C 1.54 0.567 0 CA-C-N 120.901 1.682 . . . . 0.0 112.532 171.432 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 87.0 mt -77.52 -37.43 50.98 Favored 'General case' 0 CA--C 1.539 0.54 0 N-CA-C 113.471 0.915 . . . . 0.0 113.471 -178.523 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' B' B ' 18' ' ' VAL . . . . . 0.482 HG21 HD11 ' A' ' 16' ' ' LEU . 0.1 OUTLIER -94.13 -27.76 4.34 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.557 0 N-CA-C 114.783 1.401 . . . . 0.0 114.783 -178.84 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild core ' B' B ' 19' ' ' CYS . . . . . . . . . . . . . 52.5 t -114.94 -41.5 3.34 Favored 'General case' 0 N--CA 1.475 0.802 0 C-N-CA 124.442 1.097 . . . . 0.0 112.826 -177.575 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.474 1.2 0 C-N-CA 123.703 0.668 . . . . 0.0 112.739 -174.452 . . . . . . . . 0 0 . 1 . 022 nuclear nobuild core ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 6.3 tp . . . . . 0 N--CA 1.484 1.231 0 N-CA-C 113.98 1.104 . . . . 0.0 113.98 . . . . . . . . . 0 0 . 1 . 022 nuclear nobuild core ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 95.9 t -62.4 -33.5 59.51 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.972 0 C-N-CA 123.665 0.786 . . . . 0.0 111.198 176.961 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 44.0 mt-10 -77.12 -9.2 58.59 Favored 'General case' 0 CA--C 1.543 0.707 0 C-N-CA 124.029 0.932 . . . . 0.0 112.734 177.595 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 8.2 tp-100 -95.59 -47.71 6.11 Favored 'General case' 0 CA--C 1.538 0.481 0 C-N-CA 124.695 1.198 . . . . 0.0 110.527 172.815 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 63.0 m -103.11 -29.51 11.29 Favored 'General case' 0 N--CA 1.47 0.545 0 N-CA-C 116.158 1.91 . . . . 0.0 116.158 -166.947 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 16.6 t -79.42 -26.84 41.78 Favored 'General case' 0 N--CA 1.478 0.972 0 CA-C-N 119.282 0.946 . . . . 0.0 113.153 178.113 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 5.9 t -75.6 -34.77 60.63 Favored 'General case' 0 N--CA 1.476 0.827 0 C-N-CA 125.01 1.324 . . . . 0.0 113.103 -179.623 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 9' ' ' SER . . . . . 0.434 ' HA ' ' CE1' ' B' ' 5' ' ' HIS . 5.0 t -165.26 -172.38 2.49 Favored 'General case' 0 CA--C 1.543 0.684 0 C-N-CA 124.785 1.234 . . . . 0.0 112.072 -170.69 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 33.6 mm -58.29 128.98 19.74 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.623 0 C-N-CA 124.3 1.04 . . . . 0.0 110.531 172.674 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 15.6 p -125.64 150.03 47.93 Favored 'General case' 0 N--CA 1.469 0.494 0 C-N-CA 123.347 0.659 . . . . 0.0 112.096 165.036 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 50.9 m -106.54 153.33 22.48 Favored 'General case' 0 N--CA 1.471 0.587 0 C-N-CA 125.025 1.33 . . . . 0.0 112.449 -179.219 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . 0.533 ' H ' HD23 ' A' ' 13' ' ' LEU . 1.9 pt? -58.12 -40.19 80.6 Favored 'General case' 0 CA--C 1.53 0.2 0 C-N-CA 124.023 0.929 . . . . 0.0 112.106 -175.696 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 18.0 p90 -68.51 -13.33 62.25 Favored 'General case' 0 CA--C 1.536 0.433 0 C-N-CA 124.8 1.24 . . . . 0.0 114.329 -175.35 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 3.4 pt20 -114.62 -22.57 9.69 Favored 'General case' 0 C--O 1.223 -0.295 0 C-N-CA 124.043 0.937 . . . . 0.0 111.555 177.867 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . 0.476 HD11 HG21 ' B' ' 18' ' ' VAL . 0.3 OUTLIER -80.83 -25.77 37.54 Favored 'General case' 0 CA--C 1.548 0.87 0 CA-C-N 119.279 0.945 . . . . 0.0 111.805 175.96 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 20.1 mt-10 -54.05 -27.7 34.01 Favored 'General case' 0 N--CA 1.48 1.031 0 C-N-CA 124.144 0.977 . . . . 0.0 112.352 166.903 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 83.3 m-20 -64.12 -17.01 63.04 Favored 'General case' 0 CA--C 1.541 0.601 0 C-N-CA 123.912 0.885 . . . . 0.0 113.132 -176.202 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 77.7 m-85 -96.68 1.03 50.62 Favored 'General case' 0 CA--C 1.549 0.926 0 C-N-CA 126.87 2.068 . . . . 0.0 112.993 179.05 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 47.7 t -71.2 -30.11 65.99 Favored 'General case' 0 N--CA 1.474 0.725 0 C-N-CA 125.521 1.528 . . . . 0.0 113.473 176.577 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--O 1.253 1.267 0 C-N-CA 125.958 1.703 . . . . 0.0 113.239 179.154 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' B' B ' 1' ' ' PHE . . . . . . . . . . . . . 21.8 t80 . . . . . 0 N--CA 1.487 1.409 0 CA-C-O 119.625 -0.226 . . . . 0.0 110.504 . . . . . . . . . 0 0 . 1 . 022 nuclear nobuild core ' B' B ' 2' ' ' VAL . . . . . . . . . . . . . 17.8 m -134.79 139.23 47.93 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.054 0 C-N-CA 124.55 1.14 . . . . 0.0 109.988 166.189 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' B' B ' 3' ' ' ASN . . . . . . . . . . . . . 5.2 p30 -61.62 129.83 42.99 Favored 'General case' 0 CA--C 1.535 0.375 0 CA-C-O 120.707 0.289 . . . . 0.0 110.236 166.021 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' B' B ' 4' ' ' GLN . . . . . . . . . . . . . 20.4 pt20 -163.11 174.97 11.53 Favored 'General case' 0 CA--C 1.532 0.27 0 CA-C-O 121.531 0.682 . . . . 0.0 111.144 -169.464 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' B' B ' 5' ' ' HIS . . . . . 0.434 ' CE1' ' HA ' ' A' ' 9' ' ' SER . 78.3 m-70 -77.56 127.41 32.45 Favored 'General case' 0 CA--C 1.543 0.69 0 C-N-CA 124.063 0.945 . . . . 0.0 110.046 169.07 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 89.8 mt -135.19 129.3 33.53 Favored 'General case' 0 N--CA 1.471 0.597 0 C-N-CA 124.181 0.992 . . . . 0.0 111.037 -176.766 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' B' B ' 7' ' ' CYS . . . . . . . . . . . . . 2.1 t -155.23 146.38 22.7 Favored 'General case' 0 N--CA 1.469 0.481 0 C-N-CA 123.472 0.709 . . . . 0.0 111.313 178.811 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' B' B ' 8' ' ' GLY . . . . . . . . . . . . . . . 60.52 -128.08 44.77 Favored Glycine 0 CA--C 1.53 0.998 0 C-N-CA 123.783 0.706 . . . . 0.0 112.423 -178.753 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' B' B ' 9' ' ' SER . . . . . . . . . . . . . 8.6 t -55.5 -38.83 69.69 Favored 'General case' 0 N--CA 1.472 0.663 0 C-N-CA 123.9 0.88 . . . . 0.0 112.55 179.548 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' B' B ' 10' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -61.6 -39.77 92.42 Favored 'General case' 0 N--CA 1.473 0.702 0 O-C-N 120.959 -1.088 . . . . 0.0 112.461 176.411 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 17.8 tp -69.52 -44.73 70.42 Favored 'General case' 0 CA--C 1.533 0.316 0 C-N-CA 124.03 0.932 . . . . 0.0 110.777 177.684 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 82.2 t -59.78 -42.72 89.79 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.002 0 C-N-CA 123.662 0.785 . . . . 0.0 111.213 174.738 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 19.3 mt-10 -60.46 -45.94 91.89 Favored 'General case' 0 N--CA 1.468 0.428 0 C-N-CA 123.689 0.796 . . . . 0.0 112.379 173.747 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -62.62 -47.52 83.39 Favored 'General case' 0 CA--C 1.533 0.294 0 CA-C-N 119.184 0.902 . . . . 0.0 111.527 177.153 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -58.97 -35.17 72.73 Favored 'General case' 0 N--CA 1.466 0.357 0 CA-C-O 118.43 -0.795 . . . . 0.0 111.627 176.668 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' B' B ' 16' ' ' TYR . . . . . . . . . . . . . 87.4 t80 -60.44 -41.65 94.48 Favored 'General case' 0 CA--C 1.538 0.488 0 CA-C-N 121.047 1.749 . . . . 0.0 112.394 170.887 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 94.6 mt -70.44 -47.08 62.41 Favored 'General case' 0 CA--C 1.54 0.583 0 CA-C-O 118.882 -0.58 . . . . 0.0 112.426 -179.7 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' B' B ' 18' ' ' VAL . . . . . 0.476 HG21 HD11 ' A' ' 16' ' ' LEU . 0.0 OUTLIER -84.94 -35.59 10.21 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.509 0 N-CA-C 113.905 1.076 . . . . 0.0 113.905 -176.85 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild core ' B' B ' 19' ' ' CYS . . . . . . . . . . . . . 52.2 t -108.08 -42.5 4.64 Favored 'General case' 0 N--CA 1.471 0.595 0 C-N-CA 124.491 1.116 . . . . 0.0 112.625 -175.182 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.47 0.953 0 C-N-CA 123.894 0.759 . . . . 0.0 112.705 -175.339 . . . . . . . . 0 0 . 1 . 023 nuclear nobuild core ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 7.0 tp . . . . . 0 N--CA 1.484 1.264 0 N-CA-C 113.718 1.007 . . . . 0.0 113.718 . . . . . . . . . 0 0 . 1 . 023 nuclear nobuild core ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 88.3 t -61.59 -33.17 56.05 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.882 0 C-N-CA 124.164 0.985 . . . . 0.0 111.261 179.03 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 43.8 mt-10 -76.79 -7.31 55.17 Favored 'General case' 0 CA--C 1.542 0.664 0 C-N-CA 124.078 0.951 . . . . 0.0 112.916 179.304 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 10.6 tp60 -105.51 -44.77 4.61 Favored 'General case' 0 CA--C 1.538 0.504 0 C-N-CA 124.307 1.043 . . . . 0.0 111.385 172.372 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 60.0 m -93.16 -34.08 13.76 Favored 'General case' 0 N--CA 1.472 0.653 0 N-CA-C 115.632 1.716 . . . . 0.0 115.632 -172.694 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 10.9 t -78.63 -24.47 45.26 Favored 'General case' 0 N--CA 1.477 0.882 0 N-CA-C 113.349 0.87 . . . . 0.0 113.349 -179.706 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 5.5 t -81.39 -33.88 31.99 Favored 'General case' 0 N--CA 1.475 0.817 0 C-N-CA 124.916 1.286 . . . . 0.0 113.29 179.673 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 9' ' ' SER . . . . . 0.423 ' HA ' ' CE1' ' B' ' 5' ' ' HIS . 5.5 t -163.62 -173.13 3.16 Favored 'General case' 0 CA--C 1.543 0.696 0 C-N-CA 124.513 1.125 . . . . 0.0 112.243 -169.823 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 34.3 mm -60.15 126.41 17.9 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.647 0 O-C-N 121.326 -0.858 . . . . 0.0 109.662 171.481 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 23.2 p -116.81 152.35 34.59 Favored 'General case' 0 N--CA 1.467 0.397 0 CA-C-O 121.521 0.677 . . . . 0.0 112.082 166.793 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 15.5 m -106.75 148.23 28.69 Favored 'General case' 0 N--CA 1.467 0.403 0 C-N-CA 123.773 0.829 . . . . 0.0 112.336 -174.286 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . 0.53 ' H ' HD23 ' A' ' 13' ' ' LEU . 1.9 pt? -56.51 -40.47 75.05 Favored 'General case' 0 N--CA 1.466 0.37 0 O-C-N 121.537 -0.727 . . . . 0.0 111.838 -175.732 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 15.5 p90 -67.42 -13.61 62.18 Favored 'General case' 0 CA--C 1.535 0.401 0 N-CA-C 114.709 1.374 . . . . 0.0 114.709 -175.662 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 3.0 pt20 -112.5 -32.22 6.54 Favored 'General case' 0 N--CA 1.464 0.256 0 C-N-CA 123.42 0.688 . . . . 0.0 110.501 177.05 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . 0.406 HD11 HG21 ' B' ' 18' ' ' VAL . 0.2 OUTLIER -71.27 -31.6 67.69 Favored 'General case' 0 CA--C 1.547 0.857 0 CA-C-N 118.987 0.812 . . . . 0.0 111.456 -177.849 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 29.2 mt-10 -50.74 -40.4 54.54 Favored 'General case' 0 N--CA 1.478 0.966 0 C-N-CA 124.961 1.304 . . . . 0.0 111.48 168.95 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 1.7 t-20 -59.71 -28.86 67.69 Favored 'General case' 0 CA--C 1.541 0.618 0 C-N-CA 124.551 1.14 . . . . 0.0 113.429 -171.098 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 88.3 m-85 -79.19 -9.7 59.63 Favored 'General case' 0 CA--C 1.544 0.716 0 C-N-CA 125.211 1.404 . . . . 0.0 113.627 179.425 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 12.9 t -70.21 -24.83 63.18 Favored 'General case' 0 CA--C 1.545 0.775 0 C-N-CA 123.872 0.869 . . . . 0.0 113.087 176.63 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 C--O 1.253 1.278 0 C-N-CA 126.17 1.788 . . . . 0.0 111.927 177.266 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' B' B ' 1' ' ' PHE . . . . . . . . . . . . . 51.0 t80 . . . . . 0 N--CA 1.485 1.312 0 CA-C-O 120.617 0.246 . . . . 0.0 110.792 . . . . . . . . . 0 0 . 1 . 023 nuclear nobuild core ' B' B ' 2' ' ' VAL . . . . . . . . . . . . . 9.7 p -149.17 131.98 6.79 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.768 0 C-N-CA 125.28 1.432 . . . . 0.0 108.673 166.229 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' B' B ' 3' ' ' ASN . . . . . . . . . . . . . 72.1 m-20 -60.76 121.24 11.78 Favored 'General case' 0 CA--C 1.533 0.314 0 N-CA-C 109.66 -0.496 . . . . 0.0 109.66 173.814 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' B' B ' 4' ' ' GLN . . . . . . . . . . . . . 18.3 pt20 -156.24 177.21 11.7 Favored 'General case' 0 CA--C 1.532 0.275 0 CA-C-O 121.675 0.75 . . . . 0.0 111.527 -168.528 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' B' B ' 5' ' ' HIS . . . . . 0.423 ' CE1' ' HA ' ' A' ' 9' ' ' SER . 78.0 m-70 -79.04 125.92 30.03 Favored 'General case' 0 CA--C 1.544 0.738 0 C-N-CA 124.289 1.036 . . . . 0.0 109.981 170.667 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 88.5 mt -136.7 133.41 36.1 Favored 'General case' 0 N--CA 1.472 0.666 0 C-N-CA 124.233 1.013 . . . . 0.0 111.214 -175.481 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' B' B ' 7' ' ' CYS . . . . . . . . . . . . . 2.3 t -157.9 145.83 18.68 Favored 'General case' 0 CA--C 1.535 0.389 0 C-N-CA 123.766 0.826 . . . . 0.0 111.133 179.718 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' B' B ' 8' ' ' GLY . . . . . . . . . . . . . . . 61.38 -125.9 38.62 Favored Glycine 0 N--CA 1.47 0.923 0 C-N-CA 123.779 0.704 . . . . 0.0 112.958 179.813 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' B' B ' 9' ' ' SER . . . . . . . . . . . . . 5.8 p -50.36 -44.31 54.56 Favored 'General case' 0 N--CA 1.471 0.593 0 C-N-CA 125.144 1.378 . . . . 0.0 112.794 175.569 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' B' B ' 10' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -63.74 -35.55 80.94 Favored 'General case' 0 N--CA 1.47 0.551 0 O-C-N 121.366 -0.834 . . . . 0.0 112.606 179.083 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 14.7 tp -71.65 -45.02 63.27 Favored 'General case' 0 CA--C 1.536 0.419 0 C-N-CA 123.989 0.916 . . . . 0.0 110.875 177.976 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 81.5 t -59.97 -43.71 93.0 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.012 0 C-N-CA 123.859 0.864 . . . . 0.0 111.113 173.717 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 24.2 mt-10 -59.64 -45.96 90.43 Favored 'General case' 0 N--CA 1.465 0.306 0 C-N-CA 123.995 0.918 . . . . 0.0 112.225 174.194 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -61.86 -49.6 75.6 Favored 'General case' 0 N--CA 1.454 -0.243 0 CA-C-N 119.149 0.886 . . . . 0.0 111.516 177.97 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 3.8 mm? -54.61 -38.56 66.94 Favored 'General case' 0 N--CA 1.47 0.572 0 CA-C-N 119.008 0.822 . . . . 0.0 111.839 177.229 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' B' B ' 16' ' ' TYR . . . . . . . . . . . . . 71.9 t80 -61.24 -45.63 93.73 Favored 'General case' 0 CA--C 1.537 0.443 0 CA-C-N 118.931 0.787 . . . . 0.0 112.299 171.71 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 95.6 mt -67.43 -47.39 70.34 Favored 'General case' 0 CA--C 1.539 0.521 0 CA-C-N 119.096 0.862 . . . . 0.0 112.847 -179.653 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' B' B ' 18' ' ' VAL . . . . . 0.406 HG21 HD11 ' A' ' 16' ' ' LEU . 0.0 OUTLIER -78.79 -33.25 16.31 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.345 0 CA-C-N 118.735 0.698 . . . . 0.0 112.706 -175.726 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild core ' B' B ' 19' ' ' CYS . . . . . . . . . . . . . 28.9 t -115.47 -45.89 2.9 Favored 'General case' 0 CA--C 1.541 0.6 0 N-CA-C 114.25 1.204 . . . . 0.0 114.25 -174.146 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.477 1.409 0 C-N-CA 123.596 0.617 . . . . 0.0 114.389 -164.724 . . . . . . . . 0 0 . 1 . 024 nuclear nobuild core ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 7.5 tp . . . . . 0 N--CA 1.484 1.229 0 N-CA-C 113.406 0.891 . . . . 0.0 113.406 . . . . . . . . . 0 0 . 1 . 024 nuclear nobuild core ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 76.9 t -61.01 -43.81 96.91 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.175 0 C-N-CA 123.902 0.881 . . . . 0.0 111.094 -173.254 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 23.7 pt-20 -70.93 -5.99 35.04 Favored 'General case' 0 CA--C 1.547 0.864 0 N-CA-C 114.264 1.209 . . . . 0.0 114.264 176.595 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 36.3 tp60 -92.93 -52.69 4.48 Favored 'General case' 0 CA--C 1.54 0.558 0 CA-C-N 120.08 1.309 . . . . 0.0 110.892 165.075 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 65.4 m -90.51 -32.41 16.35 Favored 'General case' 0 N--CA 1.474 0.73 0 N-CA-C 116.144 1.905 . . . . 0.0 116.144 -167.683 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 18.3 t -75.7 -24.82 56.26 Favored 'General case' 0 N--CA 1.477 0.885 0 O-C-N 121.163 -0.961 . . . . 0.0 113.446 -178.088 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 6.5 t -95.19 -31.99 13.25 Favored 'General case' 0 N--CA 1.475 0.796 0 C-N-CA 125.388 1.475 . . . . 0.0 113.467 -177.006 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 59.2 m -146.99 171.43 15.26 Favored 'General case' 0 CA--C 1.543 0.708 0 C-N-CA 125.078 1.351 . . . . 0.0 112.189 -171.835 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 27.5 mm -56.97 125.43 12.91 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.819 0 O-C-N 121.215 -0.928 . . . . 0.0 109.177 167.899 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 18.1 p -117.02 150.42 38.64 Favored 'General case' 0 CA--C 1.534 0.342 0 CA-C-O 121.574 0.702 . . . . 0.0 111.822 168.147 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 13.5 m -107.09 152.48 23.97 Favored 'General case' 0 N--CA 1.469 0.514 0 C-N-CA 123.788 0.835 . . . . 0.0 112.68 -172.31 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . 0.551 ' H ' HD23 ' A' ' 13' ' ' LEU . 1.6 pt? -57.28 -40.01 76.87 Favored 'General case' 0 N--CA 1.467 0.383 0 O-C-N 121.533 -0.729 . . . . 0.0 111.885 -174.305 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 21.1 p90 -69.71 -10.28 57.69 Favored 'General case' 0 CA--C 1.537 0.48 0 C-N-CA 125.054 1.342 . . . . 0.0 114.589 -176.3 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 3.6 pt20 -118.9 -30.94 4.92 Favored 'General case' 0 C--O 1.222 -0.393 0 C-N-CA 123.786 0.834 . . . . 0.0 111.003 -179.784 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . 0.438 HD11 HG21 ' B' ' 18' ' ' VAL . 0.2 OUTLIER -70.68 -33.14 70.6 Favored 'General case' 0 CA--C 1.549 0.92 0 CA-C-N 119.324 0.965 . . . . 0.0 111.145 176.181 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 14.6 mt-10 -47.99 -35.99 11.91 Favored 'General case' 0 N--CA 1.479 0.996 0 C-N-CA 126.147 1.779 . . . . 0.0 112.811 170.141 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 81.0 m-20 -61.63 -18.44 59.46 Favored 'General case' 0 CA--C 1.539 0.547 0 C-N-CA 124.809 1.244 . . . . 0.0 113.519 -173.934 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 88.5 m-85 -99.49 1.93 44.45 Favored 'General case' 0 CA--C 1.546 0.809 0 C-N-CA 126.37 1.868 . . . . 0.0 113.679 -176.188 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 49.0 t -67.1 -33.67 75.98 Favored 'General case' 0 N--CA 1.474 0.729 0 N-CA-C 113.168 0.803 . . . . 0.0 113.168 176.113 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--O 1.253 1.268 0 C-N-CA 125.763 1.625 . . . . 0.0 113.037 176.754 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' B' B ' 1' ' ' PHE . . . . . . . . . . . . . 56.3 t80 . . . . . 0 N--CA 1.486 1.358 0 N-CA-C 110.77 -0.085 . . . . 0.0 110.77 . . . . . . . . . 0 0 . 1 . 024 nuclear nobuild core ' B' B ' 2' ' ' VAL . . . . . . . . . . . . . 11.5 p -143.98 131.96 18.14 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.805 0 C-N-CA 125.001 1.321 . . . . 0.0 109.112 166.938 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' B' B ' 3' ' ' ASN . . . . . . . . . . . . . 72.0 m-20 -61.07 121.77 13.3 Favored 'General case' 0 CA--C 1.533 0.324 0 N-CA-C 109.597 -0.52 . . . . 0.0 109.597 173.531 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' B' B ' 4' ' ' GLN . . . . . . . . . . . . . 21.0 pt20 -157.27 177.93 10.91 Favored 'General case' 0 CA--C 1.532 0.276 0 CA-C-O 121.638 0.732 . . . . 0.0 111.528 -169.177 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' B' B ' 5' ' ' HIS . . . . . . . . . . . . . 75.9 m-70 -81.63 129.53 34.73 Favored 'General case' 0 CA--C 1.544 0.72 0 C-N-CA 124.105 0.962 . . . . 0.0 110.087 169.865 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' B' B ' 6' ' ' LEU . . . . . 0.454 HD13 ' CB ' ' B' ' 14' ' ' ALA . 74.8 mt -139.52 133.12 30.4 Favored 'General case' 0 N--CA 1.471 0.582 0 C-N-CA 124.532 1.133 . . . . 0.0 111.19 -172.76 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' B' B ' 7' ' ' CYS . . . . . . . . . . . . . 1.6 t -156.09 147.48 22.61 Favored 'General case' 0 N--CA 1.468 0.473 0 C-N-CA 123.589 0.756 . . . . 0.0 111.385 179.22 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' B' B ' 8' ' ' GLY . . . . . . . . . . . . . . . 59.9 -128.88 47.32 Favored Glycine 0 N--CA 1.471 1.027 0 C-N-CA 123.919 0.771 . . . . 0.0 112.548 -179.19 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' B' B ' 9' ' ' SER . . . . . . . . . . . . . 20.4 m -55.5 -36.04 66.23 Favored 'General case' 0 N--CA 1.471 0.619 0 C-N-CA 124.558 1.143 . . . . 0.0 113.014 178.946 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' B' B ' 10' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -64.11 -36.92 85.62 Favored 'General case' 0 CA--C 1.541 0.631 0 O-C-N 121.26 -0.9 . . . . 0.0 112.322 175.593 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 15.8 tp -73.17 -42.13 63.1 Favored 'General case' 0 CA--C 1.536 0.418 0 C-N-CA 124.434 1.094 . . . . 0.0 111.256 178.135 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 91.4 t -59.44 -43.11 89.74 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.044 0 C-N-CA 124.021 0.928 . . . . 0.0 111.138 171.636 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 15.7 mm-40 -60.63 -49.6 76.89 Favored 'General case' 0 C--O 1.223 -0.318 0 CA-C-O 118.536 -0.745 . . . . 0.0 111.582 171.69 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' B' B ' 14' ' ' ALA . . . . . 0.544 ' O ' HG22 ' B' ' 18' ' ' VAL . . . -54.54 -49.22 70.79 Favored 'General case' 0 CA--C 1.531 0.238 0 CA-C-N 120.189 1.359 . . . . 0.0 111.905 179.698 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 4.0 mm? -54.65 -38.65 67.15 Favored 'General case' 0 N--CA 1.471 0.608 0 CA-C-N 119.031 0.832 . . . . 0.0 112.201 174.802 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' B' B ' 16' ' ' TYR . . . . . . . . . . . . . 76.2 t80 -64.34 -41.93 96.53 Favored 'General case' 0 CA--C 1.543 0.68 0 O-C-N 121.306 -0.871 . . . . 0.0 112.586 171.218 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 90.9 mt -68.99 -46.48 67.95 Favored 'General case' 0 CA--C 1.537 0.48 0 O-C-N 121.278 -0.889 . . . . 0.0 112.8 -178.965 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' B' B ' 18' ' ' VAL . . . . . 0.544 HG22 ' O ' ' B' ' 14' ' ' ALA . 0.0 OUTLIER -71.2 -48.96 51.69 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.117 0 CA-C-N 118.451 0.569 . . . . 0.0 111.699 177.273 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild core ' B' B ' 19' ' ' CYS . . . . . . . . . . . . . 17.2 t -109.71 -42.64 4.22 Favored 'General case' 0 N--CA 1.47 0.542 0 N-CA-C 113.738 1.014 . . . . 0.0 113.738 -167.957 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.477 1.371 0 CA-C-N 118.778 0.717 . . . . 0.0 113.821 -170.2 . . . . . . . . 0 0 . 1 . 025 nuclear nobuild core ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 8.6 tp . . . . . 0 N--CA 1.483 1.209 0 N-CA-C 114.479 1.288 . . . . 0.0 114.479 . . . . . . . . . 0 0 . 1 . 025 nuclear nobuild core ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 89.5 t -63.31 -40.9 90.78 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.004 0 CA-C-N 119.179 0.9 . . . . 0.0 109.892 -179.839 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 2.6 mp0 -71.69 1.86 6.15 Favored 'General case' 0 CA--C 1.547 0.832 0 C-N-CA 125.351 1.46 . . . . 0.0 113.686 175.587 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 16.6 tp60 -113.05 -51.85 2.81 Favored 'General case' 0 CA--C 1.538 0.511 0 C-N-CA 124.664 1.185 . . . . 0.0 111.49 169.528 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 1.6 t -100.26 -21.91 15.31 Favored 'General case' 0 N--CA 1.472 0.647 0 N-CA-C 115.221 1.563 . . . . 0.0 115.221 -168.188 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 21.5 t -78.19 -29.62 48.54 Favored 'General case' 0 N--CA 1.477 0.878 0 O-C-N 120.854 -1.153 . . . . 0.0 112.687 169.48 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 6.5 t -85.53 -32.12 22.35 Favored 'General case' 0 N--CA 1.476 0.829 0 C-N-CA 124.926 1.29 . . . . 0.0 113.022 177.628 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 5.5 t -150.61 -175.07 4.96 Favored 'General case' 0 CA--C 1.543 0.707 0 C-N-CA 124.154 0.981 . . . . 0.0 112.712 -175.93 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 29.6 mm -66.31 137.0 25.72 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.59 0 O-C-N 120.804 -1.185 . . . . 0.0 110.054 172.764 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 15.4 p -122.79 154.87 37.63 Favored 'General case' 0 N--CA 1.471 0.58 0 CA-C-O 121.875 0.845 . . . . 0.0 112.839 161.513 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 19.2 m -107.36 151.23 25.78 Favored 'General case' 0 N--CA 1.469 0.483 0 C-N-CA 125.054 1.342 . . . . 0.0 111.636 179.258 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . 0.493 ' H ' HD23 ' A' ' 13' ' ' LEU . 1.8 pt? -59.22 -39.0 81.33 Favored 'General case' 0 N--CA 1.465 0.31 0 O-C-N 121.28 -0.887 . . . . 0.0 112.138 -174.037 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 18.3 p90 -69.51 -13.21 62.22 Favored 'General case' 0 CA--C 1.535 0.382 0 C-N-CA 125.067 1.347 . . . . 0.0 114.093 -174.418 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 4.0 pt20 -113.21 -30.83 6.82 Favored 'General case' 0 C--O 1.222 -0.37 0 C-N-CA 124.144 0.978 . . . . 0.0 110.515 177.009 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . 0.496 HD11 HG21 ' B' ' 18' ' ' VAL . 0.3 OUTLIER -71.17 -26.84 63.15 Favored 'General case' 0 CA--C 1.546 0.826 0 CA-C-N 120.134 1.334 . . . . 0.0 112.173 -179.57 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 31.8 mt-10 -50.23 -36.21 30.06 Favored 'General case' 0 N--CA 1.479 1.021 0 C-N-CA 124.157 0.983 . . . . 0.0 111.984 169.494 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 62.2 m-20 -61.46 -24.54 66.63 Favored 'General case' 0 CA--C 1.54 0.59 0 C-N-CA 124.721 1.208 . . . . 0.0 112.908 -172.119 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 86.2 m-85 -88.46 -6.98 57.3 Favored 'General case' 0 CA--C 1.542 0.637 0 C-N-CA 126.304 1.841 . . . . 0.0 113.482 -176.737 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 19.0 t -68.42 -28.99 67.57 Favored 'General case' 0 CA--C 1.544 0.733 0 C-N-CA 123.715 0.806 . . . . 0.0 113.001 176.466 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--O 1.255 1.349 0 C-N-CA 127.308 2.243 . . . . 0.0 112.423 177.131 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' B' B ' 1' ' ' PHE . . . . . . . . . . . . . 69.3 t80 . . . . . 0 N--CA 1.487 1.379 0 N-CA-C 110.717 -0.105 . . . . 0.0 110.717 . . . . . . . . . 0 0 . 1 . 025 nuclear nobuild core ' B' B ' 2' ' ' VAL . . . . . . . . . . . . . 84.0 t -132.95 124.67 50.68 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.977 0 C-N-CA 125.129 1.371 . . . . 0.0 108.472 170.346 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' B' B ' 3' ' ' ASN . . . . . . . . . . . . . 9.0 m120 -62.3 111.81 2.15 Favored 'General case' 0 CA--C 1.537 0.449 0 C-N-CA 124.234 1.013 . . . . 0.0 109.974 173.901 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' B' B ' 4' ' ' GLN . . . . . . . . . . . . . 11.9 pt20 -156.98 175.94 13.43 Favored 'General case' 0 CA--C 1.535 0.368 0 C-N-CA 123.577 0.751 . . . . 0.0 111.268 -170.863 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' B' B ' 5' ' ' HIS . . . . . . . . . . . . . 67.2 m-70 -81.49 127.72 33.12 Favored 'General case' 0 CA--C 1.546 0.791 0 C-N-CA 124.446 1.098 . . . . 0.0 109.915 168.91 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 93.6 mt -132.12 136.31 47.04 Favored 'General case' 0 N--CA 1.47 0.55 0 C-N-CA 125.231 1.412 . . . . 0.0 110.639 -175.599 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' B' B ' 7' ' ' CYS . . . . . . . . . . . . . 2.0 t -154.83 147.34 24.12 Favored 'General case' 0 N--CA 1.469 0.498 0 O-C-N 121.601 -0.687 . . . . 0.0 111.792 -179.672 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' B' B ' 8' ' ' GLY . . . . . . . . . . . . . . . 59.38 -128.42 47.1 Favored Glycine 0 CA--C 1.53 0.981 0 C-N-CA 123.917 0.77 . . . . 0.0 112.259 -179.582 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' B' B ' 9' ' ' SER . . . . . . . . . . . . . 20.3 m -53.57 -39.36 64.73 Favored 'General case' 0 N--CA 1.47 0.557 0 C-N-CA 124.568 1.147 . . . . 0.0 112.682 178.589 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' B' B ' 10' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -62.83 -37.42 86.71 Favored 'General case' 0 CA--C 1.543 0.699 0 O-C-N 121.247 -0.908 . . . . 0.0 112.562 177.899 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 15.3 tp -73.58 -43.15 60.48 Favored 'General case' 0 CA--C 1.535 0.394 0 C-N-CA 124.411 1.085 . . . . 0.0 110.967 177.842 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 75.1 t -59.79 -43.6 92.11 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.987 0 C-N-CA 124.03 0.932 . . . . 0.0 111.267 173.291 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 23.4 mt-10 -59.05 -45.54 90.51 Favored 'General case' 0 N--CA 1.466 0.333 0 C-N-CA 124.19 0.996 . . . . 0.0 112.188 173.633 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -61.12 -49.16 78.41 Favored 'General case' 0 CA--C 1.534 0.33 0 CA-C-N 119.0 0.818 . . . . 0.0 111.532 176.971 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 3.9 mm? -55.49 -39.6 70.63 Favored 'General case' 0 N--CA 1.47 0.567 0 CA-C-N 118.7 0.682 . . . . 0.0 112.028 176.667 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' B' B ' 16' ' ' TYR . . . . . . . . . . . . . 84.1 t80 -60.25 -45.11 94.4 Favored 'General case' 0 N--CA 1.466 0.372 0 CA-C-N 119.073 0.851 . . . . 0.0 112.216 172.374 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 96.3 mt -65.09 -50.45 66.06 Favored 'General case' 0 CA--C 1.539 0.551 0 CA-C-N 118.725 0.693 . . . . 0.0 111.925 179.321 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' B' B ' 18' ' ' VAL . . . . . 0.496 HG21 HD11 ' A' ' 16' ' ' LEU . 0.0 OUTLIER -76.64 -37.94 29.98 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.287 0 CA-C-N 118.701 0.682 . . . . 0.0 112.455 -174.308 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild core ' B' B ' 19' ' ' CYS . . . . . . . . . . . . . 28.6 t -104.34 -39.19 6.55 Favored 'General case' 0 CA--C 1.538 0.508 0 N-CA-C 113.64 0.978 . . . . 0.0 113.64 -172.361 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.472 1.082 0 C-N-CA 124.317 0.96 . . . . 0.0 113.136 -173.735 . . . . . . . . 0 0 . 1 . 026 nuclear nobuild core ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 7.7 tp . . . . . 0 N--CA 1.485 1.322 0 N-CA-C 114.156 1.169 . . . . 0.0 114.156 . . . . . . . . . 0 0 . 1 . 026 nuclear nobuild core ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 60.5 t -61.66 -35.1 65.24 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.989 0 C-N-CA 123.759 0.824 . . . . 0.0 110.985 176.688 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 41.9 mt-10 -77.05 -8.41 57.4 Favored 'General case' 0 CA--C 1.545 0.752 0 C-N-CA 124.345 1.058 . . . . 0.0 112.486 176.226 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 13.0 tp60 -99.35 -40.17 8.04 Favored 'General case' 0 CA--C 1.539 0.526 0 C-N-CA 124.527 1.131 . . . . 0.0 111.93 176.066 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -119.49 -17.35 8.75 Favored 'General case' 0 N--CA 1.481 1.075 0 N-CA-C 117.327 2.343 . . . . 0.0 117.327 -172.679 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 35.0 t -89.44 -32.03 17.43 Favored 'General case' 0 N--CA 1.478 0.973 0 N-CA-C 113.72 1.008 . . . . 0.0 113.72 177.441 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 6.5 t -69.0 -40.35 78.8 Favored 'General case' 0 N--CA 1.481 1.081 0 C-N-CA 124.186 0.994 . . . . 0.0 111.951 175.331 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 9' ' ' SER . . . . . 0.447 ' HA ' ' CE1' ' B' ' 5' ' ' HIS . 5.7 t -166.44 -174.6 2.91 Favored 'General case' 0 CA--C 1.534 0.354 0 C-N-CA 127.768 2.427 . . . . 0.0 109.789 173.44 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 16.9 mt -71.84 136.79 24.98 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.461 0 C-N-CA 124.381 1.072 . . . . 0.0 112.971 -163.137 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 13.9 p -115.46 163.28 15.97 Favored 'General case' 0 CA--C 1.539 0.535 0 C-N-CA 124.562 1.145 . . . . 0.0 113.036 169.11 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 63.9 m -108.19 157.47 18.29 Favored 'General case' 0 N--CA 1.47 0.561 0 C-N-CA 125.04 1.336 . . . . 0.0 112.676 173.742 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . 0.503 ' H ' HD23 ' A' ' 13' ' ' LEU . 1.5 pt? -58.56 -38.74 78.5 Favored 'General case' 0 N--CA 1.463 0.221 0 C-N-CA 123.83 0.852 . . . . 0.0 112.657 -173.084 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 25.0 p90 -70.5 -11.84 61.18 Favored 'General case' 0 CA--C 1.536 0.437 0 C-N-CA 125.308 1.443 . . . . 0.0 114.314 -174.207 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 3.9 pt20 -120.63 -24.46 5.76 Favored 'General case' 0 CA--C 1.534 0.359 0 C-N-CA 124.322 1.049 . . . . 0.0 111.727 -177.116 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . 0.43 HD23 ' HA ' ' A' ' 13' ' ' LEU . 0.3 OUTLIER -73.73 -34.18 64.66 Favored 'General case' 0 CA--C 1.542 0.646 0 C-N-CA 124.252 1.021 . . . . 0.0 111.094 174.15 . . . . . . . . 3 3 . 1 . 026 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -73.15 -16.74 61.44 Favored 'General case' 0 N--CA 1.469 0.5 0 N-CA-C 113.704 1.001 . . . . 0.0 113.704 -177.897 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -57.76 -26.35 61.74 Favored 'General case' 0 CA--C 1.544 0.746 0 C-N-CA 123.993 0.917 . . . . 0.0 112.07 168.602 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 88.7 m-85 -87.59 0.31 55.81 Favored 'General case' 0 CA--C 1.545 0.756 0 C-N-CA 125.229 1.411 . . . . 0.0 113.785 179.104 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 51.2 t -58.03 -43.25 86.67 Favored 'General case' 0 N--CA 1.47 0.556 0 C-N-CA 123.767 0.827 . . . . 0.0 113.005 -178.174 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 17.4 m120 . . . . . 0 C--O 1.253 1.28 0 C-N-CA 124.954 1.301 . . . . 0.0 112.421 -173.991 . . . . . . . . 0 0 . 1 . 026 nuclear nobuild core ' B' B ' 1' ' ' PHE . . . . . . . . . . . . . 74.3 t80 . . . . . 0 N--CA 1.487 1.382 0 CA-C-O 119.818 -0.134 . . . . 0.0 110.702 . . . . . . . . . 0 0 . 1 . 026 nuclear nobuild core ' B' B ' 2' ' ' VAL . . . . . . . . . . . . . 91.8 t -132.57 123.74 50.04 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.043 0 C-N-CA 124.957 1.303 . . . . 0.0 108.332 170.313 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' B' B ' 3' ' ' ASN . . . . . . . . . . . . . 5.1 m120 -67.73 111.44 4.26 Favored 'General case' 0 CA--C 1.543 0.676 0 C-N-CA 124.55 1.14 . . . . 0.0 109.316 175.911 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' B' B ' 4' ' ' GLN . . . . . . . . . . . . . 15.1 pt20 -157.27 179.79 8.93 Favored 'General case' 0 CA--C 1.537 0.451 0 C-N-CA 124.677 1.191 . . . . 0.0 111.751 -170.392 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' B' B ' 5' ' ' HIS . . . . . 0.447 ' CE1' ' HA ' ' A' ' 9' ' ' SER . 88.6 m-70 -80.63 127.36 32.38 Favored 'General case' 0 CA--C 1.541 0.631 0 C-N-CA 124.397 1.079 . . . . 0.0 110.673 171.885 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 94.6 mt -134.55 136.84 43.32 Favored 'General case' 0 N--CA 1.47 0.574 0 C-N-CA 124.273 1.029 . . . . 0.0 110.738 -176.307 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' B' B ' 7' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -155.35 147.39 23.53 Favored 'General case' 0 N--CA 1.468 0.45 0 C-N-CA 123.734 0.814 . . . . 0.0 111.492 -178.381 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' B' B ' 8' ' ' GLY . . . . . . . . . . . . . . . 57.39 -124.61 36.51 Favored Glycine 0 CA--C 1.529 0.947 0 C-N-CA 124.069 0.842 . . . . 0.0 113.042 177.639 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' B' B ' 9' ' ' SER . . . . . . . . . . . . . 8.9 t -55.85 -40.03 72.3 Favored 'General case' 0 CA--C 1.541 0.621 0 C-N-CA 123.775 0.83 . . . . 0.0 112.391 178.29 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' B' B ' 10' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -63.08 -33.15 74.83 Favored 'General case' 0 N--CA 1.473 0.709 0 O-C-N 120.798 -1.188 . . . . 0.0 112.805 177.074 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 14.3 tp -74.22 -43.56 56.63 Favored 'General case' 0 CA--C 1.538 0.493 0 C-N-CA 124.865 1.266 . . . . 0.0 110.847 178.047 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 86.9 t -61.2 -42.66 94.25 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.162 0 C-N-CA 124.111 0.965 . . . . 0.0 111.265 172.034 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 25.2 mt-10 -57.88 -47.43 82.78 Favored 'General case' 0 N--CA 1.465 0.277 0 C-N-CA 123.67 0.788 . . . . 0.0 111.654 172.628 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' B' B ' 14' ' ' ALA . . . . . 0.401 ' O ' HG23 ' B' ' 18' ' ' VAL . . . -59.74 -45.5 92.02 Favored 'General case' 0 CA--C 1.535 0.401 0 CA-C-N 119.39 0.995 . . . . 0.0 112.341 178.179 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 3.4 mm? -56.87 -38.07 72.23 Favored 'General case' 0 N--CA 1.468 0.47 0 CA-C-N 118.569 0.622 . . . . 0.0 112.169 174.63 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' B' B ' 16' ' ' TYR . . . . . . . . . . . . . 68.0 t80 -63.95 -43.49 95.65 Favored 'General case' 0 CA--C 1.538 0.5 0 CA-C-N 118.946 0.794 . . . . 0.0 111.901 172.991 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 97.4 mt -65.3 -43.55 90.73 Favored 'General case' 0 CA--C 1.533 0.31 0 CA-C-O 118.544 -0.741 . . . . 0.0 112.58 -179.782 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' B' B ' 18' ' ' VAL . . . . . 0.401 HG23 ' O ' ' B' ' 14' ' ' ALA . 0.2 OUTLIER -78.21 -51.32 17.83 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.059 0 CA-C-N 118.967 0.803 . . . . 0.0 111.755 178.46 . . . . . . . . 3 3 . 1 . 026 nuclear nobuild core ' B' B ' 19' ' ' CYS . . . . . . . . . . . . . 34.2 t -98.25 -39.53 8.8 Favored 'General case' 0 CA--C 1.541 0.606 0 N-CA-C 113.487 0.921 . . . . 0.0 113.487 -166.898 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.474 1.231 0 C-N-CA 124.334 0.968 . . . . 0.0 114.235 -171.845 . . . . . . . . 0 0 . 1 . 027 nuclear nobuild core ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 7.1 tp . . . . . 0 N--CA 1.485 1.294 0 N-CA-C 113.967 1.099 . . . . 0.0 113.967 . . . . . . . . . 0 0 . 1 . 027 nuclear nobuild core ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 88.3 t -62.46 -35.41 69.72 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.994 0 C-N-CA 123.793 0.837 . . . . 0.0 111.214 176.531 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 41.3 mt-10 -78.41 -8.34 58.37 Favored 'General case' 0 CA--C 1.544 0.743 0 C-N-CA 124.297 1.039 . . . . 0.0 112.521 177.092 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 10.4 tp60 -97.34 -43.11 7.45 Favored 'General case' 0 CA--C 1.538 0.504 0 C-N-CA 124.4 1.08 . . . . 0.0 111.505 173.203 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 97.5 m -112.58 -24.64 9.56 Favored 'General case' 0 N--CA 1.475 0.813 0 N-CA-C 116.462 2.023 . . . . 0.0 116.462 -168.736 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 42.2 t -86.48 -36.32 19.11 Favored 'General case' 0 N--CA 1.48 1.044 0 CA-C-N 119.989 1.268 . . . . 0.0 113.588 -179.836 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 5.3 t -75.15 -27.33 59.68 Favored 'General case' 0 N--CA 1.478 0.961 0 C-N-CA 124.564 1.146 . . . . 0.0 113.336 179.765 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 98.6 p -166.58 168.69 14.37 Favored 'General case' 0 N--CA 1.468 0.429 0 C-N-CA 126.784 2.033 . . . . 0.0 110.638 -174.137 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 14.2 mt -73.79 126.04 33.88 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.513 0 O-C-N 121.44 -0.787 . . . . 0.0 111.391 -172.45 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 29.2 p -104.65 154.03 20.47 Favored 'General case' 0 CA--C 1.535 0.375 0 C-N-CA 124.825 1.25 . . . . 0.0 112.05 172.78 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 70.4 m -93.06 153.46 18.68 Favored 'General case' 0 N--CA 1.469 0.521 0 C-N-CA 123.567 0.747 . . . . 0.0 111.913 171.769 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . 0.611 ' H ' HD23 ' A' ' 13' ' ' LEU . 1.4 pt? -57.95 -42.81 85.73 Favored 'General case' 0 N--CA 1.463 0.224 0 C-N-CA 123.864 0.866 . . . . 0.0 112.106 -176.28 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 21.4 p90 -68.31 -15.32 63.52 Favored 'General case' 0 CA--C 1.536 0.441 0 C-N-CA 124.735 1.214 . . . . 0.0 114.204 -172.962 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 3.9 pt20 -109.72 -24.48 10.88 Favored 'General case' 0 N--CA 1.464 0.255 0 C-N-CA 124.051 0.94 . . . . 0.0 110.716 -179.613 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -76.44 -31.06 57.63 Favored 'General case' 0 CA--C 1.548 0.887 0 CA-C-N 118.992 0.815 . . . . 0.0 111.531 174.197 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 31.8 mt-10 -51.35 -37.58 48.65 Favored 'General case' 0 N--CA 1.481 1.124 0 C-N-CA 124.642 1.177 . . . . 0.0 111.833 171.429 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 6.6 m-80 -63.85 -15.24 58.43 Favored 'General case' 0 CA--C 1.547 0.861 0 C-N-CA 124.246 1.018 . . . . 0.0 113.582 -175.395 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 81.7 m-85 -88.53 -8.89 54.05 Favored 'General case' 0 CA--C 1.542 0.653 0 C-N-CA 125.037 1.335 . . . . 0.0 113.46 175.697 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 10.7 t -75.67 -25.41 56.75 Favored 'General case' 0 CA--C 1.545 0.779 0 C-N-CA 123.871 0.869 . . . . 0.0 112.856 174.758 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 35.5 m120 . . . . . 0 C--O 1.254 1.309 0 C-N-CA 125.817 1.647 . . . . 0.0 113.016 178.81 . . . . . . . . 0 0 . 1 . 027 nuclear nobuild core ' B' B ' 1' ' ' PHE . . . . . . . . . . . . . 50.1 t80 . . . . . 0 N--CA 1.487 1.408 0 CA-C-O 119.619 -0.229 . . . . 0.0 110.699 . . . . . . . . . 0 0 . 1 . 027 nuclear nobuild core ' B' B ' 2' ' ' VAL . . . . . . . . . . . . . 92.1 t -128.8 118.97 48.53 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.991 0 C-N-CA 124.892 1.277 . . . . 0.0 108.911 173.422 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' B' B ' 3' ' ' ASN . . . . . . . . . . . . . 68.5 m-20 -68.52 121.14 15.74 Favored 'General case' 0 CA--C 1.537 0.449 0 CA-C-O 121.213 0.53 . . . . 0.0 110.373 164.614 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' B' B ' 4' ' ' GLN . . . . . . . . . . . . . 10.3 pt20 -161.33 -175.85 5.06 Favored 'General case' 0 C--N 1.329 -0.287 0 C-N-CA 125.805 1.642 . . . . 0.0 109.793 -178.815 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' B' B ' 5' ' ' HIS . . . . . . . . . . . . . 79.7 m-70 -77.49 133.03 38.67 Favored 'General case' 0 CA--C 1.541 0.612 0 C-N-CA 123.689 0.795 . . . . 0.0 109.661 169.154 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 93.2 mt -137.8 120.63 16.42 Favored 'General case' 0 N--CA 1.466 0.34 0 C-N-CA 124.871 1.268 . . . . 0.0 110.29 -173.836 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' B' B ' 7' ' ' CYS . . . . . . . . . . . . . 57.8 m -136.24 140.98 43.89 Favored 'General case' 0 CA--C 1.537 0.473 0 C-N-CA 124.937 1.295 . . . . 0.0 110.109 -177.811 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' B' B ' 8' ' ' GLY . . . . . . . . . . . . . . . 57.4 -122.55 29.58 Favored Glycine 0 N--CA 1.472 1.064 0 C-N-CA 123.852 0.739 . . . . 0.0 113.137 172.972 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' B' B ' 9' ' ' SER . . . . . . . . . . . . . 8.8 t -55.81 -39.4 71.29 Favored 'General case' 0 CA--C 1.542 0.65 0 C-N-CA 123.906 0.882 . . . . 0.0 112.485 179.166 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' B' B ' 10' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -63.15 -37.26 86.51 Favored 'General case' 0 N--CA 1.473 0.688 0 O-C-N 120.778 -1.201 . . . . 0.0 112.326 176.214 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 19.7 tp -72.3 -42.53 65.39 Favored 'General case' 0 CA--C 1.536 0.42 0 C-N-CA 124.403 1.081 . . . . 0.0 111.144 178.153 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 69.2 t -59.78 -43.39 91.62 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.961 0 C-N-CA 124.016 0.926 . . . . 0.0 111.142 171.827 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 21.3 mt-10 -58.75 -45.23 90.2 Favored 'General case' 0 N--CA 1.467 0.402 0 C-N-CA 123.75 0.82 . . . . 0.0 112.343 173.534 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -61.02 -49.41 77.53 Favored 'General case' 0 N--CA 1.453 -0.295 0 CA-C-N 119.242 0.928 . . . . 0.0 111.492 176.588 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 3.9 mm? -55.13 -38.22 67.91 Favored 'General case' 0 N--CA 1.47 0.575 0 CA-C-N 119.009 0.822 . . . . 0.0 112.235 176.999 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' B' B ' 16' ' ' TYR . . . . . . . . . . . . . 52.5 t80 -61.72 -42.3 98.77 Favored 'General case' 0 CA--C 1.537 0.469 0 CA-C-N 119.208 0.913 . . . . 0.0 112.462 172.542 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 95.3 mt -70.33 -47.99 58.53 Favored 'General case' 0 CA--C 1.537 0.449 0 O-C-N 121.742 -0.599 . . . . 0.0 112.229 179.428 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' B' B ' 18' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -78.43 -38.07 22.27 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.221 0 CA-C-N 118.867 0.758 . . . . 0.0 112.587 -175.725 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' B' B ' 19' ' ' CYS . . . . . . . . . . . . . 25.9 t -106.18 -46.68 4.01 Favored 'General case' 0 CA--C 1.536 0.431 0 N-CA-C 112.532 0.568 . . . . 0.0 112.532 -174.465 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.47 0.923 0 C-N-CA 123.874 0.749 . . . . 0.0 112.549 -171.802 . . . . . . . . 0 0 . 1 . 028 nuclear nobuild core ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 8.6 tp . . . . . 0 N--CA 1.481 1.123 0 N-CA-C 113.143 0.794 . . . . 0.0 113.143 . . . . . . . . . 0 0 . 1 . 028 nuclear nobuild core ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 98.3 t -64.44 -34.95 72.83 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.906 0 C-N-CA 124.002 0.921 . . . . 0.0 110.9 179.288 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 38.2 mt-10 -77.41 -5.26 49.11 Favored 'General case' 0 CA--C 1.542 0.665 0 C-N-CA 124.1 0.96 . . . . 0.0 112.808 178.631 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 9.7 mt-30 -102.1 -53.29 2.96 Favored 'General case' 0 CA--C 1.536 0.41 0 CA-C-N 118.932 0.787 . . . . 0.0 111.215 166.641 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 92.3 m -87.5 -33.68 18.9 Favored 'General case' 0 N--CA 1.469 0.51 0 N-CA-C 115.468 1.655 . . . . 0.0 115.468 -168.367 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 14.1 t -78.4 -25.82 46.26 Favored 'General case' 0 N--CA 1.477 0.896 0 O-C-N 121.241 -0.912 . . . . 0.0 113.322 -179.865 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 5.4 t -89.58 -28.52 19.51 Favored 'General case' 0 N--CA 1.474 0.751 0 C-N-CA 125.024 1.33 . . . . 0.0 113.411 -179.192 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 16.9 m -158.01 174.47 15.18 Favored 'General case' 0 N--CA 1.474 0.774 0 C-N-CA 125.163 1.385 . . . . 0.0 112.535 -169.642 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 24.7 mm -59.55 124.97 14.85 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.864 0 O-C-N 121.158 -0.964 . . . . 0.0 109.094 168.533 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 21.8 p -114.08 147.57 38.53 Favored 'General case' 0 N--CA 1.47 0.56 0 C-N-CA 123.338 0.655 . . . . 0.0 111.946 170.276 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 38.0 m -97.69 152.09 19.46 Favored 'General case' 0 N--CA 1.471 0.586 0 C-N-CA 124.05 0.94 . . . . 0.0 112.556 -178.656 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . 0.589 ' H ' HD23 ' A' ' 13' ' ' LEU . 1.4 pt? -56.31 -43.83 79.34 Favored 'General case' 0 N--CA 1.464 0.26 0 C-N-CA 123.758 0.823 . . . . 0.0 111.817 -175.075 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 21.7 p90 -65.44 -16.66 63.86 Favored 'General case' 0 CA--C 1.538 0.509 0 N-CA-C 114.611 1.337 . . . . 0.0 114.611 -175.013 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 3.9 pt20 -111.42 -29.78 7.65 Favored 'General case' 0 N--CA 1.467 0.413 0 C-N-CA 123.99 0.916 . . . . 0.0 110.41 -177.747 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . 0.489 HD11 HG21 ' B' ' 18' ' ' VAL . 0.1 OUTLIER -69.86 -37.11 76.0 Favored 'General case' 0 CA--C 1.55 0.977 0 C-N-CA 124.001 0.92 . . . . 0.0 110.795 171.765 . . . . . . . . 3 3 . 1 . 028 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 13.2 mt-10 -50.79 -37.89 45.06 Favored 'General case' 0 N--CA 1.479 1.002 0 C-N-CA 126.861 2.065 . . . . 0.0 112.353 173.859 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 3.9 m-80 -62.35 -19.7 63.63 Favored 'General case' 0 CA--C 1.544 0.733 0 C-N-CA 123.88 0.872 . . . . 0.0 112.968 -175.41 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 95.9 m-85 -89.31 -3.16 58.6 Favored 'General case' 0 CA--C 1.542 0.648 0 C-N-CA 125.039 1.336 . . . . 0.0 113.974 177.94 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 28.9 t -69.23 -27.07 65.14 Favored 'General case' 0 CA--C 1.546 0.793 0 O-C-N 121.471 -0.768 . . . . 0.0 112.781 171.067 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 C--O 1.254 1.31 0 C-N-CA 126.025 1.73 . . . . 0.0 112.045 177.016 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' B' B ' 1' ' ' PHE . . . . . . . . . . . . . 69.0 t80 . . . . . 0 N--CA 1.487 1.389 0 CA-C-O 119.644 -0.217 . . . . 0.0 110.8 . . . . . . . . . 0 0 . 1 . 028 nuclear nobuild core ' B' B ' 2' ' ' VAL . . . . . . . . . . . . . 91.6 t -130.44 119.59 46.47 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.02 0 C-N-CA 125.062 1.345 . . . . 0.0 108.838 173.617 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' B' B ' 3' ' ' ASN . . . . . . . . . . . . . 69.5 m-20 -60.65 122.06 13.77 Favored 'General case' 0 CA--C 1.535 0.367 0 C-N-CA 123.228 0.611 . . . . 0.0 110.18 170.079 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' B' B ' 4' ' ' GLN . . . . . . . . . . . . . 9.8 pt20 -159.38 179.04 9.3 Favored 'General case' 0 CA--C 1.534 0.348 0 C-N-CA 123.356 0.662 . . . . 0.0 111.296 -171.853 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' B' B ' 5' ' ' HIS . . . . . . . . . . . . . 77.0 m-70 -81.22 128.28 33.61 Favored 'General case' 0 CA--C 1.544 0.725 0 C-N-CA 124.157 0.983 . . . . 0.0 110.105 170.162 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' B' B ' 6' ' ' LEU . . . . . 0.432 HD13 ' CB ' ' B' ' 14' ' ' ALA . 58.7 mt -139.73 134.64 32.17 Favored 'General case' 0 N--CA 1.471 0.625 0 C-N-CA 124.718 1.207 . . . . 0.0 110.78 -172.902 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' B' B ' 7' ' ' CYS . . . . . . . . . . . . . 1.8 t -157.73 145.68 18.82 Favored 'General case' 0 N--CA 1.469 0.479 0 C-N-CA 123.529 0.732 . . . . 0.0 111.59 -179.521 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' B' B ' 8' ' ' GLY . . . . . . . . . . . . . . . 60.07 -126.47 41.67 Favored Glycine 0 CA--C 1.53 1.009 0 C-N-CA 123.987 0.803 . . . . 0.0 112.327 -179.06 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' B' B ' 9' ' ' SER . . . . . . . . . . . . . 17.5 m -54.05 -39.55 66.32 Favored 'General case' 0 N--CA 1.471 0.591 0 C-N-CA 124.472 1.109 . . . . 0.0 112.652 177.984 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' B' B ' 10' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -63.12 -34.42 77.57 Favored 'General case' 0 N--CA 1.471 0.617 0 O-C-N 121.205 -0.934 . . . . 0.0 112.589 176.927 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 14.5 tp -74.18 -41.82 60.86 Favored 'General case' 0 CA--C 1.538 0.497 0 C-N-CA 124.272 1.029 . . . . 0.0 111.074 178.234 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 91.3 t -60.66 -41.63 88.87 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.139 0 C-N-CA 124.363 1.065 . . . . 0.0 111.375 171.18 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 25.4 mt-10 -59.33 -50.94 72.05 Favored 'General case' 0 CA--C 1.53 0.21 0 C-N-CA 123.507 0.723 . . . . 0.0 111.354 171.145 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' B' B ' 14' ' ' ALA . . . . . 0.537 ' O ' HG22 ' B' ' 18' ' ' VAL . . . -58.75 -46.14 88.11 Favored 'General case' 0 CA--C 1.532 0.287 0 CA-C-N 120.004 1.274 . . . . 0.0 112.691 179.713 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 3.8 mm? -56.55 -34.23 66.89 Favored 'General case' 0 N--CA 1.473 0.681 0 CA-C-N 118.919 0.781 . . . . 0.0 112.009 176.235 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' B' B ' 16' ' ' TYR . . . . . . . . . . . . . 87.8 t80 -66.24 -45.49 80.47 Favored 'General case' 0 CA--C 1.536 0.442 0 O-C-N 121.541 -0.724 . . . . 0.0 112.226 169.292 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 84.2 mt -63.48 -45.88 88.73 Favored 'General case' 0 N--CA 1.469 0.477 0 CA-C-N 119.122 0.874 . . . . 0.0 112.657 -179.143 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' B' B ' 18' ' ' VAL . . . . . 0.537 HG22 ' O ' ' B' ' 14' ' ' ALA . 0.0 OUTLIER -71.39 -46.02 66.44 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.019 0 CA-C-O 119.004 -0.522 . . . . 0.0 112.189 177.535 . . . . . . . . 3 3 . 1 . 028 nuclear nobuild core ' B' B ' 19' ' ' CYS . . . . . . . . . . . . . 9.2 t -123.33 -30.89 3.62 Favored 'General case' 0 N--CA 1.474 0.733 0 N-CA-C 115.824 1.787 . . . . 0.0 115.824 -164.729 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.475 1.281 0 CA-C-N 119.162 0.892 . . . . 0.0 113.601 -173.205 . . . . . . . . 0 0 . 1 . 029 nuclear nobuild core ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 9.0 tp . . . . . 0 N--CA 1.479 0.993 0 N-CA-C 113.589 0.959 . . . . 0.0 113.589 . . . . . . . . . 0 0 . 1 . 029 nuclear nobuild core ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 93.7 t -72.06 -41.45 67.82 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.056 0 C-N-CA 123.628 0.771 . . . . 0.0 109.977 -177.951 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 1.1 pm0 -78.2 12.3 1.94 Allowed 'General case' 0 CA--C 1.547 0.861 0 C-N-CA 125.05 1.34 . . . . 0.0 113.557 173.755 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 20.9 mm-40 -109.62 -61.42 1.64 Allowed 'General case' 0 CA--C 1.537 0.47 0 O-C-N 120.646 -1.284 . . . . 0.0 110.94 152.313 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 98.5 m -75.92 -36.73 59.3 Favored 'General case' 0 CA--C 1.537 0.449 0 N-CA-C 115.469 1.655 . . . . 0.0 115.469 -167.951 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 14.1 t -77.25 -29.4 53.97 Favored 'General case' 0 N--CA 1.474 0.767 0 O-C-N 121.088 -1.008 . . . . 0.0 113.025 -179.715 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 12.5 t -88.12 -32.77 18.51 Favored 'General case' 0 N--CA 1.474 0.735 0 C-N-CA 124.845 1.258 . . . . 0.0 112.932 179.958 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 9' ' ' SER . . . . . 0.431 ' HA ' ' CE1' ' B' ' 5' ' ' HIS . 3.5 t -149.91 -175.64 5.12 Favored 'General case' 0 CA--C 1.542 0.638 0 N-CA-C 113.512 0.93 . . . . 0.0 113.512 -177.083 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 36.4 mm -60.52 129.79 23.55 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.417 0 C-N-CA 123.833 0.853 . . . . 0.0 109.662 169.867 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 17.6 p -124.49 148.86 47.43 Favored 'General case' 0 CA--C 1.537 0.452 0 CA-C-O 121.643 0.735 . . . . 0.0 112.137 167.626 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 50.9 m -108.05 157.12 18.53 Favored 'General case' 0 N--CA 1.469 0.502 0 C-N-CA 124.821 1.248 . . . . 0.0 112.542 -179.89 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . 0.588 ' H ' HD23 ' A' ' 13' ' ' LEU . 1.3 pt? -54.58 -44.85 73.35 Favored 'General case' 0 N--CA 1.463 0.215 0 C-N-CA 124.437 1.095 . . . . 0.0 111.863 -174.986 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 27.3 p90 -64.8 -16.93 63.73 Favored 'General case' 0 CA--C 1.538 0.499 0 N-CA-C 114.48 1.289 . . . . 0.0 114.48 -173.135 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 3.5 pt20 -115.28 -26.53 7.58 Favored 'General case' 0 CA--C 1.533 0.3 0 C-N-CA 124.352 1.061 . . . . 0.0 110.803 -176.291 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . 0.512 HD11 HG21 ' B' ' 18' ' ' VAL . 0.2 OUTLIER -72.92 -36.48 67.26 Favored 'General case' 0 CA--C 1.552 1.02 0 C-N-CA 124.167 0.987 . . . . 0.0 110.895 171.429 . . . . . . . . 3 3 . 1 . 029 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 13.3 mt-10 -50.71 -38.48 47.38 Favored 'General case' 0 N--CA 1.481 1.121 0 C-N-CA 126.949 2.099 . . . . 0.0 112.035 174.735 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 3.2 m-80 -60.22 -21.03 61.29 Favored 'General case' 0 CA--C 1.543 0.676 0 C-N-CA 124.643 1.177 . . . . 0.0 113.152 -176.093 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 96.4 m-85 -90.99 -5.62 55.13 Favored 'General case' 0 CA--C 1.54 0.589 0 C-N-CA 125.092 1.357 . . . . 0.0 114.268 179.995 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 17.1 t -71.65 -26.01 62.37 Favored 'General case' 0 CA--C 1.546 0.813 0 O-C-N 121.478 -0.763 . . . . 0.0 112.779 172.071 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 C--O 1.253 1.278 0 C-N-CA 126.203 1.801 . . . . 0.0 112.083 177.311 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' B' B ' 1' ' ' PHE . . . . . . . . . . . . . 39.6 t80 . . . . . 0 N--CA 1.487 1.393 0 CA-C-O 119.445 -0.312 . . . . 0.0 110.573 . . . . . . . . . 0 0 . 1 . 029 nuclear nobuild core ' B' B ' 2' ' ' VAL . . . . . . . . . . . . . 59.8 t -120.93 126.07 74.78 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.09 0 C-N-CA 124.97 1.308 . . . . 0.0 108.928 176.09 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' B' B ' 3' ' ' ASN . . . . . . . . . . . . . 71.4 m-20 -80.79 114.08 19.43 Favored 'General case' 0 CA--C 1.538 0.486 0 N-CA-C 109.351 -0.611 . . . . 0.0 109.351 172.897 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' B' B ' 4' ' ' GLN . . . . . . . . . . . . . 7.8 pt20 -157.78 -179.45 8.16 Favored 'General case' 0 CA--C 1.537 0.446 0 C-N-CA 123.915 0.886 . . . . 0.0 111.327 -171.129 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' B' B ' 5' ' ' HIS . . . . . 0.431 ' CE1' ' HA ' ' A' ' 9' ' ' SER . 67.2 m-70 -76.41 137.1 39.54 Favored 'General case' 0 CA--C 1.544 0.733 0 C-N-CA 124.434 1.094 . . . . 0.0 110.124 166.208 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 72.3 mt -146.13 132.72 19.83 Favored 'General case' 0 N--CA 1.473 0.677 0 C-N-CA 125.586 1.554 . . . . 0.0 110.246 -175.837 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' B' B ' 7' ' ' CYS . . . . . . . . . . . . . 3.3 t -156.08 146.14 21.39 Favored 'General case' 0 N--CA 1.469 0.509 0 C-N-CA 123.402 0.681 . . . . 0.0 111.74 -178.385 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' B' B ' 8' ' ' GLY . . . . . . . . . . . . . . . 60.66 -126.36 40.82 Favored Glycine 0 CA--C 1.529 0.953 0 C-N-CA 123.874 0.749 . . . . 0.0 112.485 179.77 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' B' B ' 9' ' ' SER . . . . . . . . . . . . . 8.8 t -56.01 -38.68 70.82 Favored 'General case' 0 N--CA 1.473 0.683 0 C-N-CA 123.67 0.788 . . . . 0.0 112.421 178.105 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' B' B ' 10' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -62.78 -34.86 78.13 Favored 'General case' 0 N--CA 1.474 0.758 0 O-C-N 120.842 -1.162 . . . . 0.0 112.776 175.329 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 15.0 tp -73.23 -42.93 62.02 Favored 'General case' 0 CA--C 1.536 0.43 0 C-N-CA 124.096 0.958 . . . . 0.0 111.083 177.405 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 92.9 t -60.03 -42.38 89.51 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.053 0 C-N-CA 124.18 0.992 . . . . 0.0 111.117 172.185 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 21.3 mt-10 -58.5 -48.74 79.81 Favored 'General case' 0 CA--C 1.531 0.221 0 C-N-CA 123.479 0.711 . . . . 0.0 111.694 171.918 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' B' B ' 14' ' ' ALA . . . . . 0.555 ' O ' HG22 ' B' ' 18' ' ' VAL . . . -59.1 -47.01 86.82 Favored 'General case' 0 CA--C 1.532 0.275 0 CA-C-N 119.881 1.219 . . . . 0.0 112.616 178.114 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 3.9 mm? -56.73 -35.73 68.9 Favored 'General case' 0 N--CA 1.472 0.658 0 CA-C-N 118.87 0.759 . . . . 0.0 112.105 176.15 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' B' B ' 16' ' ' TYR . . . . . . . . . . . . . 84.3 t80 -63.06 -45.74 90.79 Favored 'General case' 0 CA--C 1.535 0.396 0 CA-C-N 118.842 0.747 . . . . 0.0 112.028 169.975 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 86.7 mt -62.71 -52.66 62.39 Favored 'General case' 0 CA--C 1.537 0.472 0 CA-C-N 119.244 0.929 . . . . 0.0 111.882 179.436 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' B' B ' 18' ' ' VAL . . . . . 0.555 HG22 ' O ' ' B' ' 14' ' ' ALA . 0.1 OUTLIER -69.44 -43.85 80.48 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.968 0 N-CA-C 112.657 0.614 . . . . 0.0 112.657 -177.178 . . . . . . . . 3 3 . 1 . 029 nuclear nobuild core ' B' B ' 19' ' ' CYS . . . . . . . . . . . . . 7.9 t -115.35 -20.08 10.45 Favored 'General case' 0 N--CA 1.474 0.726 0 N-CA-C 115.209 1.559 . . . . 0.0 115.209 -165.688 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.475 1.272 0 C-N-CA 124.485 1.04 . . . . 0.0 113.133 179.109 . . . . . . . . 0 0 . 1 . 030 nuclear nobuild core ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 4.9 tp . . . . . 0 N--CA 1.486 1.331 0 CA-C-O 120.357 0.122 . . . . 0.0 111.035 . . . . . . . . . 0 0 . 1 . 030 nuclear nobuild core ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 96.4 t -64.14 -41.9 93.89 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.043 0 C-N-CA 124.836 1.254 . . . . 0.0 110.669 -177.462 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 1.3 pm0 -72.36 9.06 1.12 Allowed 'General case' 0 CA--C 1.545 0.76 0 C-N-CA 125.018 1.327 . . . . 0.0 113.557 175.813 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 24.6 mm-40 -121.86 -54.21 1.94 Allowed 'General case' 0 CA--C 1.537 0.455 0 C-N-CA 124.814 1.245 . . . . 0.0 110.709 169.25 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 2.2 t -90.58 -23.64 20.79 Favored 'General case' 0 N--CA 1.473 0.712 0 N-CA-C 115.255 1.576 . . . . 0.0 115.255 -172.267 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 13.6 t -75.05 -27.45 60.0 Favored 'General case' 0 N--CA 1.479 0.987 0 O-C-N 120.572 -1.33 . . . . 0.0 112.719 170.18 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 11.2 t -94.06 -32.26 13.87 Favored 'General case' 0 N--CA 1.475 0.814 0 C-N-CA 125.155 1.382 . . . . 0.0 112.995 179.84 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 9' ' ' SER . . . . . 0.423 ' HA ' ' CE1' ' B' ' 5' ' ' HIS . 4.5 t -144.38 -173.4 4.02 Favored 'General case' 0 CA--C 1.543 0.694 0 C-N-CA 124.418 1.087 . . . . 0.0 113.15 -179.377 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 31.0 mm -66.65 136.12 27.28 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.542 0 O-C-N 120.736 -1.228 . . . . 0.0 110.578 174.791 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 16.2 p -123.56 159.1 29.91 Favored 'General case' 0 N--CA 1.471 0.598 0 CA-C-O 121.913 0.864 . . . . 0.0 112.399 157.181 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 32.3 m -130.29 150.82 51.36 Favored 'General case' 0 N--CA 1.466 0.333 0 C-N-CA 125.556 1.542 . . . . 0.0 110.214 -173.221 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . 0.505 ' H ' HD23 ' A' ' 13' ' ' LEU . 1.6 pt? -54.94 -40.03 69.52 Favored 'General case' 0 N--CA 1.463 0.191 0 C-N-CA 123.727 0.811 . . . . 0.0 112.287 -170.234 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 29.3 p90 -68.55 -13.78 62.56 Favored 'General case' 0 CA--C 1.534 0.332 0 C-N-CA 124.855 1.262 . . . . 0.0 114.262 -174.351 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 9.4 pt20 -122.04 -26.43 4.76 Favored 'General case' 0 C--O 1.222 -0.38 0 C-N-CA 123.887 0.875 . . . . 0.0 111.48 179.931 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . 0.481 HD11 HG21 ' B' ' 18' ' ' VAL . 0.3 OUTLIER -76.27 -27.54 56.71 Favored 'General case' 0 CA--C 1.545 0.764 0 CA-C-N 119.977 1.262 . . . . 0.0 112.003 179.033 . . . . . . . . 3 3 . 1 . 030 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 17.1 mt-10 -51.04 -33.78 26.81 Favored 'General case' 0 N--CA 1.48 1.046 0 C-N-CA 123.853 0.861 . . . . 0.0 111.881 169.627 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 50.8 m-20 -60.87 -24.34 65.85 Favored 'General case' 0 CA--C 1.543 0.71 0 C-N-CA 124.887 1.275 . . . . 0.0 112.882 -175.05 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 63.0 m-85 -87.92 -7.56 56.98 Favored 'General case' 0 CA--C 1.543 0.679 0 C-N-CA 126.213 1.805 . . . . 0.0 113.42 -177.418 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 35.7 t -68.42 -29.82 68.58 Favored 'General case' 0 CA--C 1.544 0.736 0 N-CA-C 113.34 0.867 . . . . 0.0 113.34 179.583 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 C--O 1.253 1.289 0 C-N-CA 125.949 1.7 . . . . 0.0 111.21 -177.493 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' B' B ' 1' ' ' PHE . . . . . . . . . . . . . 36.1 t80 . . . . . 0 N--CA 1.487 1.416 0 CA-C-O 119.606 -0.235 . . . . 0.0 110.669 . . . . . . . . . 0 0 . 1 . 030 nuclear nobuild core ' B' B ' 2' ' ' VAL . . . . . . . . . . . . . 65.5 t -126.99 127.96 70.22 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.046 0 C-N-CA 124.947 1.299 . . . . 0.0 108.946 175.469 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' B' B ' 3' ' ' ASN . . . . . . . . . . . . . 69.8 m-20 -81.37 115.98 20.98 Favored 'General case' 0 CA--C 1.539 0.547 0 N-CA-C 109.39 -0.596 . . . . 0.0 109.39 173.058 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' B' B ' 4' ' ' GLN . . . . . . . . . . . . . 8.5 pt20 -160.86 -178.87 7.12 Favored 'General case' 0 CA--C 1.537 0.463 0 C-N-CA 123.75 0.82 . . . . 0.0 111.442 -170.216 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' B' B ' 5' ' ' HIS . . . . . 0.423 ' CE1' ' HA ' ' A' ' 9' ' ' SER . 60.3 m-70 -77.44 138.08 39.05 Favored 'General case' 0 CA--C 1.545 0.788 0 C-N-CA 124.599 1.16 . . . . 0.0 109.761 165.929 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 79.9 mt -145.12 139.57 27.4 Favored 'General case' 0 N--CA 1.473 0.684 0 C-N-CA 125.304 1.442 . . . . 0.0 110.547 -176.883 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' B' B ' 7' ' ' CYS . . . . . . . . . . . . . 2.8 t -155.51 147.41 23.33 Favored 'General case' 0 N--CA 1.468 0.444 0 O-C-N 121.656 -0.653 . . . . 0.0 111.925 -179.01 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' B' B ' 8' ' ' GLY . . . . . . . . . . . . . . . 60.18 -129.13 47.3 Favored Glycine 0 N--CA 1.47 0.941 0 C-N-CA 123.956 0.789 . . . . 0.0 112.373 179.94 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' B' B ' 9' ' ' SER . . . . . . . . . . . . . 16.3 m -53.61 -39.71 65.13 Favored 'General case' 0 N--CA 1.469 0.514 0 C-N-CA 124.5 1.12 . . . . 0.0 112.66 178.33 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' B' B ' 10' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -62.68 -36.96 84.58 Favored 'General case' 0 CA--C 1.543 0.701 0 O-C-N 121.255 -0.903 . . . . 0.0 112.625 178.004 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 16.1 tp -73.49 -43.8 59.34 Favored 'General case' 0 CA--C 1.536 0.429 0 C-N-CA 124.644 1.178 . . . . 0.0 110.97 177.889 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 77.8 t -60.23 -43.1 92.59 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.015 0 C-N-CA 123.874 0.87 . . . . 0.0 111.134 173.594 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 22.5 mt-10 -59.19 -44.74 92.2 Favored 'General case' 0 N--CA 1.467 0.395 0 C-N-CA 124.43 1.092 . . . . 0.0 112.15 174.006 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -61.33 -51.06 70.43 Favored 'General case' 0 N--CA 1.453 -0.3 0 CA-C-O 118.384 -0.817 . . . . 0.0 111.243 176.479 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 4.0 mm? -54.26 -39.37 66.8 Favored 'General case' 0 N--CA 1.472 0.634 0 CA-C-N 119.18 0.9 . . . . 0.0 112.171 177.832 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' B' B ' 16' ' ' TYR . . . . . . . . . . . . . 63.5 t80 -60.45 -45.74 92.57 Favored 'General case' 0 N--CA 1.467 0.387 0 CA-C-N 118.816 0.735 . . . . 0.0 112.152 172.666 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 96.1 mt -65.66 -51.85 56.27 Favored 'General case' 0 CA--C 1.536 0.432 0 CA-C-N 118.675 0.67 . . . . 0.0 111.74 177.984 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' B' B ' 18' ' ' VAL . . . . . 0.481 HG21 HD11 ' A' ' 16' ' ' LEU . 0.0 OUTLIER -75.55 -30.27 21.78 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.162 0 CA-C-O 118.232 -0.89 . . . . 0.0 113.163 -172.254 . . . . . . . . 3 3 . 1 . 030 nuclear nobuild core ' B' B ' 19' ' ' CYS . . . . . . . . . . . . . 21.3 t -113.33 -36.31 5.04 Favored 'General case' 0 CA--C 1.538 0.499 0 N-CA-C 114.33 1.234 . . . . 0.0 114.33 -174.409 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.981 0 C-N-CA 124.045 0.831 . . . . 0.0 112.896 -176.454 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.478 1.457 0 N-CA-C 111.872 -0.491 . . . . 0.0 111.872 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 8.4 tp -64.74 -36.79 78.48 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.087 0 C-N-CA 124.285 1.034 . . . . 0.0 113.576 -173.784 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 93.5 t -64.03 -41.92 94.04 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.929 0 O-C-N 121.457 -0.777 . . . . 0.0 110.187 177.668 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 42.4 mp0 -73.04 -6.46 45.72 Favored 'General case' 0 CA--C 1.547 0.828 0 C-N-CA 124.003 0.921 . . . . 0.0 113.06 176.076 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 40.3 tp60 -98.78 -40.93 7.9 Favored 'General case' 0 CA--C 1.54 0.577 0 C-N-CA 124.44 1.096 . . . . 0.0 111.807 174.017 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 89.4 m -107.52 -30.49 8.6 Favored 'General case' 0 N--CA 1.475 0.799 0 N-CA-C 115.933 1.827 . . . . 0.0 115.933 -171.872 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 23.7 t -78.82 -33.83 45.77 Favored 'General case' 0 N--CA 1.479 0.999 0 O-C-N 120.954 -1.091 . . . . 0.0 113.661 -177.089 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 6.4 t -82.71 -30.25 29.25 Favored 'General case' 0 N--CA 1.477 0.911 0 C-N-CA 125.285 1.434 . . . . 0.0 113.246 -177.828 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 93.1 p -164.24 170.45 16.24 Favored 'General case' 0 CA--C 1.536 0.436 0 C-N-CA 126.69 1.996 . . . . 0.0 110.536 -172.544 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 9.8 mt -71.23 130.69 35.02 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.455 0 O-C-N 121.412 -0.805 . . . . 0.0 112.367 -170.291 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 18.8 p -115.69 166.36 12.02 Favored 'General case' 0 CA--C 1.541 0.609 0 C-N-CA 125.098 1.359 . . . . 0.0 111.619 171.228 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 50.7 m -131.43 155.35 47.49 Favored 'General case' 0 N--CA 1.467 0.391 0 C-N-CA 124.912 1.285 . . . . 0.0 111.261 -173.571 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . 0.55 ' H ' HD23 ' A' ' 13' ' ' LEU . 1.4 pt? -53.93 -42.86 69.26 Favored 'General case' 0 N--CA 1.464 0.248 0 C-N-CA 124.261 1.024 . . . . 0.0 111.929 -172.899 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 27.6 p90 -67.08 -13.87 62.35 Favored 'General case' 0 CA--C 1.536 0.43 0 N-CA-C 114.569 1.322 . . . . 0.0 114.569 -173.874 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 5.1 pt20 -118.36 -31.83 4.83 Favored 'General case' 0 C--O 1.223 -0.315 0 C-N-CA 123.956 0.902 . . . . 0.0 110.848 -178.641 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . 0.539 HD11 HG21 ' B' ' 18' ' ' VAL . 0.2 OUTLIER -70.06 -32.41 70.5 Favored 'General case' 0 CA--C 1.549 0.939 0 CA-C-N 119.21 0.913 . . . . 0.0 111.175 176.854 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 13.8 mt-10 -46.37 -36.98 6.94 Favored 'General case' 0 N--CA 1.479 0.977 0 C-N-CA 126.237 1.815 . . . . 0.0 112.548 169.782 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 80.9 m-20 -62.4 -24.52 67.44 Favored 'General case' 0 CA--C 1.541 0.628 0 C-N-CA 124.795 1.238 . . . . 0.0 112.89 -173.893 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 85.4 m-85 -88.18 -1.15 57.84 Favored 'General case' 0 CA--C 1.544 0.722 0 C-N-CA 126.164 1.786 . . . . 0.0 113.777 -176.134 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 6.6 t -76.06 -3.93 38.6 Favored 'General case' 0 CA--C 1.551 1.004 0 C-N-CA 124.148 0.979 . . . . 0.0 113.596 173.506 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 5.6 p-10 . . . . . 0 C--O 1.253 1.274 0 C-N-CA 126.48 1.912 . . . . 0.0 114.457 179.467 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' B' B ' 1' ' ' PHE . . . . . . . . . . . . . 38.7 t80 . . . . . 0 N--CA 1.487 1.399 0 CA-C-O 119.577 -0.249 . . . . 0.0 110.715 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' B' B ' 2' ' ' VAL . . . . . . . . . . . . . 61.5 t -128.46 127.94 67.61 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.05 0 C-N-CA 124.963 1.305 . . . . 0.0 108.962 174.983 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 3' ' ' ASN . . . . . . . . . . . . . 72.9 m-20 -81.53 112.69 18.99 Favored 'General case' 0 CA--C 1.537 0.453 0 C-N-CA 123.178 0.591 . . . . 0.0 109.52 172.573 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 4' ' ' GLN . . . . . . . . . . . . . 6.0 pt20 -158.46 -179.1 7.78 Favored 'General case' 0 CA--C 1.537 0.463 0 C-N-CA 125.251 1.42 . . . . 0.0 110.829 -172.703 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 5' ' ' HIS . . . . . . . . . . . . . 70.3 m-70 -75.18 136.12 41.04 Favored 'General case' 0 CA--C 1.542 0.672 0 C-N-CA 124.257 1.023 . . . . 0.0 109.835 167.574 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 86.9 mt -143.65 133.93 24.53 Favored 'General case' 0 N--CA 1.47 0.537 0 C-N-CA 124.942 1.297 . . . . 0.0 110.295 -175.812 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 7' ' ' CYS . . . . . . . . . . . . . 1.8 t -157.0 146.42 20.42 Favored 'General case' 0 N--CA 1.468 0.462 0 C-N-CA 123.665 0.786 . . . . 0.0 111.403 -175.715 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 8' ' ' GLY . . . . . . . . . . . . . . . 58.71 -127.28 44.85 Favored Glycine 0 CA--C 1.531 1.046 0 C-N-CA 123.902 0.763 . . . . 0.0 112.717 179.394 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 9' ' ' SER . . . . . . . . . . . . . 8.8 t -56.33 -38.1 70.87 Favored 'General case' 0 N--CA 1.473 0.687 0 C-N-CA 123.746 0.819 . . . . 0.0 112.607 178.698 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 10' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -62.75 -35.13 78.8 Favored 'General case' 0 CA--C 1.544 0.741 0 O-C-N 120.73 -1.231 . . . . 0.0 112.623 175.673 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 15.8 tp -74.12 -42.19 60.42 Favored 'General case' 0 CA--C 1.536 0.441 0 C-N-CA 124.398 1.079 . . . . 0.0 111.072 177.484 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 91.2 t -59.81 -41.79 86.82 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.106 0 C-N-CA 124.12 0.968 . . . . 0.0 111.189 171.532 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 19.7 mt-10 -58.77 -49.67 76.78 Favored 'General case' 0 N--CA 1.465 0.304 0 C-N-CA 123.425 0.69 . . . . 0.0 111.595 171.794 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 14' ' ' ALA . . . . . 0.539 ' O ' HG22 ' B' ' 18' ' ' VAL . . . -58.58 -47.0 85.75 Favored 'General case' 0 CA--C 1.534 0.364 0 CA-C-N 119.85 1.205 . . . . 0.0 112.529 177.724 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 3.9 mm? -57.2 -35.09 69.21 Favored 'General case' 0 N--CA 1.47 0.543 0 C-N-CA 123.549 0.74 . . . . 0.0 112.095 176.181 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 16' ' ' TYR . . . . . . . . . . . . . 90.0 t80 -62.48 -45.1 94.56 Favored 'General case' 0 CA--C 1.536 0.421 0 O-C-N 121.294 -0.878 . . . . 0.0 112.018 169.94 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 77.5 mt -65.97 -47.04 75.92 Favored 'General case' 0 N--CA 1.466 0.368 0 CA-C-N 118.868 0.758 . . . . 0.0 112.584 -178.079 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 18' ' ' VAL . . . . . 0.539 HG21 HD11 ' A' ' 16' ' ' LEU . 0.1 OUTLIER -72.99 -40.65 59.44 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.944 0 N-CA-C 112.928 0.714 . . . . 0.0 112.928 -179.989 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' B' B ' 19' ' ' CYS . . . . . . . . . . . . . 18.9 t -127.11 -36.79 2.13 Favored 'General case' 0 N--CA 1.473 0.676 0 N-CA-C 114.713 1.375 . . . . 0.0 114.713 -167.134 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . -75.37 -38.66 38.13 Favored Glycine 0 N--CA 1.476 1.346 0 O-C-N 121.529 -0.732 . . . . 0.0 113.218 -169.607 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 38.8 tt0 -63.07 -42.19 99.61 Favored 'General case' 0 CA--C 1.539 0.552 0 C-N-CA 124.842 1.257 . . . . 0.0 110.885 172.938 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 22' ' ' ARG . . . . . . . . . . . . . 72.4 mtp85 -65.65 -10.78 39.17 Favored 'General case' 0 CA--C 1.543 0.705 0 C-N-CA 124.454 1.102 . . . . 0.0 113.438 174.888 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . -74.79 -31.29 58.45 Favored Glycine 0 CA--C 1.529 0.939 0 C-N-CA 125.415 1.483 . . . . 0.0 113.637 175.856 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 24' ' ' HIS . . . . . . . . . . . . . 29.5 p80 -114.54 -21.12 10.45 Favored 'General case' 0 CA--C 1.548 0.869 0 N-CA-C 114.864 1.431 . . . . 0.0 114.864 177.229 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 25' ' ' PHE . . . . . . . . . . . . . 81.4 t80 -64.96 151.17 46.54 Favored 'General case' 0 CA--C 1.543 0.694 0 C-N-CA 124.021 0.928 . . . . 0.0 111.646 171.97 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 26' ' ' TYR . . . . . . . . . . . . . 52.8 t80 -66.37 148.75 51.41 Favored 'General case' 0 CA--C 1.543 0.679 0 N-CA-C 113.862 1.06 . . . . 0.0 113.862 -176.194 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 27' ' ' THR . . . . . . . . . . . . . 20.8 p -127.11 102.7 23.98 Favored Pre-proline 0 N--CA 1.473 0.698 0 C-N-CA 125.889 1.676 . . . . 0.0 109.466 176.329 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 28' ' ' PRO . . . . . . . . . . . . . 78.3 Cg_exo -59.37 162.57 14.28 Favored 'Trans proline' 0 C--N 1.351 0.676 0 C-N-CA 124.086 3.191 . . . . 0.0 114.34 177.452 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 43.0 tttm -68.29 139.62 55.94 Favored 'General case' 0 CA--C 1.55 0.954 0 C-N-CA 124.206 1.002 . . . . 0.0 112.49 179.348 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 30' ' ' THR . . . . . . . . . . . . . 6.0 t . . . . . 0 C--O 1.254 1.34 0 C-N-CA 125.25 1.42 . . . . 0.0 113.241 171.826 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.483 1.796 0 N-CA-C 112.286 -0.326 . . . . 0.0 112.286 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 6.8 tp -58.28 -35.42 53.42 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.239 0 C-N-CA 125.497 1.519 . . . . 0.0 113.909 -172.151 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 91.5 t -64.01 -33.66 63.66 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.008 0 C-N-CA 123.823 0.849 . . . . 0.0 111.113 176.928 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 29.6 tt0 -82.46 -3.34 55.58 Favored 'General case' 0 CA--C 1.549 0.911 0 C-N-CA 124.893 1.277 . . . . 0.0 112.579 175.875 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 8.6 tp-100 -96.57 -48.66 5.44 Favored 'General case' 0 CA--C 1.538 0.505 0 O-C-N 120.975 -1.078 . . . . 0.0 110.656 167.827 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 65.0 m -108.72 -26.79 10.15 Favored 'General case' 0 N--CA 1.47 0.557 0 N-CA-C 116.511 2.041 . . . . 0.0 116.511 -166.128 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 47.8 t -86.99 -35.24 18.93 Favored 'General case' 0 N--CA 1.478 0.97 0 CA-C-N 120.546 1.521 . . . . 0.0 113.255 179.885 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 5.2 t -79.37 -21.15 46.15 Favored 'General case' 0 N--CA 1.475 0.82 0 C-N-CA 125.017 1.327 . . . . 0.0 113.32 178.95 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 26.9 p -157.45 163.15 38.81 Favored 'General case' 0 CA--C 1.542 0.655 0 C-N-CA 125.302 1.441 . . . . 0.0 112.141 -171.658 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 20.6 mm -60.43 129.21 22.71 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.892 0 O-C-N 121.477 -0.764 . . . . 0.0 109.471 172.08 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 16.8 p -120.35 157.94 28.17 Favored 'General case' 0 N--CA 1.47 0.554 0 CA-C-O 121.852 0.834 . . . . 0.0 113.07 172.453 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 30.6 m -104.92 152.32 22.8 Favored 'General case' 0 CA--C 1.535 0.397 0 C-N-CA 124.973 1.309 . . . . 0.0 112.129 177.873 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . 0.527 ' H ' HD23 ' A' ' 13' ' ' LEU . 1.8 pt? -57.04 -41.84 79.38 Favored 'General case' 0 CA--C 1.531 0.215 0 C-N-CA 124.097 0.959 . . . . 0.0 112.256 -176.632 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 19.6 p90 -69.02 -15.85 63.57 Favored 'General case' 0 CA--C 1.535 0.394 0 C-N-CA 124.749 1.22 . . . . 0.0 114.048 -172.982 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 3.2 pt20 -109.53 -26.2 10.07 Favored 'General case' 0 C--O 1.224 -0.283 0 C-N-CA 123.85 0.86 . . . . 0.0 110.649 179.686 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -75.47 -30.67 60.0 Favored 'General case' 0 CA--C 1.548 0.884 0 CA-C-N 119.113 0.87 . . . . 0.0 111.541 176.141 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 23.6 mt-10 -53.18 -36.12 60.57 Favored 'General case' 0 N--CA 1.479 1.023 0 C-N-CA 124.41 1.084 . . . . 0.0 112.147 170.906 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 7.5 m-80 -64.21 -14.07 52.98 Favored 'General case' 0 CA--C 1.547 0.853 0 N-CA-C 113.395 0.887 . . . . 0.0 113.395 -176.026 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 88.7 m-85 -91.27 -5.28 54.97 Favored 'General case' 0 CA--C 1.544 0.746 0 C-N-CA 125.296 1.438 . . . . 0.0 113.386 174.689 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 15.4 t -72.96 -27.79 62.04 Favored 'General case' 0 CA--C 1.544 0.725 0 C-N-CA 124.328 1.051 . . . . 0.0 112.653 172.273 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 35.4 m120 . . . . . 0 C--O 1.253 1.279 0 C-N-CA 125.923 1.689 . . . . 0.0 113.021 179.318 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' B' B ' 1' ' ' PHE . . . . . . . . . . . . . 74.5 t80 . . . . . 0 N--CA 1.487 1.404 0 N-CA-C 110.712 -0.107 . . . . 0.0 110.712 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' B' B ' 2' ' ' VAL . . . . . . . . . . . . . 90.4 t -132.06 121.84 47.52 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.949 0 C-N-CA 124.967 1.307 . . . . 0.0 108.301 169.982 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 3' ' ' ASN . . . . . . . . . . . . . 8.6 m120 -61.84 113.97 3.07 Favored 'General case' 0 CA--C 1.537 0.459 0 C-N-CA 123.967 0.907 . . . . 0.0 110.026 172.486 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 4' ' ' GLN . . . . . . . . . . . . . 12.5 pt20 -156.91 178.74 10.01 Favored 'General case' 0 CA--C 1.532 0.287 0 C-N-CA 123.782 0.833 . . . . 0.0 111.185 -172.492 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 5' ' ' HIS . . . . . . . . . . . . . 73.7 m-70 -82.99 124.93 30.86 Favored 'General case' 0 CA--C 1.544 0.715 0 C-N-CA 123.954 0.902 . . . . 0.0 110.184 167.48 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 97.0 mt -125.16 124.37 41.64 Favored 'General case' 0 N--CA 1.466 0.364 0 C-N-CA 125.453 1.501 . . . . 0.0 110.185 -177.285 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 7' ' ' CYS . . . . . . . . . . . . . 65.2 m -139.28 150.47 45.49 Favored 'General case' 0 N--CA 1.469 0.508 0 C-N-CA 125.467 1.507 . . . . 0.0 110.307 -175.958 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 8' ' ' GLY . . . . . . . . . . . . . . . 57.93 -130.85 51.61 Favored Glycine 0 N--CA 1.471 0.981 0 C-N-CA 123.682 0.658 . . . . 0.0 112.402 174.478 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 9' ' ' SER . . . . . . . . . . . . . 22.5 m -54.05 -42.85 69.69 Favored 'General case' 0 N--CA 1.47 0.569 0 C-N-CA 124.148 0.979 . . . . 0.0 112.608 177.294 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 10' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -57.05 -35.91 69.89 Favored 'General case' 0 N--CA 1.475 0.793 0 C-N-CA 123.936 0.895 . . . . 0.0 112.627 -177.866 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 19.5 tp -71.6 -31.19 66.65 Favored 'General case' 0 CA--C 1.538 0.51 0 C-N-CA 124.73 1.212 . . . . 0.0 112.47 177.838 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 94.8 t -81.66 -36.81 14.76 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.967 0 C-N-CA 124.722 1.209 . . . . 0.0 109.558 -179.534 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 2.4 mt-10 -52.3 -52.58 52.17 Favored 'General case' 0 N--CA 1.451 -0.424 0 C-N-CA 125.711 1.604 . . . . 0.0 110.628 164.043 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 14' ' ' ALA . . . . . 0.497 ' O ' HG23 ' B' ' 18' ' ' VAL . . . -58.05 -52.22 66.43 Favored 'General case' 0 N--CA 1.451 -0.415 0 CA-C-O 117.968 -1.015 . . . . 0.0 111.451 179.597 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 3.7 mm? -54.39 -38.57 66.34 Favored 'General case' 0 N--CA 1.471 0.602 0 CA-C-N 119.54 1.064 . . . . 0.0 112.413 177.249 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 16' ' ' TYR . . . . . . . . . . . . . 79.3 t80 -63.37 -46.37 86.8 Favored 'General case' 0 CA--C 1.539 0.529 0 CA-C-N 119.09 0.859 . . . . 0.0 112.168 171.525 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 27.1 mt -64.53 -43.93 92.45 Favored 'General case' 0 CA--C 1.537 0.467 0 C-N-CA 124.514 1.126 . . . . 0.0 112.517 -178.012 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 18' ' ' VAL . . . . . 0.497 HG23 ' O ' ' B' ' 14' ' ' ALA . 0.0 OUTLIER -80.98 -43.34 20.66 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.202 0 CA-C-N 118.541 0.61 . . . . 0.0 112.157 -178.24 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' B' B ' 19' ' ' CYS . . . . . . . . . . . . . 24.2 t -102.34 -42.54 5.96 Favored 'General case' 0 CA--C 1.54 0.59 0 N-CA-C 113.733 1.012 . . . . 0.0 113.733 -170.224 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . -86.77 -47.12 4.92 Favored Glycine 0 N--CA 1.474 1.22 0 C-N-CA 124.144 0.878 . . . . 0.0 113.969 -167.339 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 37.1 tt0 -62.56 -35.96 81.13 Favored 'General case' 0 CA--C 1.539 0.529 0 C-N-CA 124.753 1.221 . . . . 0.0 111.807 -176.15 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 22' ' ' ARG . . . . . . . . . . . . . 30.1 mtm105 -61.91 -10.07 8.52 Favored 'General case' 0 CA--C 1.543 0.711 0 N-CA-C 114.06 1.133 . . . . 0.0 114.06 176.946 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . -70.44 -23.03 77.83 Favored Glycine 0 CA--C 1.531 1.06 0 C-N-CA 125.178 1.37 . . . . 0.0 114.084 171.099 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 24' ' ' HIS . . . . . . . . . . . . . 28.0 p80 -128.92 -23.19 3.11 Favored 'General case' 0 CA--C 1.549 0.926 0 N-CA-C 115.668 1.729 . . . . 0.0 115.668 177.625 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 25' ' ' PHE . . . . . . . . . . . . . 87.0 t80 -158.07 130.45 7.12 Favored 'General case' 0 CA--C 1.538 0.516 0 CA-C-N 119.473 1.033 . . . . 0.0 112.766 179.39 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 26' ' ' TYR . . . . . . . . . . . . . 41.2 t80 -148.83 153.27 37.86 Favored 'General case' 0 CA--C 1.543 0.688 0 C-N-CA 125.423 1.489 . . . . 0.0 111.689 175.19 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 27' ' ' THR . . . . . . . . . . . . . 23.2 p -115.8 90.7 27.94 Favored Pre-proline 0 N--CA 1.472 0.665 0 C-N-CA 126.259 1.824 . . . . 0.0 110.023 179.591 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 28' ' ' PRO . . . . . . . . . . . . . 91.3 Cg_endo -74.82 164.09 34.26 Favored 'Trans proline' 0 C--N 1.351 0.679 0 C-N-CA 123.515 2.81 . . . . 0.0 111.796 179.747 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 43.4 tttm -81.8 17.67 1.45 Allowed 'General case' 0 CA--C 1.553 1.086 0 C-N-CA 124.855 1.262 . . . . 0.0 113.913 -178.631 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 30' ' ' THR . . . . . . . . . . . . . 26.2 m . . . . . 0 C--O 1.252 1.213 0 C-N-CA 127.212 2.205 . . . . 0.0 112.521 -179.004 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.482 1.722 0 N-CA-C 112.607 -0.197 . . . . 0.0 112.607 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 7.9 tp -58.18 -34.52 49.85 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.17 0 C-N-CA 125.912 1.685 . . . . 0.0 113.964 -173.322 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 60.3 t -63.67 -32.34 56.5 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.987 0 C-N-CA 124.098 0.959 . . . . 0.0 111.118 176.792 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 40.2 mt-10 -81.24 5.79 16.04 Favored 'General case' 0 CA--C 1.546 0.803 0 C-N-CA 125.218 1.407 . . . . 0.0 112.368 175.42 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 18.9 mm-40 -110.94 -63.84 1.35 Allowed 'General case' 0 CA--C 1.534 0.354 0 C-N-CA 124.368 1.067 . . . . 0.0 110.224 164.212 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 86.9 m -83.65 -30.65 26.68 Favored 'General case' 0 N--CA 1.469 0.491 0 N-CA-C 115.394 1.627 . . . . 0.0 115.394 -167.93 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 25.4 t -83.76 -26.4 29.7 Favored 'General case' 0 N--CA 1.475 0.796 0 CA-C-N 119.577 1.08 . . . . 0.0 113.012 -179.336 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 8.4 t -85.08 -34.94 22.13 Favored 'General case' 0 N--CA 1.473 0.722 0 C-N-CA 124.661 1.184 . . . . 0.0 112.905 177.363 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 60.7 m -145.8 172.52 13.19 Favored 'General case' 0 CA--C 1.544 0.741 0 C-N-CA 124.898 1.279 . . . . 0.0 112.426 -172.493 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 21.9 mm -61.52 124.57 16.25 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.837 0 O-C-N 120.85 -1.156 . . . . 0.0 108.732 166.222 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 23.7 p -110.94 147.02 35.56 Favored 'General case' 0 N--CA 1.469 0.497 0 C-N-CA 123.392 0.677 . . . . 0.0 112.044 171.953 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 50.8 m -95.32 151.03 19.61 Favored 'General case' 0 N--CA 1.469 0.509 0 C-N-CA 123.878 0.871 . . . . 0.0 112.166 175.844 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . 0.588 ' H ' HD23 ' A' ' 13' ' ' LEU . 1.5 pt? -56.22 -43.04 78.17 Favored 'General case' 0 N--CA 1.462 0.156 0 C-N-CA 124.203 1.001 . . . . 0.0 111.754 -176.727 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 18.1 p90 -65.96 -15.1 62.69 Favored 'General case' 0 CA--C 1.538 0.482 0 N-CA-C 114.785 1.402 . . . . 0.0 114.785 -176.01 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 3.7 pt20 -112.17 -30.22 7.3 Favored 'General case' 0 N--CA 1.468 0.446 0 C-N-CA 123.741 0.816 . . . . 0.0 110.501 -178.953 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . 0.507 HD11 HG21 ' B' ' 18' ' ' VAL . 0.1 OUTLIER -68.21 -36.49 79.62 Favored 'General case' 0 CA--C 1.55 0.971 0 C-N-CA 123.77 0.828 . . . . 0.0 110.79 171.285 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 12.2 mt-10 -49.07 -36.69 19.04 Favored 'General case' 0 N--CA 1.479 0.999 0 C-N-CA 126.569 1.948 . . . . 0.0 112.596 173.504 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 5.0 m-80 -64.83 -19.43 65.85 Favored 'General case' 0 CA--C 1.543 0.678 0 N-CA-C 112.946 0.721 . . . . 0.0 112.946 -176.341 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 93.5 m-85 -87.21 -2.5 58.67 Favored 'General case' 0 CA--C 1.546 0.795 0 C-N-CA 125.117 1.367 . . . . 0.0 113.506 177.129 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 17.2 t -73.13 -26.85 61.38 Favored 'General case' 0 CA--C 1.544 0.726 0 C-N-CA 123.567 0.747 . . . . 0.0 112.703 168.869 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--O 1.251 1.155 0 C-N-CA 125.571 1.548 . . . . 0.0 112.424 178.429 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 1' ' ' PHE . . . . . . . . . . . . . 75.1 t80 . . . . . 0 N--CA 1.485 1.32 0 CA-C-O 119.787 -0.149 . . . . 0.0 110.793 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' B' B ' 2' ' ' VAL . . . . . . . . . . . . . 94.8 t -129.81 120.91 51.17 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.0 0 C-N-CA 125.115 1.366 . . . . 0.0 108.502 172.345 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 3' ' ' ASN . . . . . . . . . . . . . 55.8 m-20 -60.17 117.05 4.67 Favored 'General case' 0 CA--C 1.535 0.404 0 C-N-CA 123.477 0.711 . . . . 0.0 110.287 171.727 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 4' ' ' GLN . . . . . . . . . . . . . 10.5 pt20 -158.7 -177.72 6.73 Favored 'General case' 0 CA--C 1.533 0.324 0 C-N-CA 123.957 0.903 . . . . 0.0 110.847 -174.949 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 5' ' ' HIS . . . . . . . . . . . . . 83.4 m-70 -83.14 124.25 30.31 Favored 'General case' 0 CA--C 1.544 0.745 0 C-N-CA 124.004 0.922 . . . . 0.0 110.685 171.443 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 6' ' ' LEU . . . . . 0.511 HD13 ' HB2' ' B' ' 14' ' ' ALA . 77.6 mt -135.47 128.98 32.46 Favored 'General case' 0 N--CA 1.472 0.633 0 C-N-CA 125.275 1.43 . . . . 0.0 110.854 -173.106 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 7' ' ' CYS . . . . . . . . . . . . . 61.2 m -140.72 153.17 45.81 Favored 'General case' 0 N--CA 1.471 0.603 0 C-N-CA 125.903 1.681 . . . . 0.0 110.207 -176.372 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 8' ' ' GLY . . . . . . . . . . . . . . . 57.81 -131.54 52.1 Favored Glycine 0 N--CA 1.473 1.1 0 C-N-CA 123.745 0.688 . . . . 0.0 112.918 172.028 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 9' ' ' SER . . . . . . . . . . . . . 20.4 m -54.42 -42.52 70.6 Favored 'General case' 0 N--CA 1.472 0.642 0 C-N-CA 124.077 0.951 . . . . 0.0 112.376 176.986 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 10' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -57.75 -30.55 65.7 Favored 'General case' 0 N--CA 1.474 0.74 0 C-N-CA 123.931 0.892 . . . . 0.0 112.825 179.063 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 17.2 tp -79.5 -26.7 41.52 Favored 'General case' 0 CA--C 1.542 0.661 0 C-N-CA 124.678 1.191 . . . . 0.0 112.967 177.692 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 92.7 t -80.99 -34.01 13.47 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.199 0 C-N-CA 124.822 1.249 . . . . 0.0 109.813 176.158 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 2.4 mt-10 -52.5 -51.82 57.57 Favored 'General case' 0 N--CA 1.45 -0.455 0 C-N-CA 124.961 1.305 . . . . 0.0 110.584 158.998 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 14' ' ' ALA . . . . . 0.541 ' O ' HG22 ' B' ' 18' ' ' VAL . . . -53.63 -54.91 31.04 Favored 'General case' 0 CA--C 1.532 0.268 0 C-N-CA 123.581 0.752 . . . . 0.0 111.792 -178.974 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 4.1 mm? -55.86 -35.22 66.22 Favored 'General case' 0 N--CA 1.471 0.589 0 C-N-CA 123.462 0.705 . . . . 0.0 112.413 177.677 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 16' ' ' TYR . . . . . . . . . . . . . 84.9 t80 -65.55 -46.77 78.26 Favored 'General case' 0 CA--C 1.54 0.589 0 CA-C-N 119.272 0.942 . . . . 0.0 112.111 170.082 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 28.7 mt -64.34 -40.8 96.6 Favored 'General case' 0 N--CA 1.469 0.478 0 C-N-CA 124.028 0.931 . . . . 0.0 112.632 -175.389 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 18' ' ' VAL . . . . . 0.541 HG22 ' O ' ' B' ' 14' ' ' ALA . 0.0 OUTLIER -76.16 -51.14 20.66 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.037 0 C-N-CA 123.414 0.686 . . . . 0.0 112.789 172.942 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' B' B ' 19' ' ' CYS . . . . . . . . . . . . . 9.5 t -112.26 -33.6 6.17 Favored 'General case' 0 N--CA 1.475 0.782 0 N-CA-C 114.979 1.474 . . . . 0.0 114.979 -163.765 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . -84.73 -35.85 12.71 Favored Glycine 0 N--CA 1.477 1.399 0 O-C-N 121.418 -0.801 . . . . 0.0 113.719 -172.359 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 36.4 tt0 -65.03 -17.7 64.67 Favored 'General case' 0 CA--C 1.547 0.857 0 C-N-CA 126.433 1.893 . . . . 0.0 112.203 176.047 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 22' ' ' ARG . . . . . . . . . . . . . 13.8 mmp_? -68.11 -18.67 64.71 Favored 'General case' 0 CA--C 1.545 0.755 0 C-N-CA 124.875 1.27 . . . . 0.0 112.762 171.739 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . -82.22 179.77 53.1 Favored Glycine 0 CA--C 1.532 1.128 0 C-N-CA 125.82 1.676 . . . . 0.0 113.471 179.42 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 24' ' ' HIS . . . . . . . . . . . . . 27.3 p80 -75.95 -17.49 59.71 Favored 'General case' 0 CA--C 1.55 0.944 0 N-CA-C 115.325 1.602 . . . . 0.0 115.325 -173.41 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 25' ' ' PHE . . . . . . . . . . . . . 60.9 t80 -162.03 159.42 26.31 Favored 'General case' 0 CA--C 1.544 0.723 0 C-N-CA 124.861 1.264 . . . . 0.0 112.707 -172.239 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 26' ' ' TYR . . . . . . . . . . . . . 57.8 t80 -62.31 157.12 20.47 Favored 'General case' 0 CA--C 1.546 0.791 0 C-N-CA 126.264 1.826 . . . . 0.0 113.699 175.463 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 27' ' ' THR . . . . . . . . . . . . . 24.9 p -128.35 124.12 22.74 Favored Pre-proline 0 N--CA 1.474 0.775 0 C-N-CA 124.543 1.137 . . . . 0.0 109.61 166.683 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 28' ' ' PRO . . . . . . . . . . . . . 67.3 Cg_endo -79.88 151.06 21.35 Favored 'Trans proline' 0 C--N 1.349 0.575 0 C-N-CA 123.154 2.569 . . . . 0.0 111.063 179.742 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 13.9 mptt -109.18 154.58 22.16 Favored 'General case' 0 CA--C 1.546 0.789 0 C-N-CA 125.27 1.428 . . . . 0.0 111.871 -176.739 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 30' ' ' THR . . . . . . . . . . . . . 12.9 t . . . . . 0 C--O 1.254 1.329 0 C-N-CA 125.278 1.431 . . . . 0.0 112.773 178.039 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.484 1.873 0 N-CA-C 112.463 -0.255 . . . . 0.0 112.463 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 7.8 tp -57.86 -36.1 54.23 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.159 0 C-N-CA 125.546 1.538 . . . . 0.0 113.845 -172.89 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 93.5 t -62.6 -33.88 62.09 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.983 0 C-N-CA 123.691 0.796 . . . . 0.0 111.175 176.885 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 41.0 mt-10 -79.01 -8.56 59.04 Favored 'General case' 0 CA--C 1.542 0.661 0 C-N-CA 124.035 0.934 . . . . 0.0 112.589 177.0 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 29.6 mm100 -91.94 -50.62 5.62 Favored 'General case' 0 CA--C 1.535 0.372 0 O-C-N 121.532 -0.73 . . . . 0.0 110.813 168.04 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 98.9 m -99.78 -28.32 13.21 Favored 'General case' 0 N--CA 1.472 0.673 0 N-CA-C 116.381 1.993 . . . . 0.0 116.381 -166.264 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 49.7 t -83.85 -40.65 18.4 Favored 'General case' 0 N--CA 1.477 0.917 0 N-CA-C 113.934 1.087 . . . . 0.0 113.934 -177.994 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 6.6 t -74.79 -31.56 61.77 Favored 'General case' 0 N--CA 1.478 0.972 0 C-N-CA 124.554 1.141 . . . . 0.0 112.941 -177.89 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 74.7 m -156.19 172.65 18.08 Favored 'General case' 0 N--CA 1.469 0.485 0 C-N-CA 128.019 2.528 . . . . 0.0 109.15 -173.611 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 31.4 mt -75.85 125.63 35.72 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.455 0 O-C-N 121.198 -0.939 . . . . 0.0 111.121 -179.691 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 28.9 p -98.11 169.8 9.36 Favored 'General case' 0 CA--C 1.537 0.467 0 C-N-CA 124.587 1.155 . . . . 0.0 112.164 171.813 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 72.3 m -127.66 151.95 48.31 Favored 'General case' 0 C--O 1.236 0.358 0 C-N-CA 124.586 1.154 . . . . 0.0 111.68 -178.598 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . 0.558 ' H ' HD23 ' A' ' 13' ' ' LEU . 1.4 pt? -53.92 -42.73 69.09 Favored 'General case' 0 N--CA 1.463 0.196 0 C-N-CA 124.57 1.148 . . . . 0.0 111.915 -172.733 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 21.4 p90 -65.97 -14.47 61.65 Favored 'General case' 0 CA--C 1.537 0.45 0 N-CA-C 114.769 1.396 . . . . 0.0 114.769 -175.017 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 6.8 pt20 -117.27 -30.83 5.49 Favored 'General case' 0 N--CA 1.466 0.328 0 C-N-CA 123.365 0.666 . . . . 0.0 110.978 -178.986 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . 0.445 HD11 HG21 ' B' ' 18' ' ' VAL . 0.2 OUTLIER -69.75 -34.95 74.51 Favored 'General case' 0 CA--C 1.549 0.915 0 C-N-CA 123.687 0.795 . . . . 0.0 111.07 176.826 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 15.2 mt-10 -48.78 -36.86 17.53 Favored 'General case' 0 N--CA 1.48 1.032 0 C-N-CA 126.048 1.739 . . . . 0.0 112.222 170.289 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 1.7 t-20 -58.73 -27.98 65.41 Favored 'General case' 0 CA--C 1.542 0.656 0 C-N-CA 124.387 1.075 . . . . 0.0 113.072 -176.312 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 88.9 m-85 -85.07 -3.37 58.77 Favored 'General case' 0 CA--C 1.543 0.707 0 C-N-CA 125.798 1.639 . . . . 0.0 113.608 -179.48 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 14.8 t -72.84 -26.83 61.61 Favored 'General case' 0 CA--C 1.545 0.779 0 C-N-CA 123.622 0.769 . . . . 0.0 112.755 171.455 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 24.5 t-20 . . . . . 0 C--O 1.253 1.247 0 C-N-CA 125.643 1.577 . . . . 0.0 113.017 178.503 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' B' B ' 1' ' ' PHE . . . . . . . . . . . . . 67.1 t80 . . . . . 0 N--CA 1.487 1.415 0 CA-C-O 119.561 -0.257 . . . . 0.0 110.832 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' B' B ' 2' ' ' VAL . . . . . . . . . . . . . 71.7 t -125.14 118.89 54.21 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.929 0 C-N-CA 124.907 1.283 . . . . 0.0 108.647 173.211 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 3' ' ' ASN . . . . . . . . . . . . . 9.4 m120 -70.18 105.11 2.82 Favored 'General case' 0 CA--C 1.542 0.664 0 C-N-CA 123.624 0.77 . . . . 0.0 110.188 173.149 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 4' ' ' GLN . . . . . . . . . . . . . 28.4 pt20 -160.79 -177.81 6.41 Favored 'General case' 0 CA--C 1.538 0.5 0 C-N-CA 125.985 1.714 . . . . 0.0 110.406 -179.189 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 5' ' ' HIS . . . . . . . . . . . . . 69.6 m-70 -84.46 124.8 31.75 Favored 'General case' 0 CA--C 1.544 0.718 0 C-N-CA 124.033 0.933 . . . . 0.0 110.853 179.476 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 6' ' ' LEU . . . . . 0.482 HD13 ' HB2' ' B' ' 14' ' ' ALA . 72.5 mt -136.99 134.35 36.55 Favored 'General case' 0 N--CA 1.473 0.707 0 C-N-CA 125.739 1.616 . . . . 0.0 109.645 -173.596 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 7' ' ' CYS . . . . . . . . . . . . . 3.0 t -140.16 -50.66 0.48 Allowed 'General case' 0 N--CA 1.48 1.039 0 N-CA-C 116.55 2.056 . . . . 0.0 116.55 -167.626 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 8' ' ' GLY . . . . . . . . . . . . . . . -103.42 -123.59 5.3 Favored Glycine 0 CA--C 1.526 0.747 0 C-N-CA 124.045 0.831 . . . . 0.0 111.791 -173.595 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 9' ' ' SER . . . . . . . . . . . . . 21.5 t -52.5 -39.01 60.79 Favored 'General case' 0 N--CA 1.476 0.855 0 CA-C-N 117.758 0.779 . . . . 0.0 111.345 169.562 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 10' ' ' HIS . . . . . . . . . . . . . 9.3 m-70 -50.22 -31.97 15.29 Favored 'General case' 0 CA--C 1.545 0.774 0 C-N-CA 125.228 1.411 . . . . 0.0 114.728 173.358 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 18.1 tp -83.97 -24.18 30.74 Favored 'General case' 0 CA--C 1.541 0.615 0 C-N-CA 124.498 1.119 . . . . 0.0 113.007 178.479 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 98.6 t -80.86 -35.97 15.06 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.034 0 C-N-CA 125.018 1.327 . . . . 0.0 109.405 175.066 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 2.4 mm-40 -52.78 -49.55 65.35 Favored 'General case' 0 N--CA 1.45 -0.464 0 C-N-CA 125.766 1.627 . . . . 0.0 110.61 159.707 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 14' ' ' ALA . . . . . 0.503 ' O ' HG22 ' B' ' 18' ' ' VAL . . . -52.55 -56.57 14.32 Favored 'General case' 0 CA--C 1.534 0.338 0 CA-C-N 119.353 0.979 . . . . 0.0 111.075 178.591 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 4.0 mm? -55.12 -35.08 64.3 Favored 'General case' 0 N--CA 1.471 0.578 0 C-N-CA 123.619 0.767 . . . . 0.0 112.971 177.946 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 16' ' ' TYR . . . . . . . . . . . . . 88.5 t80 -66.9 -45.57 77.58 Favored 'General case' 0 CA--C 1.541 0.603 0 CA-C-N 119.699 1.136 . . . . 0.0 112.606 171.632 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 41.4 mt -66.11 -36.47 83.24 Favored 'General case' 0 N--CA 1.469 0.502 0 C-N-CA 124.962 1.305 . . . . 0.0 112.569 -176.316 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 18' ' ' VAL . . . . . 0.503 HG22 ' O ' ' B' ' 14' ' ' ALA . 0.0 OUTLIER -82.22 -63.29 1.21 Allowed 'Isoleucine or valine' 0 N--CA 1.478 0.957 0 C-N-CA 123.408 0.683 . . . . 0.0 112.4 170.829 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' B' B ' 19' ' ' CYS . . . . . . . . . . . . . 10.9 t -88.57 -24.83 22.76 Favored 'General case' 0 N--CA 1.471 0.592 0 N-CA-C 113.979 1.103 . . . . 0.0 113.979 -161.835 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . -89.57 -55.18 2.09 Favored Glycine 0 N--CA 1.47 0.917 0 C-N-CA 124.441 1.019 . . . . 0.0 111.866 178.508 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 6.4 mm-40 -69.79 -18.05 63.45 Favored 'General case' 0 CA--C 1.542 0.657 0 C-N-CA 125.145 1.378 . . . . 0.0 114.189 -173.514 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 22' ' ' ARG . . . . . . . . . . . . . 41.6 ptt180 -61.56 -36.29 80.2 Favored 'General case' 0 N--CA 1.474 0.729 0 O-C-N 121.289 -0.882 . . . . 0.0 112.267 171.369 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . 70.3 -178.42 30.83 Favored Glycine 0 CA--C 1.532 1.142 0 C-N-CA 125.815 1.674 . . . . 0.0 114.368 177.164 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 24' ' ' HIS . . . . . . . . . . . . . 29.3 m170 -78.56 143.35 36.58 Favored 'General case' 0 CA--C 1.545 0.761 0 C-N-CA 123.567 0.747 . . . . 0.0 110.729 165.244 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 25' ' ' PHE . . . . . . . . . . . . . 12.6 m-85 65.22 -174.78 0.18 Allowed 'General case' 0 N--CA 1.478 0.928 0 C-N-CA 125.224 1.409 . . . . 0.0 111.166 -173.451 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 26' ' ' TYR . . . . . . . . . . . . . 38.1 t80 -78.84 140.32 38.2 Favored 'General case' 0 CA--C 1.538 0.491 0 O-C-N 121.694 -0.629 . . . . 0.0 110.62 147.513 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 27' ' ' THR . . . . . . . . . . . . . 19.8 p -133.73 112.94 12.75 Favored Pre-proline 0 N--CA 1.471 0.617 0 C-N-CA 125.613 1.565 . . . . 0.0 107.889 173.719 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 28' ' ' PRO . . . . . . . . . . . . . 89.8 Cg_exo -58.23 136.98 78.16 Favored 'Trans proline' 0 C--N 1.351 0.706 0 C-N-CA 123.426 2.75 . . . . 0.0 114.102 -177.421 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 25.9 pttt -173.34 162.04 4.28 Favored 'General case' 0 CA--C 1.546 0.797 0 C-N-CA 127.118 2.167 . . . . 0.0 112.766 -168.473 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 30' ' ' THR . . . . . . . . . . . . . 32.8 m . . . . . 0 C--O 1.253 1.24 0 C-N-CA 125.994 1.717 . . . . 0.0 110.962 -175.837 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.657 0 CA-C-O 121.054 0.252 . . . . 0.0 112.479 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 8.3 tp -60.3 -36.62 69.94 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.159 0 C-N-CA 125.314 1.446 . . . . 0.0 113.809 -171.874 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 77.2 t -62.57 -34.66 66.24 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.047 0 C-N-CA 123.908 0.883 . . . . 0.0 110.874 177.33 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 42.2 mt-10 -77.66 -1.03 28.96 Favored 'General case' 0 CA--C 1.544 0.746 0 C-N-CA 124.66 1.184 . . . . 0.0 112.592 176.66 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 13.7 mm-40 -109.22 -43.74 4.09 Favored 'General case' 0 CA--C 1.534 0.331 0 O-C-N 121.058 -1.027 . . . . 0.0 112.462 170.235 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 92.5 m -103.6 -26.2 12.89 Favored 'General case' 0 N--CA 1.473 0.707 0 N-CA-C 115.787 1.773 . . . . 0.0 115.787 -169.56 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 43.4 t -86.69 -32.25 20.59 Favored 'General case' 0 N--CA 1.479 0.979 0 N-CA-C 113.476 0.917 . . . . 0.0 113.476 179.275 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 6.0 t -74.86 -33.03 62.04 Favored 'General case' 0 N--CA 1.476 0.869 0 C-N-CA 124.824 1.25 . . . . 0.0 112.842 178.501 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 85.4 p -168.27 178.59 4.87 Favored 'General case' 0 CA--C 1.538 0.482 0 C-N-CA 127.048 2.139 . . . . 0.0 110.379 -172.737 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 12.0 mt -76.37 125.94 36.58 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.455 0 O-C-N 121.055 -1.028 . . . . 0.0 111.965 -173.733 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 29.8 p -104.89 152.73 22.29 Favored 'General case' 0 CA--C 1.538 0.502 0 C-N-CA 125.205 1.402 . . . . 0.0 111.522 171.678 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 50.9 m -96.04 151.38 19.5 Favored 'General case' 0 N--CA 1.472 0.648 0 C-N-CA 123.704 0.801 . . . . 0.0 112.277 175.69 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . 0.564 ' H ' HD23 ' A' ' 13' ' ' LEU . 1.7 pt? -57.08 -41.33 78.65 Favored 'General case' 0 N--CA 1.465 0.321 0 C-N-CA 123.749 0.82 . . . . 0.0 111.874 -176.841 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 15.1 p90 -67.28 -11.32 57.22 Favored 'General case' 0 CA--C 1.536 0.424 0 N-CA-C 114.893 1.442 . . . . 0.0 114.893 -176.291 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 3.8 pt20 -117.0 -31.95 5.22 Favored 'General case' 0 N--CA 1.464 0.249 0 C-N-CA 123.94 0.896 . . . . 0.0 110.555 179.473 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . 0.534 HD11 HG21 ' B' ' 18' ' ' VAL . 0.2 OUTLIER -65.92 -34.0 77.11 Favored 'General case' 0 CA--C 1.548 0.87 0 CA-C-N 119.472 1.033 . . . . 0.0 110.93 173.37 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 13.6 mt-10 -46.4 -36.63 6.67 Favored 'General case' 0 N--CA 1.477 0.891 0 C-N-CA 126.271 1.828 . . . . 0.0 112.705 171.138 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 91.9 m-20 -62.75 -25.4 68.18 Favored 'General case' 0 CA--C 1.541 0.623 0 C-N-CA 124.365 1.066 . . . . 0.0 112.814 -174.951 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 83.4 m-85 -86.52 -3.56 59.04 Favored 'General case' 0 CA--C 1.542 0.673 0 C-N-CA 125.905 1.682 . . . . 0.0 113.369 -177.543 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 22.8 t -72.01 -27.17 62.55 Favored 'General case' 0 CA--C 1.545 0.765 0 C-N-CA 123.686 0.794 . . . . 0.0 112.698 169.318 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--O 1.252 1.218 0 C-N-CA 125.551 1.541 . . . . 0.0 112.435 178.617 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 1' ' ' PHE . . . . . . . . . . . . . 49.1 t80 . . . . . 0 N--CA 1.486 1.361 0 CA-C-O 119.586 -0.245 . . . . 0.0 110.633 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' B' B ' 2' ' ' VAL . . . . . . . . . . . . . 21.8 m -131.62 134.06 60.9 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.96 0 C-N-CA 124.244 1.018 . . . . 0.0 109.575 164.451 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 3' ' ' ASN . . . . . . . . . . . . . 73.1 m-20 -64.28 125.3 24.13 Favored 'General case' 0 CA--C 1.538 0.505 0 N-CA-C 109.424 -0.584 . . . . 0.0 109.424 169.439 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 4' ' ' GLN . . . . . . . . . . . . . 24.6 pt20 -161.31 -179.25 7.26 Favored 'General case' 0 CA--C 1.535 0.39 0 C-N-CA 125.036 1.334 . . . . 0.0 110.247 -170.36 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 5' ' ' HIS . . . . . . . . . . . . . 83.5 m-70 -85.1 129.88 34.72 Favored 'General case' 0 CA--C 1.541 0.632 0 C-N-CA 123.821 0.849 . . . . 0.0 110.697 172.864 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 75.6 mt -138.62 130.94 28.63 Favored 'General case' 0 N--CA 1.47 0.564 0 C-N-CA 124.577 1.151 . . . . 0.0 111.188 -171.428 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 7' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -153.46 146.76 24.78 Favored 'General case' 0 N--CA 1.468 0.46 0 C-N-CA 123.588 0.755 . . . . 0.0 111.231 179.517 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 8' ' ' GLY . . . . . . . . . . . . . . . 57.37 -124.45 35.96 Favored Glycine 0 CA--C 1.532 1.102 0 C-N-CA 124.056 0.836 . . . . 0.0 112.704 179.233 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 9' ' ' SER . . . . . . . . . . . . . 8.8 t -55.84 -38.93 70.72 Favored 'General case' 0 N--CA 1.472 0.648 0 C-N-CA 123.899 0.88 . . . . 0.0 112.621 178.57 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 10' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -63.03 -35.22 79.49 Favored 'General case' 0 N--CA 1.473 0.692 0 O-C-N 120.763 -1.21 . . . . 0.0 112.483 175.991 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 15.6 tp -74.19 -41.0 62.13 Favored 'General case' 0 CA--C 1.538 0.487 0 C-N-CA 124.042 0.937 . . . . 0.0 111.159 178.41 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 95.0 t -60.11 -41.82 87.85 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.166 0 C-N-CA 124.025 0.93 . . . . 0.0 111.345 170.215 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 22.2 mt-10 -58.94 -49.61 77.19 Favored 'General case' 0 CA--C 1.533 0.299 0 C-N-CA 123.252 0.621 . . . . 0.0 111.511 171.698 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 14' ' ' ALA . . . . . 0.554 ' O ' HG22 ' B' ' 18' ' ' VAL . . . -58.39 -46.76 85.74 Favored 'General case' 0 CA--C 1.534 0.333 0 CA-C-N 119.822 1.192 . . . . 0.0 112.527 178.051 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 3.9 mm? -56.43 -34.48 66.84 Favored 'General case' 0 N--CA 1.471 0.613 0 C-N-CA 123.598 0.759 . . . . 0.0 112.142 175.827 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 16' ' ' TYR . . . . . . . . . . . . . 79.0 t80 -65.27 -46.01 82.21 Favored 'General case' 0 CA--C 1.539 0.544 0 O-C-N 121.309 -0.87 . . . . 0.0 112.162 169.373 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 82.1 mt -62.93 -45.76 90.97 Favored 'General case' 0 N--CA 1.471 0.575 0 CA-C-N 119.237 0.926 . . . . 0.0 112.574 -179.259 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 18' ' ' VAL . . . . . 0.554 HG22 ' O ' ' B' ' 14' ' ' ALA . 0.0 OUTLIER -73.33 -44.71 54.45 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.952 0 N-CA-C 112.815 0.672 . . . . 0.0 112.815 178.028 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' B' B ' 19' ' ' CYS . . . . . . . . . . . . . 11.3 t -122.43 -26.85 4.53 Favored 'General case' 0 N--CA 1.477 0.882 0 N-CA-C 115.567 1.691 . . . . 0.0 115.567 -165.125 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . -83.0 -45.36 6.69 Favored Glycine 0 N--CA 1.475 1.263 0 O-C-N 121.342 -0.849 . . . . 0.0 113.19 -176.632 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 36.2 tt0 -62.14 -37.29 84.63 Favored 'General case' 0 CA--C 1.54 0.591 0 C-N-CA 124.563 1.145 . . . . 0.0 112.184 -176.066 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 22' ' ' ARG . . . . . . . . . . . . . 4.1 ptp180 -64.5 -21.31 66.64 Favored 'General case' 0 N--CA 1.474 0.774 0 N-CA-C 113.877 1.066 . . . . 0.0 113.877 174.937 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . -88.69 -34.67 8.98 Favored Glycine 0 N--CA 1.472 1.061 0 C-N-CA 125.191 1.376 . . . . 0.0 112.748 173.949 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 24' ' ' HIS . . . . . . . . . . . . . 9.3 m-70 -73.76 -29.16 62.06 Favored 'General case' 0 CA--C 1.549 0.925 0 C-N-CA 124.654 1.182 . . . . 0.0 113.211 175.836 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 25' ' ' PHE . . . . . . . . . . . . . 77.3 t80 -63.51 146.44 53.64 Favored 'General case' 0 CA--C 1.542 0.64 0 C-N-CA 125.319 1.448 . . . . 0.0 112.495 176.966 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 26' ' ' TYR . . . . . . . . . . . . . 65.7 t80 -147.82 153.46 39.19 Favored 'General case' 0 CA--C 1.543 0.692 0 C-N-CA 126.023 1.729 . . . . 0.0 111.71 -178.674 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 27' ' ' THR . . . . . . . . . . . . . 21.2 p -120.48 99.06 48.11 Favored Pre-proline 0 N--CA 1.475 0.808 0 C-N-CA 125.95 1.7 . . . . 0.0 110.218 178.162 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 28' ' ' PRO . . . . . . . . . . . . . 72.3 Cg_exo -59.89 163.94 12.87 Favored 'Trans proline' 0 C--N 1.35 0.652 0 C-N-CA 124.145 3.23 . . . . 0.0 114.248 174.902 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 20.1 tptm -82.66 6.81 16.61 Favored 'General case' 0 CA--C 1.551 0.99 0 C-N-CA 124.958 1.303 . . . . 0.0 114.014 -179.968 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 30' ' ' THR . . . . . . . . . . . . . 25.0 m . . . . . 0 C--O 1.252 1.226 0 C-N-CA 127.661 2.384 . . . . 0.0 112.581 -178.203 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.483 1.807 0 N-CA-C 112.034 -0.426 . . . . 0.0 112.034 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 6.4 tp -58.3 -33.98 48.89 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.275 0 C-N-CA 125.634 1.573 . . . . 0.0 114.103 -171.995 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 92.7 t -62.69 -34.76 67.2 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.963 0 O-C-N 121.469 -0.769 . . . . 0.0 111.083 176.82 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 33.8 mm-40 -79.58 0.24 30.78 Favored 'General case' 0 CA--C 1.545 0.766 0 C-N-CA 123.855 0.862 . . . . 0.0 112.953 176.347 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 7.1 tp-100 -100.73 -55.17 2.65 Favored 'General case' 0 CA--C 1.538 0.509 0 C-N-CA 124.479 1.111 . . . . 0.0 109.89 168.289 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 58.6 m -92.46 -32.01 15.06 Favored 'General case' 0 N--CA 1.469 0.503 0 N-CA-C 115.86 1.8 . . . . 0.0 115.86 -168.435 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 17.8 t -76.46 -29.61 57.0 Favored 'General case' 0 N--CA 1.477 0.908 0 CA-C-N 119.472 1.033 . . . . 0.0 113.104 -179.137 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 7.3 t -87.22 -30.3 21.07 Favored 'General case' 0 N--CA 1.475 0.816 0 C-N-CA 125.151 1.38 . . . . 0.0 113.498 -177.331 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 72.1 m -150.37 170.31 19.34 Favored 'General case' 0 N--CA 1.473 0.697 0 C-N-CA 125.067 1.347 . . . . 0.0 112.057 -170.853 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 25.7 mm -55.96 129.05 17.05 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.836 0 O-C-N 121.332 -0.855 . . . . 0.0 109.762 169.138 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 15.9 p -124.25 152.51 42.9 Favored 'General case' 0 CA--C 1.536 0.436 0 CA-C-O 121.702 0.763 . . . . 0.0 112.316 168.099 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 26.4 m -116.81 153.14 32.98 Favored 'General case' 0 N--CA 1.47 0.548 0 C-N-CA 124.694 1.198 . . . . 0.0 112.2 -175.976 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . 0.508 ' H ' HD23 ' A' ' 13' ' ' LEU . 1.9 pt? -57.65 -40.88 80.32 Favored 'General case' 0 CA--C 1.53 0.193 0 O-C-N 121.449 -0.782 . . . . 0.0 111.898 -173.276 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 21.0 p90 -68.2 -12.86 61.68 Favored 'General case' 0 CA--C 1.536 0.435 0 C-N-CA 125.092 1.357 . . . . 0.0 114.35 -174.234 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 3.9 pt20 -116.77 -24.63 7.62 Favored 'General case' 0 C--O 1.222 -0.344 0 C-N-CA 124.445 1.098 . . . . 0.0 111.175 178.949 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . 0.463 HD11 HG21 ' B' ' 18' ' ' VAL . 0.2 OUTLIER -77.48 -26.8 51.63 Favored 'General case' 0 CA--C 1.547 0.863 0 CA-C-N 119.439 1.018 . . . . 0.0 111.613 174.473 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 22.0 mt-10 -52.76 -28.43 22.25 Favored 'General case' 0 N--CA 1.48 1.044 0 C-N-CA 124.493 1.117 . . . . 0.0 112.361 166.886 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 76.6 m-20 -61.7 -27.06 68.44 Favored 'General case' 0 CA--C 1.541 0.626 0 C-N-CA 123.215 0.606 . . . . 0.0 112.168 -177.166 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 67.8 m-85 -85.98 1.68 49.21 Favored 'General case' 0 CA--C 1.548 0.866 0 C-N-CA 126.625 1.97 . . . . 0.0 112.91 -179.674 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 18.8 t -68.97 -24.61 64.26 Favored 'General case' 0 CA--C 1.546 0.791 0 C-N-CA 125.366 1.466 . . . . 0.0 112.955 169.317 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 68.3 m-80 . . . . . 0 C--O 1.252 1.202 0 C-N-CA 125.744 1.618 . . . . 0.0 112.822 178.061 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' B' B ' 1' ' ' PHE . . . . . . . . . . . . . 42.1 t80 . . . . . 0 N--CA 1.487 1.382 0 CA-C-O 119.775 -0.155 . . . . 0.0 110.61 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' B' B ' 2' ' ' VAL . . . . . . . . . . . . . 89.8 t -130.14 124.23 57.68 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.043 0 C-N-CA 124.958 1.303 . . . . 0.0 108.459 171.306 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 3' ' ' ASN . . . . . . . . . . . . . 70.9 m-20 -69.33 118.29 12.03 Favored 'General case' 0 CA--C 1.535 0.399 0 C-N-CA 123.352 0.661 . . . . 0.0 109.522 175.995 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 4' ' ' GLN . . . . . . . . . . . . . 14.4 pt20 -159.89 178.82 9.36 Favored 'General case' 0 CA--C 1.535 0.371 0 C-N-CA 123.31 0.644 . . . . 0.0 111.658 -165.861 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 5' ' ' HIS . . . . . . . . . . . . . 66.6 m-70 -80.06 125.98 30.47 Favored 'General case' 0 CA--C 1.544 0.742 0 C-N-CA 123.822 0.849 . . . . 0.0 109.811 167.141 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 96.0 mt -128.28 132.26 48.71 Favored 'General case' 0 N--CA 1.471 0.588 0 C-N-CA 124.595 1.158 . . . . 0.0 110.561 -178.505 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 7' ' ' CYS . . . . . . . . . . . . . 2.4 t -160.87 154.17 21.73 Favored 'General case' 0 N--CA 1.468 0.464 0 C-N-CA 124.237 1.015 . . . . 0.0 111.428 -177.263 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 8' ' ' GLY . . . . . . . . . . . . . . . 62.88 -137.83 44.14 Favored Glycine 0 CA--C 1.528 0.892 0 N-CA-C 111.22 -0.752 . . . . 0.0 111.22 -174.156 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 9' ' ' SER . . . . . . . . . . . . . 22.2 m -54.41 -40.95 68.76 Favored 'General case' 0 N--CA 1.472 0.626 0 C-N-CA 124.143 0.977 . . . . 0.0 112.763 177.946 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 10' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -55.23 -37.43 67.15 Favored 'General case' 0 N--CA 1.474 0.736 0 C-N-CA 124.23 1.012 . . . . 0.0 113.039 -178.168 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 18.6 tp -70.47 -33.08 70.85 Favored 'General case' 0 CA--C 1.537 0.451 0 C-N-CA 124.612 1.165 . . . . 0.0 112.209 176.863 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 87.3 t -80.67 -35.82 15.25 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.831 0 C-N-CA 124.355 1.062 . . . . 0.0 109.398 -176.782 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 2.4 mt-10 -53.29 -54.69 32.63 Favored 'General case' 0 N--CA 1.451 -0.394 0 C-N-CA 125.617 1.567 . . . . 0.0 110.576 163.553 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -58.26 -50.43 73.59 Favored 'General case' 0 N--CA 1.454 -0.268 0 CA-C-O 118.503 -0.76 . . . . 0.0 111.642 -179.793 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 4.1 mm? -58.04 -36.82 73.28 Favored 'General case' 0 N--CA 1.466 0.374 0 CA-C-N 119.442 1.019 . . . . 0.0 111.97 176.807 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 16' ' ' TYR . . . . . . . . . . . . . 86.9 t80 -62.28 -41.08 98.18 Favored 'General case' 0 N--CA 1.469 0.521 0 CA-C-N 120.636 1.562 . . . . 0.0 112.304 170.804 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 19.3 mt -71.17 -41.0 70.92 Favored 'General case' 0 CA--C 1.54 0.576 0 C-N-CA 124.184 0.993 . . . . 0.0 112.766 -176.788 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 18' ' ' VAL . . . . . 0.463 HG21 HD11 ' A' ' 16' ' ' LEU . 0.0 OUTLIER -91.16 -39.75 11.99 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.473 0 N-CA-C 113.323 0.86 . . . . 0.0 113.323 -179.491 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' B' B ' 19' ' ' CYS . . . . . . . . . . . . . 41.8 t -101.1 -44.79 5.59 Favored 'General case' 0 N--CA 1.472 0.663 0 C-N-CA 123.872 0.869 . . . . 0.0 112.3 -175.919 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . -73.55 -32.17 59.92 Favored Glycine 0 N--CA 1.474 1.226 0 CA-C-N 118.625 0.648 . . . . 0.0 113.479 -172.517 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 30.8 tt0 -68.07 -23.0 64.9 Favored 'General case' 0 CA--C 1.544 0.743 0 C-N-CA 124.708 1.203 . . . . 0.0 112.368 174.045 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 22' ' ' ARG . . . . . . . . . . . . . 76.5 mtp180 -93.15 -49.69 5.87 Favored 'General case' 0 N--CA 1.471 0.599 0 C-N-CA 124.884 1.274 . . . . 0.0 112.414 176.174 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . -100.33 97.42 1.73 Allowed Glycine 0 N--CA 1.47 0.946 0 C-N-CA 125.635 1.588 . . . . 0.0 111.627 -178.166 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 24' ' ' HIS . . . . . . . . . . . . . 17.1 m170 -80.71 -16.83 52.9 Favored 'General case' 0 CA--C 1.548 0.892 0 N-CA-C 114.296 1.221 . . . . 0.0 114.296 -172.666 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 25' ' ' PHE . . . . . . . . . . . . . 72.0 t80 -163.13 155.24 18.11 Favored 'General case' 0 CA--C 1.54 0.569 0 C-N-CA 126.532 1.933 . . . . 0.0 110.981 -176.661 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 26' ' ' TYR . . . . . . . . . . . . . 71.1 t80 -143.72 148.44 35.69 Favored 'General case' 0 CA--C 1.541 0.62 0 C-N-CA 125.578 1.551 . . . . 0.0 112.085 -179.635 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 27' ' ' THR . . . . . . . . . . . . . 26.1 p -117.46 112.41 39.26 Favored Pre-proline 0 N--CA 1.474 0.752 0 C-N-CA 125.873 1.669 . . . . 0.0 109.677 176.831 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 28' ' ' PRO . . . . . . . . . . . . . 93.3 Cg_endo -79.14 154.58 25.36 Favored 'Trans proline' 0 C--N 1.35 0.611 0 C-N-CA 123.084 2.523 . . . . 0.0 111.52 179.844 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 26.4 ttpt 67.23 12.3 8.86 Favored 'General case' 0 CA--C 1.552 1.053 0 C-N-CA 126.202 1.801 . . . . 0.0 114.794 175.206 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 30' ' ' THR . . . . . . . . . . . . . 89.6 m . . . . . 0 C--O 1.253 1.281 0 C-N-CA 126.413 1.885 . . . . 0.0 111.444 174.982 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.482 1.754 0 N-CA-C 112.326 -0.31 . . . . 0.0 112.326 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 6.8 tp -56.49 -38.61 57.17 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.244 0 C-N-CA 125.62 1.568 . . . . 0.0 113.781 -171.898 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 87.2 t -62.23 -32.52 55.04 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.904 0 C-N-CA 123.757 0.823 . . . . 0.0 111.101 178.519 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 36.9 mt-10 -81.58 -1.32 45.96 Favored 'General case' 0 CA--C 1.546 0.806 0 C-N-CA 124.17 0.988 . . . . 0.0 112.752 177.549 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 40.1 tp60 -104.26 -43.79 5.13 Favored 'General case' 0 CA--C 1.537 0.463 0 C-N-CA 124.236 1.014 . . . . 0.0 111.016 170.552 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 69.2 m -100.31 -34.82 9.83 Favored 'General case' 0 N--CA 1.472 0.649 0 N-CA-C 115.893 1.812 . . . . 0.0 115.893 -172.193 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 14.7 t -77.48 -26.27 51.18 Favored 'General case' 0 N--CA 1.48 1.038 0 O-C-N 120.849 -1.157 . . . . 0.0 113.37 -177.703 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 4.8 t -95.92 -19.28 19.66 Favored 'General case' 0 N--CA 1.475 0.804 0 C-N-CA 125.764 1.626 . . . . 0.0 113.716 -178.276 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 22.0 p -158.92 166.3 32.15 Favored 'General case' 0 N--CA 1.473 0.704 0 C-N-CA 124.818 1.247 . . . . 0.0 112.702 -169.958 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 23.6 mm -62.02 121.21 9.93 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.798 0 O-C-N 121.23 -0.919 . . . . 0.0 108.981 170.668 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 29.0 p -108.51 146.75 32.73 Favored 'General case' 0 N--CA 1.468 0.433 0 C-N-CA 123.302 0.641 . . . . 0.0 111.814 171.195 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 50.0 m -96.03 151.24 19.63 Favored 'General case' 0 N--CA 1.471 0.607 0 CA-C-O 121.483 0.658 . . . . 0.0 112.32 177.562 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . 0.524 ' H ' HD23 ' A' ' 13' ' ' LEU . 1.7 pt? -59.46 -39.1 82.58 Favored 'General case' 0 N--CA 1.464 0.241 0 O-C-N 121.421 -0.799 . . . . 0.0 112.557 -173.479 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 26.5 p90 -70.64 -13.69 62.18 Favored 'General case' 0 CA--C 1.536 0.432 0 C-N-CA 124.914 1.286 . . . . 0.0 114.11 -174.907 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 3.6 pt20 -113.11 -33.45 6.01 Favored 'General case' 0 N--CA 1.465 0.304 0 C-N-CA 124.048 0.939 . . . . 0.0 110.811 -179.266 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -66.69 -35.86 81.13 Favored 'General case' 0 CA--C 1.538 0.505 0 CA-C-N 119.024 0.829 . . . . 0.0 111.068 177.964 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -76.31 -16.55 59.74 Favored 'General case' 0 CA--C 1.533 0.291 0 N-CA-C 113.022 0.749 . . . . 0.0 113.022 -179.371 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 1.1 t-20 -57.76 -29.88 65.16 Favored 'General case' 0 CA--C 1.544 0.744 0 C-N-CA 124.049 0.939 . . . . 0.0 112.406 171.038 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 95.4 m-85 -77.44 -5.8 51.15 Favored 'General case' 0 CA--C 1.545 0.764 0 C-N-CA 125.83 1.652 . . . . 0.0 113.713 177.35 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 12.4 t -69.89 -24.1 63.35 Favored 'General case' 0 CA--C 1.545 0.759 0 C-N-CA 124.156 0.982 . . . . 0.0 113.123 175.68 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 68.2 m-80 . . . . . 0 C--O 1.254 1.318 0 C-N-CA 125.766 1.626 . . . . 0.0 112.994 179.726 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' B' B ' 1' ' ' PHE . . . . . . . . . . . . . 43.3 t80 . . . . . 0 N--CA 1.487 1.42 0 CA-C-O 119.576 -0.249 . . . . 0.0 110.729 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' B' B ' 2' ' ' VAL . . . . . . . . . . . . . 95.6 t -129.56 117.68 43.05 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.981 0 C-N-CA 124.843 1.257 . . . . 0.0 109.187 173.407 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 3' ' ' ASN . . . . . . . . . . . . . 71.7 m-20 -61.69 124.02 19.55 Favored 'General case' 0 C--O 1.235 0.331 0 C-N-CA 123.088 0.555 . . . . 0.0 110.243 168.53 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 4' ' ' GLN . . . . . . . . . . . . . 10.4 pt20 -160.45 -179.84 8.01 Favored 'General case' 0 CA--C 1.533 0.306 0 C-N-CA 123.78 0.832 . . . . 0.0 110.813 -171.323 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 5' ' ' HIS . . . . . . . . . . . . . 74.9 m-70 -81.44 125.99 31.11 Favored 'General case' 0 CA--C 1.542 0.644 0 C-N-CA 123.741 0.816 . . . . 0.0 109.861 168.76 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 78.3 mt -133.97 135.53 43.56 Favored 'General case' 0 N--CA 1.471 0.606 0 C-N-CA 124.818 1.247 . . . . 0.0 110.677 -174.297 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 7' ' ' CYS . . . . . . . . . . . . . 1.7 t -156.94 146.8 20.8 Favored 'General case' 0 N--CA 1.468 0.465 0 C-N-CA 123.757 0.823 . . . . 0.0 111.331 -177.346 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 8' ' ' GLY . . . . . . . . . . . . . . . 58.76 -128.18 47.03 Favored Glycine 0 CA--C 1.531 1.052 0 C-N-CA 124.059 0.837 . . . . 0.0 112.578 -179.903 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 9' ' ' SER . . . . . . . . . . . . . 20.6 m -54.62 -39.29 67.78 Favored 'General case' 0 N--CA 1.471 0.609 0 C-N-CA 124.384 1.074 . . . . 0.0 112.692 178.297 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 10' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -62.62 -36.12 81.74 Favored 'General case' 0 CA--C 1.543 0.678 0 O-C-N 121.228 -0.92 . . . . 0.0 112.518 177.182 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 16.5 tp -72.0 -44.59 63.22 Favored 'General case' 0 CA--C 1.536 0.432 0 C-N-CA 124.563 1.145 . . . . 0.0 110.87 177.724 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 92.8 t -59.66 -43.19 90.71 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.013 0 C-N-CA 124.084 0.953 . . . . 0.0 111.229 173.141 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 24.7 mt-10 -59.17 -47.21 86.15 Favored 'General case' 0 CA--C 1.533 0.319 0 C-N-CA 123.897 0.879 . . . . 0.0 111.968 173.26 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -61.36 -45.5 94.14 Favored 'General case' 0 CA--C 1.534 0.33 0 CA-C-N 119.466 1.03 . . . . 0.0 112.435 178.333 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 3.6 mm? -57.66 -37.52 73.53 Favored 'General case' 0 N--CA 1.469 0.523 0 CA-C-N 118.783 0.719 . . . . 0.0 111.73 175.341 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 16' ' ' TYR . . . . . . . . . . . . . 71.6 t80 -62.47 -45.51 92.7 Favored 'General case' 0 CA--C 1.536 0.424 0 CA-C-N 119.125 0.875 . . . . 0.0 111.656 172.372 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 97.6 mt -62.97 -49.88 72.96 Favored 'General case' 0 CA--C 1.533 0.302 0 CA-C-O 118.746 -0.645 . . . . 0.0 111.908 178.719 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 18' ' ' VAL . . . . . . . . . . . . . 0.1 OUTLIER -80.73 -37.39 16.43 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.089 0 N-CA-C 113.607 0.965 . . . . 0.0 113.607 -174.859 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 19' ' ' CYS . . . . . . . . . . . . . 47.7 t -105.79 -36.43 7.03 Favored 'General case' 0 N--CA 1.471 0.619 0 N-CA-C 113.507 0.929 . . . . 0.0 113.507 -171.405 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . -81.66 -50.43 4.99 Favored Glycine 0 CA--C 1.531 1.081 0 C-N-CA 124.103 0.859 . . . . 0.0 112.787 -176.254 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 8.4 tp10 -77.66 -45.9 23.61 Favored 'General case' 0 CA--C 1.543 0.69 0 C-N-CA 124.794 1.237 . . . . 0.0 111.744 -178.819 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 22' ' ' ARG . . . . . . . . . . . . . 66.6 mtt180 42.95 48.85 5.17 Favored 'General case' 0 CA--C 1.548 0.882 0 C-N-CA 126.425 1.89 . . . . 0.0 114.203 -178.909 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . -96.82 -63.93 0.92 Allowed Glycine 0 N--CA 1.474 1.183 0 C-N-CA 125.346 1.451 . . . . 0.0 111.475 174.566 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 24' ' ' HIS . . . . . . . . . . . . . 15.3 p80 -68.17 -20.17 64.85 Favored 'General case' 0 CA--C 1.552 1.037 0 C-N-CA 125.018 1.327 . . . . 0.0 114.177 176.804 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 25' ' ' PHE . . . . . . . . . . . . . 67.1 t80 -135.68 148.46 48.92 Favored 'General case' 0 CA--C 1.537 0.468 0 C-N-CA 126.619 1.968 . . . . 0.0 110.152 179.264 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 26' ' ' TYR . . . . . . . . . . . . . 77.4 t80 -145.75 147.93 32.44 Favored 'General case' 0 CA--C 1.54 0.594 0 C-N-CA 124.813 1.245 . . . . 0.0 112.035 -179.471 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 27' ' ' THR . . . . . . . . . . . . . 14.0 p -100.25 113.11 65.25 Favored Pre-proline 0 N--CA 1.472 0.641 0 C-N-CA 125.585 1.554 . . . . 0.0 109.887 177.125 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 28' ' ' PRO . . . . . . . . . . . . . 75.0 Cg_endo -76.92 144.84 24.57 Favored 'Trans proline' 0 N--CA 1.457 -0.621 0 C-N-CA 122.484 2.123 . . . . 0.0 110.362 177.969 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 21.8 pttm -173.72 162.7 4.11 Favored 'General case' 0 CA--C 1.545 0.756 0 C-N-CA 126.348 1.859 . . . . 0.0 112.752 -164.642 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 30' ' ' THR . . . . . . . . . . . . . 13.1 t . . . . . 0 C--O 1.254 1.323 0 C-N-CA 125.178 1.391 . . . . 0.0 112.648 176.785 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.636 0 N-CA-C 111.768 -0.533 . . . . 0.0 111.768 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 7.4 tp -52.02 -31.71 14.27 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.362 0 C-N-CA 125.883 1.673 . . . . 0.0 114.474 -172.172 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 70.7 t -57.3 -40.97 77.19 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.849 0 C-N-CA 124.235 1.014 . . . . 0.0 111.373 179.025 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 4.0 pt-20 -77.75 0.71 22.57 Favored 'General case' 0 N--CA 1.474 0.757 0 CA-C-N 119.189 0.904 . . . . 0.0 113.344 -179.824 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 15.7 tp60 -104.95 -52.64 2.81 Favored 'General case' 0 CA--C 1.537 0.477 0 C-N-CA 124.209 1.004 . . . . 0.0 110.998 167.711 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 1.5 t -98.88 -22.87 15.59 Favored 'General case' 0 N--CA 1.473 0.708 0 N-CA-C 115.58 1.696 . . . . 0.0 115.58 -166.682 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 14.6 t -73.92 -26.24 60.41 Favored 'General case' 0 N--CA 1.478 0.939 0 O-C-N 121.008 -1.058 . . . . 0.0 112.768 171.217 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 6.4 t -94.87 -34.11 12.56 Favored 'General case' 0 N--CA 1.473 0.686 0 C-N-CA 125.445 1.498 . . . . 0.0 113.181 -179.021 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 58.6 m -143.28 174.64 10.55 Favored 'General case' 0 CA--C 1.546 0.804 0 C-N-CA 125.231 1.412 . . . . 0.0 112.208 -173.618 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 22.8 mm -59.81 133.91 25.13 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.963 0 O-C-N 120.71 -1.244 . . . . 0.0 109.506 168.829 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 20.1 p -115.17 143.24 45.53 Favored 'General case' 0 N--CA 1.47 0.572 0 CA-C-O 121.697 0.76 . . . . 0.0 112.006 159.469 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 13.3 m -92.85 151.85 19.75 Favored 'General case' 0 N--CA 1.468 0.447 0 C-N-CA 124.133 0.973 . . . . 0.0 111.842 175.23 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . 0.578 ' H ' HD23 ' A' ' 13' ' ' LEU . 1.6 pt? -57.15 -42.33 80.83 Favored 'General case' 0 N--CA 1.465 0.277 0 O-C-N 121.407 -0.808 . . . . 0.0 111.815 -174.136 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 22.1 p90 -67.02 -14.25 62.72 Favored 'General case' 0 CA--C 1.537 0.458 0 N-CA-C 114.566 1.321 . . . . 0.0 114.566 -176.068 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 4.0 pt20 -114.39 -29.7 6.8 Favored 'General case' 0 N--CA 1.466 0.364 0 C-N-CA 123.747 0.819 . . . . 0.0 110.683 -179.558 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . 0.511 HD11 HG21 ' B' ' 18' ' ' VAL . 0.2 OUTLIER -68.32 -34.29 75.85 Favored 'General case' 0 CA--C 1.549 0.93 0 CA-C-N 119.336 0.971 . . . . 0.0 110.893 173.252 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 16.0 mt-10 -47.75 -38.96 16.55 Favored 'General case' 0 N--CA 1.478 0.926 0 C-N-CA 126.053 1.741 . . . . 0.0 112.586 171.203 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 8.4 m-80 -68.39 -8.53 41.12 Favored 'General case' 0 CA--C 1.545 0.777 0 C-N-CA 124.427 1.091 . . . . 0.0 113.763 -175.021 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 89.3 m-85 -97.72 -4.16 37.71 Favored 'General case' 0 CA--C 1.544 0.723 0 C-N-CA 125.594 1.558 . . . . 0.0 113.85 175.803 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 45.3 t -67.91 -33.18 74.21 Favored 'General case' 0 N--CA 1.474 0.738 0 O-C-N 121.27 -0.894 . . . . 0.0 113.09 178.522 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--O 1.253 1.261 0 C-N-CA 125.883 1.673 . . . . 0.0 113.24 178.002 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 1' ' ' PHE . . . . . . . . . . . . . 53.0 t80 . . . . . 0 N--CA 1.486 1.368 0 N-CA-C 110.757 -0.09 . . . . 0.0 110.757 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' B' B ' 2' ' ' VAL . . . . . . . . . . . . . 11.2 p -144.26 131.5 16.88 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.868 0 C-N-CA 124.871 1.268 . . . . 0.0 109.045 166.486 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 3' ' ' ASN . . . . . . . . . . . . . 70.1 m-20 -61.82 118.86 7.74 Favored 'General case' 0 CA--C 1.534 0.36 0 N-CA-C 109.499 -0.556 . . . . 0.0 109.499 173.595 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 4' ' ' GLN . . . . . . . . . . . . . 25.5 pt20 -155.45 178.4 10.28 Favored 'General case' 0 CA--C 1.533 0.296 0 CA-C-O 121.488 0.661 . . . . 0.0 111.211 -170.299 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 5' ' ' HIS . . . . . . . . . . . . . 73.3 m-70 -82.86 131.57 35.19 Favored 'General case' 0 CA--C 1.543 0.709 0 C-N-CA 124.176 0.99 . . . . 0.0 110.065 169.938 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 79.6 mt -140.76 137.61 33.53 Favored 'General case' 0 N--CA 1.471 0.582 0 C-N-CA 124.768 1.227 . . . . 0.0 110.889 -172.603 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 7' ' ' CYS . . . . . . . . . . . . . 2.1 t -155.93 146.72 22.09 Favored 'General case' 0 N--CA 1.469 0.523 0 O-C-N 121.619 -0.676 . . . . 0.0 111.831 179.589 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 8' ' ' GLY . . . . . . . . . . . . . . . 59.62 -127.16 43.95 Favored Glycine 0 N--CA 1.471 0.972 0 C-N-CA 123.986 0.803 . . . . 0.0 112.344 -179.983 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 9' ' ' SER . . . . . . . . . . . . . 20.3 m -53.87 -38.65 64.96 Favored 'General case' 0 N--CA 1.47 0.546 0 C-N-CA 124.595 1.158 . . . . 0.0 112.819 178.111 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 10' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -63.74 -35.3 80.13 Favored 'General case' 0 CA--C 1.543 0.701 0 O-C-N 121.257 -0.902 . . . . 0.0 112.543 177.288 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 14.1 tp -75.13 -41.76 57.73 Favored 'General case' 0 CA--C 1.537 0.46 0 C-N-CA 124.359 1.063 . . . . 0.0 111.029 178.268 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 92.2 t -60.1 -42.94 91.7 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.109 0 C-N-CA 124.044 0.938 . . . . 0.0 111.312 171.155 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 22.2 mt-10 -58.43 -48.37 80.91 Favored 'General case' 0 N--CA 1.465 0.29 0 C-N-CA 123.604 0.762 . . . . 0.0 111.66 171.923 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 14' ' ' ALA . . . . . 0.539 ' O ' HG22 ' B' ' 18' ' ' VAL . . . -58.83 -47.34 85.15 Favored 'General case' 0 CA--C 1.535 0.392 0 CA-C-N 119.582 1.083 . . . . 0.0 112.34 178.512 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 3.9 mm? -56.07 -36.73 68.4 Favored 'General case' 0 N--CA 1.472 0.657 0 C-N-CA 123.551 0.74 . . . . 0.0 112.068 175.85 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 16' ' ' TYR . . . . . . . . . . . . . 85.5 t80 -63.38 -43.11 98.54 Favored 'General case' 0 CA--C 1.539 0.528 0 O-C-N 121.371 -0.83 . . . . 0.0 112.275 171.052 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 83.7 mt -66.02 -50.93 62.5 Favored 'General case' 0 CA--C 1.541 0.603 0 CA-C-N 118.87 0.759 . . . . 0.0 111.961 179.742 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 18' ' ' VAL . . . . . 0.539 HG22 ' O ' ' B' ' 14' ' ' ALA . 0.0 OUTLIER -70.09 -45.27 76.78 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.112 0 N-CA-C 112.576 0.584 . . . . 0.0 112.576 -178.774 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' B' B ' 19' ' ' CYS . . . . . . . . . . . . . 15.9 t -116.58 -33.4 4.89 Favored 'General case' 0 N--CA 1.472 0.635 0 N-CA-C 114.212 1.19 . . . . 0.0 114.212 -166.391 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . -73.69 -46.17 25.44 Favored Glycine 0 N--CA 1.474 1.175 0 C-N-CA 123.934 0.778 . . . . 0.0 112.723 -176.282 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 47.0 mt-10 -75.5 -51.77 12.22 Favored 'General case' 0 CA--C 1.536 0.414 0 C-N-CA 125.022 1.329 . . . . 0.0 111.175 172.895 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 22' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 66.83 -25.78 0.11 Allowed 'General case' 0 CA--C 1.546 0.814 0 C-N-CA 128.694 2.798 . . . . 0.0 114.917 178.205 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . -98.79 -144.71 17.32 Favored Glycine 0 CA--C 1.531 1.046 0 C-N-CA 126.785 2.136 . . . . 0.0 111.666 169.903 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 24' ' ' HIS . . . . . . . . . . . . . 30.9 p80 -66.82 162.11 22.3 Favored 'General case' 0 CA--C 1.552 1.027 0 N-CA-C 113.738 1.014 . . . . 0.0 113.738 174.643 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 25' ' ' PHE . . . . . . . . . . . . . 80.3 t80 -71.47 120.55 17.21 Favored 'General case' 0 CA--C 1.538 0.485 0 C-N-CA 124.33 1.052 . . . . 0.0 110.979 173.576 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 26' ' ' TYR . . . . . . . . . . . . . 54.6 t80 -77.55 147.65 35.63 Favored 'General case' 0 CA--C 1.542 0.651 0 C-N-CA 123.641 0.777 . . . . 0.0 112.764 177.558 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 27' ' ' THR . . . . . . . . . . . . . 20.9 p -121.27 100.72 44.88 Favored Pre-proline 0 N--CA 1.472 0.675 0 C-N-CA 125.972 1.709 . . . . 0.0 109.446 176.424 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 28' ' ' PRO . . . . . . . . . . . . . 87.4 Cg_exo -57.07 155.4 28.8 Favored 'Trans proline' 0 C--N 1.351 0.704 0 C-N-CA 124.185 3.257 . . . . 0.0 114.466 178.612 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 96.4 mttt -87.18 15.57 6.07 Favored 'General case' 0 CA--C 1.549 0.93 0 C-N-CA 125.224 1.41 . . . . 0.0 113.854 -175.217 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 30' ' ' THR . . . . . . . . . . . . . 20.3 m . . . . . 0 C--O 1.255 1.344 0 C-N-CA 127.533 2.333 . . . . 0.0 112.575 -178.295 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.476 1.341 0 N-CA-C 111.683 -0.567 . . . . 0.0 111.683 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 8.4 tp -68.68 -36.98 76.89 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.024 0 N-CA-C 114.551 1.315 . . . . 0.0 114.551 -171.303 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 77.3 t -70.2 -45.85 74.22 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.073 0 CA-C-N 119.506 1.048 . . . . 0.0 110.448 -175.517 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -81.37 18.79 1.07 Allowed 'General case' 0 CA--C 1.548 0.886 0 N-CA-C 113.042 0.756 . . . . 0.0 113.042 172.315 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 8.1 tp-100 -107.87 -60.5 1.7 Allowed 'General case' 0 CA--C 1.54 0.595 0 C-N-CA 124.437 1.095 . . . . 0.0 109.532 159.175 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 54.3 m -86.37 -31.32 21.56 Favored 'General case' 0 N--CA 1.469 0.52 0 N-CA-C 115.714 1.746 . . . . 0.0 115.714 -169.802 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 36.9 t -82.36 -27.13 32.32 Favored 'General case' 0 N--CA 1.476 0.833 0 CA-C-N 119.775 1.17 . . . . 0.0 113.083 -179.694 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 10.6 t -84.54 -33.46 23.47 Favored 'General case' 0 N--CA 1.476 0.845 0 C-N-CA 124.653 1.181 . . . . 0.0 112.987 178.713 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 60.2 m -146.11 169.24 19.1 Favored 'General case' 0 CA--C 1.544 0.728 0 C-N-CA 125.083 1.353 . . . . 0.0 112.266 -172.985 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 23.5 mm -56.44 131.52 19.98 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.894 0 O-C-N 121.141 -0.975 . . . . 0.0 110.019 171.215 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 14.0 p -129.04 158.07 39.93 Favored 'General case' 0 N--CA 1.469 0.48 0 CA-C-O 121.626 0.727 . . . . 0.0 112.682 168.34 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 23.0 m -119.01 154.14 33.55 Favored 'General case' 0 N--CA 1.47 0.537 0 C-N-CA 124.777 1.231 . . . . 0.0 112.609 -173.744 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . 0.506 ' H ' HD23 ' A' ' 13' ' ' LEU . 1.9 pt? -59.25 -40.02 84.67 Favored 'General case' 0 N--CA 1.463 0.218 0 O-C-N 121.42 -0.8 . . . . 0.0 112.18 -173.499 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 19.0 p90 -68.54 -13.41 62.31 Favored 'General case' 0 CA--C 1.535 0.394 0 C-N-CA 125.049 1.339 . . . . 0.0 114.144 -174.035 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 3.8 pt20 -111.43 -38.62 4.9 Favored 'General case' 0 C--O 1.223 -0.336 0 C-N-CA 124.175 0.99 . . . . 0.0 109.428 176.859 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . 0.413 HD11 HG21 ' B' ' 18' ' ' VAL . 0.3 OUTLIER -65.21 -27.37 68.63 Favored 'General case' 0 CA--C 1.549 0.907 0 CA-C-N 120.276 1.398 . . . . 0.0 112.679 -178.021 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 30.9 mt-10 -48.43 -37.93 18.43 Favored 'General case' 0 N--CA 1.481 1.082 0 C-N-CA 124.457 1.103 . . . . 0.0 112.444 168.813 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 26.8 m-80 -65.61 -21.22 66.56 Favored 'General case' 0 CA--C 1.542 0.638 0 C-N-CA 124.341 1.056 . . . . 0.0 113.028 -170.237 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 61.0 m-85 -87.82 -9.74 52.97 Favored 'General case' 0 CA--C 1.541 0.632 0 C-N-CA 125.998 1.719 . . . . 0.0 113.296 -178.304 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 16.9 t -70.8 -26.13 63.18 Favored 'General case' 0 CA--C 1.544 0.746 0 C-N-CA 123.896 0.879 . . . . 0.0 113.082 176.906 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 C--O 1.252 1.229 0 C-N-CA 126.172 1.789 . . . . 0.0 111.866 177.026 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 1' ' ' PHE . . . . . . . . . . . . . 41.3 t80 . . . . . 0 N--CA 1.485 1.321 0 N-CA-C 110.244 -0.28 . . . . 0.0 110.244 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' B' B ' 2' ' ' VAL . . . . . . . . . . . . . 86.7 t -129.51 122.56 55.67 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.995 0 C-N-CA 124.738 1.215 . . . . 0.0 108.419 171.585 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 3' ' ' ASN . . . . . . . . . . . . . 68.8 m-20 -67.88 119.7 12.99 Favored 'General case' 0 CA--C 1.536 0.408 0 C-N-CA 123.444 0.698 . . . . 0.0 109.448 175.97 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 4' ' ' GLN . . . . . . . . . . . . . 12.0 pt20 -158.66 179.23 9.3 Favored 'General case' 0 CA--C 1.534 0.351 0 C-N-CA 123.222 0.609 . . . . 0.0 112.104 -165.09 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 5' ' ' HIS . . . . . . . . . . . . . 68.8 m-70 -81.64 128.82 34.35 Favored 'General case' 0 CA--C 1.546 0.816 0 C-N-CA 124.098 0.959 . . . . 0.0 110.383 167.635 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 92.4 mt -131.58 126.83 35.79 Favored 'General case' 0 N--CA 1.47 0.553 0 C-N-CA 125.235 1.414 . . . . 0.0 110.77 -176.857 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 7' ' ' CYS . . . . . . . . . . . . . 66.6 m -134.97 144.32 47.34 Favored 'General case' 0 N--CA 1.471 0.592 0 C-N-CA 125.242 1.417 . . . . 0.0 110.431 -179.725 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 8' ' ' GLY . . . . . . . . . . . . . . . 54.79 -122.99 27.5 Favored Glycine 0 N--CA 1.474 1.175 0 C-N-CA 124.057 0.837 . . . . 0.0 113.304 170.157 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 9' ' ' SER . . . . . . . . . . . . . 20.3 m -54.35 -39.95 67.6 Favored 'General case' 0 N--CA 1.47 0.537 0 C-N-CA 124.447 1.099 . . . . 0.0 112.802 178.269 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 10' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -63.47 -38.42 91.07 Favored 'General case' 0 CA--C 1.541 0.613 0 O-C-N 121.261 -0.899 . . . . 0.0 112.242 176.676 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 17.4 tp -70.36 -44.68 67.6 Favored 'General case' 0 CA--C 1.536 0.426 0 C-N-CA 124.282 1.033 . . . . 0.0 110.951 177.655 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 75.7 t -59.92 -44.0 93.45 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.968 0 C-N-CA 124.249 1.02 . . . . 0.0 111.289 173.854 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 21.6 mt-10 -58.99 -45.07 91.52 Favored 'General case' 0 N--CA 1.468 0.451 0 C-N-CA 123.999 0.92 . . . . 0.0 112.169 173.918 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -61.64 -49.25 77.31 Favored 'General case' 0 CA--C 1.533 0.319 0 CA-C-N 118.91 0.777 . . . . 0.0 111.563 176.655 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 3.8 mm? -55.35 -38.77 69.22 Favored 'General case' 0 N--CA 1.469 0.521 0 CA-C-N 118.792 0.724 . . . . 0.0 112.06 176.78 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 16' ' ' TYR . . . . . . . . . . . . . 68.6 t80 -60.53 -45.57 93.38 Favored 'General case' 0 CA--C 1.535 0.366 0 CA-C-N 118.995 0.816 . . . . 0.0 112.089 171.896 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 95.9 mt -65.78 -48.52 71.51 Favored 'General case' 0 CA--C 1.537 0.454 0 CA-C-N 118.955 0.798 . . . . 0.0 112.19 179.445 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 18' ' ' VAL . . . . . 0.413 HG21 HD11 ' A' ' 16' ' ' LEU . 0.0 OUTLIER -79.02 -32.87 15.56 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.374 0 N-CA-C 113.563 0.949 . . . . 0.0 113.563 -175.265 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' B' B ' 19' ' ' CYS . . . . . . . . . . . . . 15.3 t -116.56 -26.77 6.94 Favored 'General case' 0 CA--C 1.543 0.691 0 N-CA-C 115.342 1.608 . . . . 0.0 115.342 -171.86 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . -86.08 -72.29 1.29 Allowed Glycine 0 N--CA 1.474 1.169 0 C-N-CA 124.358 0.98 . . . . 0.0 111.212 176.428 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 8.9 tp10 -66.51 -27.91 68.15 Favored 'General case' 0 CA--C 1.544 0.75 0 C-N-CA 126.487 1.915 . . . . 0.0 112.324 174.527 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 22' ' ' ARG . . . . . . . . . . . . . 51.5 mtm180 48.85 44.99 22.37 Favored 'General case' 0 CA--C 1.543 0.679 0 C-N-CA 126.648 1.979 . . . . 0.0 112.187 -175.352 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . -175.6 162.2 31.42 Favored Glycine 0 CA--C 1.529 0.933 0 C-N-CA 126.142 1.83 . . . . 0.0 113.067 -176.367 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 24' ' ' HIS . . . . . . . . . . . . . 93.6 m-70 -66.37 155.38 37.52 Favored 'General case' 0 CA--C 1.549 0.91 0 N-CA-C 113.728 1.011 . . . . 0.0 113.728 -176.283 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 25' ' ' PHE . . . . . . . . . . . . . 76.7 t80 -65.07 146.49 54.94 Favored 'General case' 0 CA--C 1.541 0.63 0 C-N-CA 124.137 0.975 . . . . 0.0 112.356 177.968 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 26' ' ' TYR . . . . . . . . . . . . . 65.7 t80 -149.36 150.45 32.48 Favored 'General case' 0 CA--C 1.542 0.665 0 C-N-CA 125.919 1.688 . . . . 0.0 111.737 -178.342 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 27' ' ' THR . . . . . . . . . . . . . 20.6 p -118.54 110.97 38.32 Favored Pre-proline 0 N--CA 1.474 0.764 0 C-N-CA 125.913 1.685 . . . . 0.0 109.625 176.72 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 28' ' ' PRO . . . . . . . . . . . . . 86.7 Cg_endo -76.77 158.37 35.23 Favored 'Trans proline' 0 C--N 1.349 0.595 0 C-N-CA 123.155 2.57 . . . . 0.0 111.891 -178.115 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 57.2 mtmt -90.44 14.47 12.91 Favored 'General case' 0 CA--C 1.547 0.862 0 C-N-CA 124.808 1.243 . . . . 0.0 114.053 -175.933 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 30' ' ' THR . . . . . . . . . . . . . 32.4 p . . . . . 0 C--O 1.253 1.256 0 C-N-CA 127.182 2.193 . . . . 0.0 112.986 -177.525 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.482 1.71 0 CA-C-O 121.208 0.338 . . . . 0.0 112.884 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 8.5 tp -67.45 -42.09 86.79 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.13 0 C-N-CA 125.223 1.409 . . . . 0.0 114.188 -172.338 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 84.8 t -65.48 -46.1 90.88 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.159 0 C-N-CA 123.574 0.75 . . . . 0.0 110.664 -175.725 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 17.7 pt-20 -70.86 7.47 1.15 Allowed 'General case' 0 CA--C 1.545 0.752 0 N-CA-C 113.727 1.01 . . . . 0.0 113.727 176.711 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 23.7 mm-40 -114.83 -65.9 1.14 Allowed 'General case' 0 CA--C 1.538 0.484 0 C-N-CA 124.582 1.153 . . . . 0.0 110.208 166.108 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 63.0 m -71.74 -27.94 63.33 Favored 'General case' 0 N--CA 1.473 0.718 0 N-CA-C 115.236 1.569 . . . . 0.0 115.236 -171.642 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 47.2 t -82.26 -32.32 29.68 Favored 'General case' 0 N--CA 1.476 0.855 0 CA-C-N 119.371 0.987 . . . . 0.0 113.444 178.641 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 12.4 t -86.39 -28.51 23.55 Favored 'General case' 0 N--CA 1.477 0.91 0 C-N-CA 124.179 0.992 . . . . 0.0 112.756 179.475 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 90.4 p -151.43 168.23 25.49 Favored 'General case' 0 N--CA 1.468 0.445 0 C-N-CA 124.177 0.991 . . . . 0.0 112.837 -179.791 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 12.9 mt -75.24 121.4 26.79 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.277 0 O-C-N 121.308 -0.87 . . . . 0.0 111.115 -175.662 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 28.6 p -107.35 152.32 24.31 Favored 'General case' 0 CA--C 1.538 0.51 0 C-N-CA 124.984 1.313 . . . . 0.0 111.586 175.632 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 59.3 m -97.91 152.79 18.86 Favored 'General case' 0 N--CA 1.471 0.58 0 C-N-CA 123.955 0.902 . . . . 0.0 112.233 176.877 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . 0.509 ' H ' HD23 ' A' ' 13' ' ' LEU . 1.9 pt? -59.25 -39.87 84.19 Favored 'General case' 0 CA--C 1.53 0.191 0 O-C-N 121.457 -0.777 . . . . 0.0 112.373 -174.267 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 22.4 p90 -68.78 -17.43 64.03 Favored 'General case' 0 CA--C 1.535 0.384 0 C-N-CA 124.503 1.121 . . . . 0.0 113.662 -174.596 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 3.8 pt20 -108.44 -24.82 11.26 Favored 'General case' 0 C--O 1.224 -0.288 0 C-N-CA 124.056 0.942 . . . . 0.0 111.135 178.707 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . 0.49 HD11 HG21 ' B' ' 18' ' ' VAL . 0.3 OUTLIER -74.4 -28.73 61.22 Favored 'General case' 0 CA--C 1.549 0.908 0 CA-C-N 119.727 1.149 . . . . 0.0 111.986 175.503 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 29.3 mt-10 -54.04 -34.99 61.48 Favored 'General case' 0 N--CA 1.48 1.056 0 CA-C-N 119.086 0.857 . . . . 0.0 111.848 171.212 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 8.3 m-80 -66.36 -8.46 25.57 Favored 'General case' 0 CA--C 1.549 0.905 0 N-CA-C 113.749 1.018 . . . . 0.0 113.749 -176.267 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 71.5 m-85 -98.41 -8.72 26.38 Favored 'General case' 0 CA--C 1.544 0.735 0 C-N-CA 125.863 1.665 . . . . 0.0 113.642 173.718 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 38.5 t -70.08 -31.73 69.47 Favored 'General case' 0 N--CA 1.473 0.708 0 C-N-CA 123.992 0.917 . . . . 0.0 112.938 -179.287 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--O 1.254 1.304 0 C-N-CA 126.083 1.753 . . . . 0.0 113.321 178.038 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 1' ' ' PHE . . . . . . . . . . . . . 71.3 t80 . . . . . 0 N--CA 1.487 1.38 0 CA-C-O 119.832 -0.128 . . . . 0.0 110.754 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' B' B ' 2' ' ' VAL . . . . . . . . . . . . . 96.1 t -132.08 121.74 47.23 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.955 0 C-N-CA 124.905 1.282 . . . . 0.0 108.256 169.759 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 3' ' ' ASN . . . . . . . . . . . . . 8.4 m120 -65.03 115.62 5.6 Favored 'General case' 0 CA--C 1.541 0.633 0 C-N-CA 123.784 0.834 . . . . 0.0 109.805 172.711 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 4' ' ' GLN . . . . . . . . . . . . . 14.7 pt20 -161.08 -178.14 6.56 Favored 'General case' 0 CA--C 1.537 0.475 0 C-N-CA 125.528 1.531 . . . . 0.0 110.402 -171.601 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 5' ' ' HIS . . . . . . . . . . . . . 78.6 m-70 -86.75 128.17 35.01 Favored 'General case' 0 CA--C 1.542 0.635 0 C-N-CA 123.961 0.904 . . . . 0.0 110.447 171.421 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 96.1 mt -128.39 121.55 29.34 Favored 'General case' 0 N--CA 1.468 0.465 0 C-N-CA 124.868 1.267 . . . . 0.0 110.891 -172.903 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 7' ' ' CYS . . . . . . . . . . . . . 59.0 m -134.25 142.41 47.33 Favored 'General case' 0 N--CA 1.47 0.527 0 C-N-CA 125.198 1.399 . . . . 0.0 110.293 -178.204 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 8' ' ' GLY . . . . . . . . . . . . . . . 55.6 -123.4 30.19 Favored Glycine 0 N--CA 1.473 1.157 0 C-N-CA 123.972 0.796 . . . . 0.0 113.198 171.323 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 9' ' ' SER . . . . . . . . . . . . . 20.4 m -53.95 -40.44 66.81 Favored 'General case' 0 N--CA 1.47 0.554 0 C-N-CA 124.445 1.098 . . . . 0.0 112.772 178.242 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 10' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -63.14 -38.32 90.72 Favored 'General case' 0 CA--C 1.542 0.635 0 O-C-N 121.35 -0.843 . . . . 0.0 112.207 177.506 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 21.1 tp -71.62 -44.69 63.94 Favored 'General case' 0 CA--C 1.537 0.45 0 C-N-CA 124.554 1.142 . . . . 0.0 110.993 178.097 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 73.4 t -59.31 -43.28 89.67 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.074 0 C-N-CA 124.106 0.962 . . . . 0.0 111.195 173.164 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 24.4 mt-10 -58.78 -47.89 83.14 Favored 'General case' 0 CA--C 1.533 0.325 0 C-N-CA 123.856 0.863 . . . . 0.0 111.843 173.184 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 14' ' ' ALA . . . . . 0.433 ' O ' HG23 ' B' ' 18' ' ' VAL . . . -60.99 -47.54 85.96 Favored 'General case' 0 CA--C 1.532 0.264 0 CA-C-N 119.403 1.002 . . . . 0.0 111.846 177.99 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 3.7 mm? -55.38 -38.44 68.87 Favored 'General case' 0 N--CA 1.469 0.496 0 C-N-CA 123.276 0.63 . . . . 0.0 111.899 176.679 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 16' ' ' TYR . . . . . . . . . . . . . 81.7 t80 -62.73 -46.42 88.14 Favored 'General case' 0 CA--C 1.536 0.423 0 CA-C-N 119.0 0.818 . . . . 0.0 112.206 171.369 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 96.1 mt -63.07 -44.93 94.41 Favored 'General case' 0 CA--C 1.536 0.427 0 CA-C-N 118.683 0.674 . . . . 0.0 112.339 -179.612 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 18' ' ' VAL . . . . . 0.49 HG21 HD11 ' A' ' 16' ' ' LEU . 0.1 OUTLIER -76.85 -50.34 21.41 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.07 0 CA-C-N 118.738 0.699 . . . . 0.0 111.767 -179.038 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' B' B ' 19' ' ' CYS . . . . . . . . . . . . . 35.7 t -102.26 -35.79 8.73 Favored 'General case' 0 CA--C 1.539 0.549 0 N-CA-C 113.776 1.028 . . . . 0.0 113.776 -166.251 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . -80.21 -51.7 4.88 Favored Glycine 0 N--CA 1.471 1.024 0 C-N-CA 124.14 0.876 . . . . 0.0 112.51 -174.782 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 34.9 tt0 -62.88 -34.07 76.63 Favored 'General case' 0 CA--C 1.539 0.527 0 C-N-CA 124.521 1.128 . . . . 0.0 112.339 -176.673 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 22' ' ' ARG . . . . . . . . . . . . . 12.0 ptm180 -70.31 -4.52 22.47 Favored 'General case' 0 CA--C 1.546 0.819 0 N-CA-C 114.285 1.217 . . . . 0.0 114.285 174.922 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . -87.73 -31.7 14.9 Favored Glycine 0 CA--C 1.532 1.143 0 C-N-CA 125.495 1.521 . . . . 0.0 112.79 167.836 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 24' ' ' HIS . . . . . . . . . . . . . 97.6 m-70 -88.14 -27.48 21.86 Favored 'General case' 0 CA--C 1.546 0.825 0 C-N-CA 125.099 1.36 . . . . 0.0 113.768 178.503 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 25' ' ' PHE . . . . . . . . . . . . . 72.9 t80 -133.64 151.54 51.69 Favored 'General case' 0 CA--C 1.54 0.562 0 C-N-CA 125.86 1.664 . . . . 0.0 111.393 -179.537 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 26' ' ' TYR . . . . . . . . . . . . . 51.2 t80 -68.34 150.27 48.4 Favored 'General case' 0 CA--C 1.544 0.733 0 N-CA-C 114.143 1.164 . . . . 0.0 114.143 -175.837 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 27' ' ' THR . . . . . . . . . . . . . 17.3 p -126.98 121.03 22.76 Favored Pre-proline 0 N--CA 1.475 0.819 0 C-N-CA 125.756 1.623 . . . . 0.0 109.365 168.911 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 28' ' ' PRO . . . . . . . . . . . . . 68.6 Cg_endo -79.68 167.23 20.92 Favored 'Trans proline' 0 CA--C 1.536 0.596 0 C-N-CA 123.393 2.729 . . . . 0.0 111.82 -179.259 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 25.9 pttm -78.71 11.22 2.69 Favored 'General case' 0 CA--C 1.549 0.913 0 N-CA-C 115.222 1.564 . . . . 0.0 115.222 179.817 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 30' ' ' THR . . . . . . . . . . . . . 25.5 m . . . . . 0 C--O 1.253 1.244 0 C-N-CA 127.379 2.272 . . . . 0.0 112.583 -177.671 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.478 1.471 0 N-CA-C 111.754 -0.538 . . . . 0.0 111.754 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 9.3 tp -62.98 -40.35 88.68 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.132 0 C-N-CA 124.62 1.168 . . . . 0.0 113.249 -173.856 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 84.6 t -64.34 -41.48 92.5 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.915 0 C-N-CA 123.71 0.804 . . . . 0.0 110.408 179.419 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 43.0 mp0 -75.64 -2.55 29.87 Favored 'General case' 0 CA--C 1.544 0.749 0 C-N-CA 123.991 0.916 . . . . 0.0 113.226 178.667 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 30.7 mm100 -95.79 -56.66 2.6 Favored 'General case' 0 CA--C 1.536 0.435 0 CA-C-N 119.07 0.85 . . . . 0.0 110.645 162.258 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 35.9 m -92.21 -28.62 16.91 Favored 'General case' 0 N--CA 1.47 0.56 0 N-CA-C 114.934 1.457 . . . . 0.0 114.934 -162.693 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 11.7 t -74.62 -25.34 59.17 Favored 'General case' 0 N--CA 1.473 0.716 0 O-C-N 121.426 -0.796 . . . . 0.0 112.885 175.16 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 6.7 t -92.82 -32.11 14.76 Favored 'General case' 0 N--CA 1.473 0.705 0 C-N-CA 124.997 1.319 . . . . 0.0 112.966 178.125 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . 0.419 ' HA ' ' CE1' ' B' ' 5' ' ' HIS . 3.9 t -152.73 -175.21 5.2 Favored 'General case' 0 CA--C 1.543 0.698 0 N-CA-C 114.101 1.149 . . . . 0.0 114.101 -175.082 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 34.4 mm -64.78 128.31 27.16 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.454 0 C-N-CA 125.095 1.358 . . . . 0.0 111.209 178.945 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 10.2 m -112.45 130.19 56.07 Favored 'General case' 0 N--CA 1.467 0.418 0 C-N-CA 124.568 1.147 . . . . 0.0 111.536 165.595 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 48.9 m -89.44 156.33 18.74 Favored 'General case' 0 CA--C 1.537 0.45 0 C-N-CA 124.428 1.091 . . . . 0.0 111.605 165.937 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . 0.569 ' H ' HD23 ' A' ' 13' ' ' LEU . 1.5 pt? -56.72 -43.57 80.73 Favored 'General case' 0 CA--C 1.532 0.278 0 C-N-CA 123.949 0.9 . . . . 0.0 112.029 -176.86 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 26.6 p90 -69.35 -13.56 62.44 Favored 'General case' 0 CA--C 1.535 0.399 0 C-N-CA 124.833 1.253 . . . . 0.0 114.2 -170.695 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 2.2 pt20 -113.14 -26.63 8.35 Favored 'General case' 0 C--O 1.223 -0.309 0 C-N-CA 124.233 1.013 . . . . 0.0 111.05 -178.546 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -78.5 -30.12 47.03 Favored 'General case' 0 CA--C 1.548 0.884 0 C-N-CA 123.899 0.88 . . . . 0.0 111.531 177.636 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 27.7 mt-10 -50.25 -36.45 31.22 Favored 'General case' 0 N--CA 1.483 1.189 0 C-N-CA 125.285 1.434 . . . . 0.0 111.949 170.368 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 4.3 m120 -57.01 -26.28 59.98 Favored 'General case' 0 CA--C 1.541 0.621 0 C-N-CA 125.335 1.454 . . . . 0.0 112.841 -175.114 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 93.6 m-85 -88.61 -6.55 57.45 Favored 'General case' 0 CA--C 1.541 0.629 0 C-N-CA 125.978 1.711 . . . . 0.0 113.741 -177.396 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 11.6 t -75.56 -26.12 57.69 Favored 'General case' 0 CA--C 1.545 0.765 0 C-N-CA 123.492 0.717 . . . . 0.0 112.693 173.741 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 24.2 t-20 . . . . . 0 C--O 1.254 1.297 0 C-N-CA 125.636 1.574 . . . . 0.0 113.063 178.06 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' B' B ' 1' ' ' PHE . . . . . . . . . . . . . 30.0 t80 . . . . . 0 N--CA 1.487 1.383 0 N-CA-C 110.759 -0.089 . . . . 0.0 110.759 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' B' B ' 2' ' ' VAL . . . . . . . . . . . . . 12.4 p -147.21 134.62 14.26 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.863 0 C-N-CA 125.021 1.328 . . . . 0.0 109.169 168.468 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 3' ' ' ASN . . . . . . . . . . . . . 5.8 p30 -64.78 124.9 23.17 Favored 'General case' 0 CA--C 1.534 0.354 0 CA-C-O 120.768 0.318 . . . . 0.0 110.501 172.642 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 4' ' ' GLN . . . . . . . . . . . . . 23.6 pt20 -160.17 172.28 17.71 Favored 'General case' 0 CA--C 1.53 0.187 0 CA-C-O 121.804 0.811 . . . . 0.0 112.052 -165.844 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 5' ' ' HIS . . . . . 0.419 ' CE1' ' HA ' ' A' ' 9' ' ' SER . 76.5 m-70 -77.95 132.28 37.8 Favored 'General case' 0 CA--C 1.544 0.729 0 C-N-CA 124.304 1.041 . . . . 0.0 110.277 169.494 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 89.7 mt -140.33 132.32 27.78 Favored 'General case' 0 N--CA 1.47 0.572 0 C-N-CA 124.797 1.239 . . . . 0.0 110.868 -173.954 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 7' ' ' CYS . . . . . . . . . . . . . 3.0 t -155.07 145.92 22.47 Favored 'General case' 0 N--CA 1.468 0.462 0 O-C-N 121.686 -0.634 . . . . 0.0 111.81 178.2 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 8' ' ' GLY . . . . . . . . . . . . . . . 59.82 -126.65 42.41 Favored Glycine 0 CA--C 1.529 0.942 0 C-N-CA 123.866 0.746 . . . . 0.0 112.198 -179.088 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 9' ' ' SER . . . . . . . . . . . . . 20.1 m -53.48 -39.94 64.92 Favored 'General case' 0 N--CA 1.47 0.534 0 C-N-CA 124.609 1.164 . . . . 0.0 112.65 178.197 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 10' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -62.76 -38.06 89.08 Favored 'General case' 0 CA--C 1.541 0.61 0 O-C-N 121.189 -0.944 . . . . 0.0 112.503 177.915 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 15.5 tp -71.37 -44.12 65.59 Favored 'General case' 0 CA--C 1.536 0.411 0 C-N-CA 124.351 1.06 . . . . 0.0 110.776 178.43 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 83.0 t -59.89 -44.03 93.43 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.012 0 C-N-CA 123.914 0.885 . . . . 0.0 111.246 173.3 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 23.9 mt-10 -59.54 -45.71 90.98 Favored 'General case' 0 N--CA 1.466 0.332 0 C-N-CA 124.066 0.946 . . . . 0.0 112.126 173.996 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -61.37 -49.1 78.29 Favored 'General case' 0 CA--C 1.532 0.275 0 CA-C-N 119.057 0.844 . . . . 0.0 111.487 177.792 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 3.9 mm? -54.99 -37.96 67.23 Favored 'General case' 0 N--CA 1.472 0.647 0 CA-C-N 119.048 0.84 . . . . 0.0 112.049 176.856 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 16' ' ' TYR . . . . . . . . . . . . . 54.1 t80 -62.24 -43.52 98.63 Favored 'General case' 0 CA--C 1.539 0.523 0 O-C-N 121.256 -0.903 . . . . 0.0 112.408 172.004 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 95.4 mt -68.92 -46.08 69.18 Favored 'General case' 0 CA--C 1.537 0.474 0 O-C-N 121.534 -0.729 . . . . 0.0 112.556 179.976 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 18' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -78.08 -40.76 26.54 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.28 0 CA-C-N 118.998 0.817 . . . . 0.0 112.515 -178.004 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 19' ' ' CYS . . . . . . . . . . . . . 15.0 t -111.45 -39.65 4.6 Favored 'General case' 0 CA--C 1.538 0.514 0 N-CA-C 113.811 1.041 . . . . 0.0 113.811 -171.35 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . -69.81 -33.73 71.17 Favored Glycine 0 N--CA 1.475 1.281 0 O-C-N 121.446 -0.784 . . . . 0.0 113.079 -177.854 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 37.7 tt0 -60.9 -21.8 63.7 Favored 'General case' 0 CA--C 1.548 0.901 0 C-N-CA 125.197 1.399 . . . . 0.0 112.943 174.86 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 22' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -74.32 -6.2 46.65 Favored 'General case' 0 N--CA 1.475 0.799 0 C-N-CA 124.751 1.22 . . . . 0.0 113.34 174.927 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . 115.06 141.8 7.59 Favored Glycine 0 CA--C 1.529 0.909 0 C-N-CA 126.844 2.164 . . . . 0.0 112.219 -178.635 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 24' ' ' HIS . . . . . . . . . . . . . 24.2 m170 -87.58 -8.02 56.8 Favored 'General case' 0 CA--C 1.548 0.889 0 N-CA-C 114.535 1.309 . . . . 0.0 114.535 -172.056 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 25' ' ' PHE . . . . . . . . . . . . . 77.6 t80 -66.88 148.52 51.83 Favored 'General case' 0 CA--C 1.542 0.653 0 C-N-CA 124.967 1.307 . . . . 0.0 112.632 -178.866 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 26' ' ' TYR . . . . . . . . . . . . . 64.5 t80 -146.71 150.66 35.83 Favored 'General case' 0 CA--C 1.543 0.685 0 C-N-CA 126.007 1.723 . . . . 0.0 111.711 -179.847 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 27' ' ' THR . . . . . . . . . . . . . 21.5 p -112.19 97.5 39.3 Favored Pre-proline 0 N--CA 1.474 0.748 0 C-N-CA 126.087 1.755 . . . . 0.0 110.336 -179.97 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 28' ' ' PRO . . . . . . . . . . . . . 97.2 Cg_endo -74.95 159.07 41.96 Favored 'Trans proline' 0 C--N 1.35 0.615 0 C-N-CA 123.325 2.683 . . . . 0.0 111.681 178.088 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 30.4 mtpp -134.74 156.38 48.93 Favored 'General case' 0 CA--C 1.546 0.814 0 C-N-CA 125.185 1.394 . . . . 0.0 112.108 -178.899 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 30' ' ' THR . . . . . . . . . . . . . 18.9 m . . . . . 0 C--O 1.253 1.253 0 C-N-CA 125.994 1.718 . . . . 0.0 112.261 178.804 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.482 1.707 0 CA-C-O 121.199 0.333 . . . . 0.0 112.941 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 7.9 tp -67.1 -39.35 83.03 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.174 0 C-N-CA 124.856 1.262 . . . . 0.0 113.97 -172.961 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 96.5 t -64.7 -43.93 96.57 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.188 0 O-C-N 121.417 -0.802 . . . . 0.0 111.086 -177.087 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 17.3 pt-20 -74.6 0.54 14.63 Favored 'General case' 0 CA--C 1.546 0.806 0 N-CA-C 113.649 0.981 . . . . 0.0 113.649 177.46 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 14.6 tp60 -99.75 -56.78 2.3 Favored 'General case' 0 CA--C 1.537 0.443 0 C-N-CA 123.972 0.909 . . . . 0.0 110.363 164.947 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 55.7 m -87.37 -30.2 20.95 Favored 'General case' 0 N--CA 1.468 0.438 0 N-CA-C 115.483 1.661 . . . . 0.0 115.483 -167.28 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 36.4 t -81.08 -25.31 37.13 Favored 'General case' 0 N--CA 1.476 0.846 0 O-C-N 120.938 -1.101 . . . . 0.0 113.534 -179.223 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 5.7 t -91.77 -19.21 22.83 Favored 'General case' 0 N--CA 1.474 0.73 0 C-N-CA 124.699 1.2 . . . . 0.0 113.852 -179.722 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 87.2 p -158.86 168.75 25.98 Favored 'General case' 0 CA--C 1.54 0.589 0 C-N-CA 124.167 0.987 . . . . 0.0 112.63 -171.426 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 26.8 mm -59.55 125.71 16.07 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.696 0 O-C-N 121.459 -0.776 . . . . 0.0 109.609 171.77 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 14.2 p -122.27 153.4 38.94 Favored 'General case' 0 CA--C 1.535 0.37 0 CA-C-O 121.625 0.726 . . . . 0.0 112.235 168.688 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 37.9 m -115.54 154.82 28.68 Favored 'General case' 0 N--CA 1.469 0.499 0 C-N-CA 124.156 0.983 . . . . 0.0 113.097 -172.15 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . 0.536 ' H ' HD23 ' A' ' 13' ' ' LEU . 1.6 pt? -57.76 -39.68 77.98 Favored 'General case' 0 N--CA 1.464 0.231 0 C-N-CA 123.747 0.819 . . . . 0.0 112.325 -172.481 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 21.8 p90 -70.21 -12.45 61.61 Favored 'General case' 0 CA--C 1.537 0.475 0 C-N-CA 125.283 1.433 . . . . 0.0 114.136 -174.176 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 3.9 pt20 -118.28 -26.22 6.36 Favored 'General case' 0 CA--C 1.533 0.316 0 C-N-CA 124.237 1.015 . . . . 0.0 111.096 -179.589 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -77.22 -29.85 54.35 Favored 'General case' 0 CA--C 1.547 0.864 0 CA-C-N 119.165 0.893 . . . . 0.0 111.887 178.736 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 19.4 mt-10 -54.91 -32.66 61.34 Favored 'General case' 0 N--CA 1.48 1.026 0 C-N-CA 124.035 0.934 . . . . 0.0 111.774 168.437 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 1.3 t-20 -59.67 -23.06 62.76 Favored 'General case' 0 CA--C 1.54 0.572 0 C-N-CA 124.005 0.922 . . . . 0.0 113.285 -177.318 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 82.1 m-85 -87.75 -16.15 35.03 Favored 'General case' 0 CA--C 1.542 0.645 0 C-N-CA 125.276 1.43 . . . . 0.0 113.291 176.398 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 11.2 t -79.33 -30.23 42.67 Favored 'General case' 0 CA--C 1.541 0.615 0 C-N-CA 124.238 1.015 . . . . 0.0 111.95 170.042 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 11.9 m-80 . . . . . 0 C--O 1.254 1.297 0 C-N-CA 126.006 1.722 . . . . 0.0 112.819 -178.946 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' B' B ' 1' ' ' PHE . . . . . . . . . . . . . 51.4 t80 . . . . . 0 N--CA 1.487 1.415 0 N-CA-C 111.112 0.041 . . . . 0.0 111.112 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' B' B ' 2' ' ' VAL . . . . . . . . . . . . . 10.0 p -146.55 134.64 15.5 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.813 0 C-N-CA 125.47 1.508 . . . . 0.0 108.713 165.698 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 3' ' ' ASN . . . . . . . . . . . . . 69.2 m-20 -63.7 117.34 6.72 Favored 'General case' 0 CA--C 1.538 0.492 0 C-N-CA 123.108 0.563 . . . . 0.0 109.627 178.103 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 4' ' ' GLN . . . . . . . . . . . . . 24.9 pt20 -157.84 178.89 9.74 Favored 'General case' 0 CA--C 1.534 0.333 0 CA-C-O 121.485 0.66 . . . . 0.0 112.646 -165.209 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 5' ' ' HIS . . . . . . . . . . . . . 73.7 m-70 -82.32 132.96 35.22 Favored 'General case' 0 CA--C 1.543 0.68 0 C-N-CA 124.605 1.162 . . . . 0.0 110.71 168.854 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 80.3 mt -140.36 126.36 19.59 Favored 'General case' 0 N--CA 1.469 0.523 0 C-N-CA 124.792 1.237 . . . . 0.0 111.505 -173.772 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 7' ' ' CYS . . . . . . . . . . . . . 61.1 m -135.43 142.62 45.63 Favored 'General case' 0 N--CA 1.471 0.601 0 C-N-CA 124.962 1.305 . . . . 0.0 110.361 178.875 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 8' ' ' GLY . . . . . . . . . . . . . . . 55.47 -121.59 23.29 Favored Glycine 0 N--CA 1.474 1.167 0 C-N-CA 124.049 0.833 . . . . 0.0 113.418 170.482 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 9' ' ' SER . . . . . . . . . . . . . 20.7 m -54.04 -40.55 67.2 Favored 'General case' 0 N--CA 1.47 0.557 0 C-N-CA 124.502 1.121 . . . . 0.0 112.711 177.741 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 10' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -63.39 -37.65 88.09 Favored 'General case' 0 N--CA 1.472 0.627 0 O-C-N 121.219 -0.926 . . . . 0.0 112.102 176.63 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 17.3 tp -70.97 -43.07 68.83 Favored 'General case' 0 CA--C 1.538 0.507 0 C-N-CA 124.383 1.073 . . . . 0.0 111.036 178.508 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 76.6 t -60.47 -43.76 94.9 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.05 0 C-N-CA 123.961 0.904 . . . . 0.0 111.339 171.772 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 23.5 mt-10 -59.3 -43.36 92.61 Favored 'General case' 0 N--CA 1.466 0.36 0 C-N-CA 124.012 0.925 . . . . 0.0 112.18 173.929 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 14' ' ' ALA . . . . . 0.43 ' O ' HG23 ' B' ' 18' ' ' VAL . . . -62.77 -49.85 73.35 Favored 'General case' 0 N--CA 1.453 -0.295 0 O-C-N 121.207 -0.933 . . . . 0.0 111.521 176.209 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 4.0 mm? -55.65 -37.55 68.4 Favored 'General case' 0 N--CA 1.471 0.591 0 CA-C-N 119.232 0.924 . . . . 0.0 112.097 177.8 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 16' ' ' TYR . . . . . . . . . . . . . 83.8 t80 -59.71 -50.41 73.95 Favored 'General case' 0 N--CA 1.468 0.451 0 CA-C-N 119.112 0.869 . . . . 0.0 112.093 169.058 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 97.5 mt -63.0 -42.23 99.79 Favored 'General case' 0 CA--C 1.536 0.417 0 N-CA-C 113.101 0.778 . . . . 0.0 113.101 -178.606 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 18' ' ' VAL . . . . . 0.43 HG23 ' O ' ' B' ' 14' ' ' ALA . 0.0 OUTLIER -84.61 -36.95 12.17 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.296 0 CA-C-N 119.117 0.871 . . . . 0.0 113.343 -177.026 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' B' B ' 19' ' ' CYS . . . . . . . . . . . . . 13.3 t -113.89 -29.0 7.19 Favored 'General case' 0 CA--C 1.542 0.654 0 N-CA-C 114.783 1.401 . . . . 0.0 114.783 -167.844 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . -90.9 -66.2 1.18 Allowed Glycine 0 N--CA 1.474 1.184 0 C-N-CA 124.502 1.048 . . . . 0.0 112.207 -179.578 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 34.3 tp10 -80.29 -21.05 43.03 Favored 'General case' 0 CA--C 1.544 0.747 0 C-N-CA 126.204 1.801 . . . . 0.0 112.443 176.934 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 22' ' ' ARG . . . . . . . . . . . . . 25.4 mtp180 46.43 55.19 7.74 Favored 'General case' 0 CA--C 1.543 0.708 0 C-N-CA 127.823 2.449 . . . . 0.0 113.633 176.856 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . -82.2 -35.09 21.87 Favored Glycine 0 N--CA 1.472 1.067 0 C-N-CA 125.978 1.751 . . . . 0.0 114.18 -179.179 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 24' ' ' HIS . . . . . . . . . . . . . 93.0 m-70 57.4 -133.16 1.29 Allowed 'General case' 0 CA--C 1.554 1.12 0 C-N-CA 126.184 1.794 . . . . 0.0 114.277 177.659 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 25' ' ' PHE . . . . . . . . . . . . . 77.8 t80 -150.07 146.88 27.2 Favored 'General case' 0 CA--C 1.54 0.567 0 C-N-CA 126.549 1.939 . . . . 0.0 110.334 -179.306 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 26' ' ' TYR . . . . . . . . . . . . . 72.1 t80 -148.7 151.27 34.63 Favored 'General case' 0 CA--C 1.54 0.581 0 C-N-CA 125.531 1.532 . . . . 0.0 111.985 -176.729 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 27' ' ' THR . . . . . . . . . . . . . 18.8 p -127.29 124.14 23.58 Favored Pre-proline 0 N--CA 1.474 0.752 0 C-N-CA 125.894 1.677 . . . . 0.0 108.982 171.683 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 28' ' ' PRO . . . . . . . . . . . . . 66.7 Cg_endo -81.9 159.48 18.51 Favored 'Trans proline' 0 C--N 1.35 0.64 0 C-N-CA 123.16 2.573 . . . . 0.0 112.198 -172.714 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 7.1 ttpp -83.05 25.53 0.68 Allowed 'General case' 0 CA--C 1.554 1.108 0 C-N-CA 124.942 1.297 . . . . 0.0 113.705 -178.696 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 30' ' ' THR . . . . . . . . . . . . . 25.7 m . . . . . 0 C--O 1.253 1.256 0 C-N-CA 126.617 1.967 . . . . 0.0 112.501 -178.187 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.479 1.533 0 CA-C-O 121.373 0.43 . . . . 0.0 112.603 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 6.8 tp -71.47 -32.17 45.38 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.045 0 N-CA-C 114.126 1.158 . . . . 0.0 114.126 -173.265 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 60.1 t -61.93 -43.19 97.15 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.091 0 O-C-N 121.318 -0.864 . . . . 0.0 109.813 179.41 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 2.4 mp0 -69.39 -6.97 33.43 Favored 'General case' 0 CA--C 1.546 0.799 0 C-N-CA 124.858 1.263 . . . . 0.0 113.491 176.844 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 19.5 tp60 -106.28 -33.36 7.81 Favored 'General case' 0 CA--C 1.539 0.557 0 C-N-CA 124.44 1.096 . . . . 0.0 112.714 176.49 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -117.02 -20.19 9.44 Favored 'General case' 0 N--CA 1.479 0.983 0 N-CA-C 116.481 2.03 . . . . 0.0 116.481 -173.715 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 49.2 t -82.9 -34.86 26.54 Favored 'General case' 0 N--CA 1.478 0.973 0 O-C-N 121.093 -1.004 . . . . 0.0 113.589 175.632 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 6.2 t -78.37 -31.04 48.27 Favored 'General case' 0 N--CA 1.478 0.947 0 C-N-CA 125.045 1.338 . . . . 0.0 112.96 179.765 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 98.9 p -162.69 167.63 22.81 Favored 'General case' 0 CA--C 1.537 0.473 0 C-N-CA 127.158 2.183 . . . . 0.0 109.904 -174.989 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 21.3 mt -72.84 126.05 32.78 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.615 0 O-C-N 121.145 -0.972 . . . . 0.0 111.447 -170.775 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 9.1 p -102.35 142.76 33.04 Favored 'General case' 0 CA--C 1.539 0.523 0 C-N-CA 123.424 0.689 . . . . 0.0 111.276 165.41 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 11.6 p -82.54 160.33 22.62 Favored 'General case' 0 C--O 1.236 0.36 0 CA-C-O 122.131 0.967 . . . . 0.0 111.822 167.177 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . 0.473 ' H ' HD23 ' A' ' 13' ' ' LEU . 1.8 pt? -54.41 -39.73 67.57 Favored 'General case' 0 CA--C 1.531 0.224 0 C-N-CA 123.164 0.585 . . . . 0.0 111.893 174.649 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 12.4 p90 -72.1 -12.76 61.35 Favored 'General case' 0 C--O 1.233 0.221 0 N-CA-C 114.363 1.246 . . . . 0.0 114.363 -169.233 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 15.8 pt20 -110.09 -25.78 10.03 Favored 'General case' 0 CA--C 1.532 0.277 0 C-N-CA 123.914 0.886 . . . . 0.0 110.855 176.895 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . 0.584 HD11 HG21 ' B' ' 18' ' ' VAL . 0.3 OUTLIER -77.34 -27.42 52.75 Favored 'General case' 0 CA--C 1.546 0.807 0 CA-C-N 118.871 0.759 . . . . 0.0 111.674 176.856 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 29.8 mt-10 -50.99 -32.48 21.3 Favored 'General case' 0 N--CA 1.48 1.07 0 C-N-CA 124.889 1.275 . . . . 0.0 111.795 167.46 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 1.1 t-20 -64.44 -17.87 64.21 Favored 'General case' 0 CA--C 1.542 0.644 0 C-N-CA 124.809 1.243 . . . . 0.0 113.393 -176.675 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 82.3 m-85 -95.43 1.24 54.06 Favored 'General case' 0 CA--C 1.547 0.837 0 C-N-CA 126.485 1.914 . . . . 0.0 113.284 177.718 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 42.6 t -67.26 -33.02 74.45 Favored 'General case' 0 N--CA 1.474 0.726 0 C-N-CA 124.667 1.187 . . . . 0.0 113.288 176.913 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--O 1.252 1.203 0 C-N-CA 125.939 1.695 . . . . 0.0 113.013 177.128 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 1' ' ' PHE . . . . . . . . . . . . . 71.5 t80 . . . . . 0 N--CA 1.487 1.401 0 CA-C-O 119.832 -0.128 . . . . 0.0 110.849 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' B' B ' 2' ' ' VAL . . . . . . . . . . . . . 85.3 t -130.59 124.68 57.49 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.864 0 C-N-CA 125.179 1.392 . . . . 0.0 108.198 170.131 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 3' ' ' ASN . . . . . . . . . . . . . 3.6 m-80 -67.06 111.03 3.64 Favored 'General case' 0 CA--C 1.541 0.627 0 C-N-CA 123.118 0.567 . . . . 0.0 109.77 170.514 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 4' ' ' GLN . . . . . . . . . . . . . 25.5 pt20 -161.2 175.91 11.83 Favored 'General case' 0 CA--C 1.536 0.411 0 C-N-CA 126.385 1.874 . . . . 0.0 109.877 -174.433 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 5' ' ' HIS . . . . . . . . . . . . . 76.7 m-70 -80.53 127.97 33.06 Favored 'General case' 0 CA--C 1.54 0.579 0 C-N-CA 123.356 0.662 . . . . 0.0 110.116 173.006 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 96.5 mt -129.52 132.49 46.88 Favored 'General case' 0 N--CA 1.468 0.451 0 C-N-CA 124.342 1.057 . . . . 0.0 110.84 -174.537 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 7' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -154.41 147.07 24.2 Favored 'General case' 0 N--CA 1.467 0.421 0 C-N-CA 123.831 0.852 . . . . 0.0 110.976 -177.589 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 8' ' ' GLY . . . . . . . . . . . . . . . 57.67 -126.47 42.33 Favored Glycine 0 CA--C 1.53 0.971 0 C-N-CA 123.796 0.712 . . . . 0.0 112.755 179.28 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 9' ' ' SER . . . . . . . . . . . . . 8.1 p -50.42 -42.54 54.01 Favored 'General case' 0 N--CA 1.471 0.597 0 C-N-CA 125.196 1.398 . . . . 0.0 113.262 176.045 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 10' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -64.8 -37.41 87.54 Favored 'General case' 0 CA--C 1.541 0.6 0 O-C-N 121.258 -0.901 . . . . 0.0 112.635 178.999 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 15.4 tp -72.35 -43.37 64.17 Favored 'General case' 0 CA--C 1.536 0.412 0 C-N-CA 124.025 0.93 . . . . 0.0 110.925 176.995 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 79.5 t -59.8 -42.9 90.46 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.959 0 C-N-CA 123.981 0.913 . . . . 0.0 111.168 173.614 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 18.8 mt-10 -60.6 -44.66 96.01 Favored 'General case' 0 N--CA 1.468 0.471 0 C-N-CA 123.927 0.891 . . . . 0.0 112.461 174.054 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -61.86 -48.8 78.91 Favored 'General case' 0 CA--C 1.534 0.342 0 CA-C-N 118.892 0.769 . . . . 0.0 111.669 175.885 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 4.1 mm? -58.0 -37.04 73.53 Favored 'General case' 0 N--CA 1.47 0.543 0 CA-C-N 118.784 0.72 . . . . 0.0 111.753 175.969 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 16' ' ' TYR . . . . . . . . . . . . . 80.4 t80 -58.49 -41.74 85.99 Favored 'General case' 0 CA--C 1.537 0.442 0 CA-C-N 120.479 1.491 . . . . 0.0 112.164 172.325 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 93.4 mt -71.48 -48.1 51.29 Favored 'General case' 0 CA--C 1.542 0.64 0 CA-C-O 118.904 -0.569 . . . . 0.0 112.43 179.875 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 18' ' ' VAL . . . . . 0.584 HG21 HD11 ' A' ' 16' ' ' LEU . 0.0 OUTLIER -82.51 -29.52 8.97 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.55 0 N-CA-C 113.722 1.008 . . . . 0.0 113.722 -175.725 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' B' B ' 19' ' ' CYS . . . . . . . . . . . . . 53.6 t -114.74 -44.43 3.06 Favored 'General case' 0 CA--C 1.54 0.59 0 C-N-CA 124.313 1.045 . . . . 0.0 113.308 -173.703 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . -77.2 -48.88 7.88 Favored Glycine 0 N--CA 1.476 1.303 0 C-N-CA 123.757 0.694 . . . . 0.0 113.951 -169.684 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 34.6 tt0 -66.57 -16.97 64.56 Favored 'General case' 0 CA--C 1.544 0.724 0 C-N-CA 125.377 1.471 . . . . 0.0 112.925 -178.416 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 22' ' ' ARG . . . . . . . . . . . . . 41.2 mmm-85 -61.31 -23.18 65.53 Favored 'General case' 0 CA--C 1.543 0.706 0 C-N-CA 125.082 1.353 . . . . 0.0 113.279 178.13 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . -91.21 25.65 14.0 Favored Glycine 0 N--CA 1.473 1.11 0 C-N-CA 125.903 1.716 . . . . 0.0 115.106 -178.776 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 24' ' ' HIS . . . . . . . . . . . . . 23.1 p80 -66.29 -24.64 66.59 Favored 'General case' 0 CA--C 1.551 0.984 0 N-CA-C 114.552 1.316 . . . . 0.0 114.552 -179.71 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 25' ' ' PHE . . . . . . . . . . . . . 64.9 t80 -73.11 151.47 41.59 Favored 'General case' 0 CA--C 1.542 0.653 0 C-N-CA 124.806 1.243 . . . . 0.0 112.426 -175.883 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 26' ' ' TYR . . . . . . . . . . . . . 59.5 t80 -67.13 150.44 49.15 Favored 'General case' 0 CA--C 1.544 0.739 0 N-CA-C 113.836 1.05 . . . . 0.0 113.836 -178.429 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 27' ' ' THR . . . . . . . . . . . . . 20.7 p -129.26 124.24 22.05 Favored Pre-proline 0 N--CA 1.475 0.781 0 C-N-CA 125.772 1.629 . . . . 0.0 109.233 171.964 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 28' ' ' PRO . . . . . . . . . . . . . 41.5 Cg_endo -83.74 49.75 2.97 Favored 'Trans proline' 0 CA--C 1.541 0.839 0 C-N-CA 124.296 3.331 . . . . 0.0 111.975 -175.448 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -155.26 117.01 4.07 Favored 'General case' 0 CA--C 1.544 0.728 0 C-N-CA 126.204 1.802 . . . . 0.0 109.983 -174.963 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 30' ' ' THR . . . . . . . . . . . . . 19.5 p . . . . . 0 N--CA 1.483 1.184 0 C-N-CA 125.683 1.593 . . . . 0.0 113.545 -177.979 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.477 1.431 0 N-CA-C 111.721 -0.551 . . . . 0.0 111.721 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 8.0 tp -64.3 -35.66 74.76 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.078 0 N-CA-C 113.733 1.012 . . . . 0.0 113.733 -174.313 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 84.0 t -63.76 -44.93 98.44 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.04 0 CA-C-N 119.131 0.878 . . . . 0.0 110.027 178.297 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 46.0 mp0 -71.87 -3.52 22.88 Favored 'General case' 0 CA--C 1.545 0.788 0 C-N-CA 124.719 1.208 . . . . 0.0 112.942 176.737 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 9.8 tp-100 -101.18 -55.72 2.48 Favored 'General case' 0 CA--C 1.538 0.482 0 C-N-CA 124.478 1.111 . . . . 0.0 110.921 172.29 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 2.6 t -99.63 -20.1 16.49 Favored 'General case' 0 N--CA 1.473 0.678 0 N-CA-C 115.468 1.655 . . . . 0.0 115.468 -167.932 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 34.2 t -81.11 -26.61 36.04 Favored 'General case' 0 N--CA 1.477 0.877 0 O-C-N 120.752 -1.217 . . . . 0.0 113.228 174.005 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 5.9 t -83.79 -32.97 25.07 Favored 'General case' 0 N--CA 1.475 0.808 0 C-N-CA 124.368 1.067 . . . . 0.0 112.918 178.12 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 94.1 p -154.55 170.95 20.26 Favored 'General case' 0 CA--C 1.545 0.767 0 C-N-CA 124.964 1.306 . . . . 0.0 112.48 -175.482 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 20.2 mm -57.19 133.17 21.81 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.959 0 O-C-N 121.102 -0.999 . . . . 0.0 110.967 179.862 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 2.6 p -126.7 161.75 27.4 Favored 'General case' 0 N--CA 1.472 0.669 0 N-CA-C 113.839 1.052 . . . . 0.0 113.839 165.669 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 51.5 m -117.57 155.28 30.08 Favored 'General case' 0 N--CA 1.47 0.559 0 C-N-CA 125.625 1.57 . . . . 0.0 112.505 -176.668 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . 0.555 ' H ' HD23 ' A' ' 13' ' ' LEU . 1.6 pt? -57.03 -42.68 80.87 Favored 'General case' 0 N--CA 1.463 0.215 0 C-N-CA 124.292 1.037 . . . . 0.0 112.164 -173.611 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 21.6 p90 -67.33 -12.21 59.6 Favored 'General case' 0 CA--C 1.536 0.429 0 C-N-CA 125.198 1.399 . . . . 0.0 114.718 -173.766 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 3.8 pt20 -118.69 -30.5 5.1 Favored 'General case' 0 CA--C 1.533 0.312 0 C-N-CA 124.362 1.065 . . . . 0.0 110.655 -178.335 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . 0.512 HD11 HG21 ' B' ' 18' ' ' VAL . 0.2 OUTLIER -69.46 -33.68 73.26 Favored 'General case' 0 CA--C 1.549 0.93 0 CA-C-N 119.048 0.84 . . . . 0.0 111.184 174.833 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 17.1 mt-10 -46.58 -39.31 10.84 Favored 'General case' 0 N--CA 1.48 1.042 0 C-N-CA 126.131 1.772 . . . . 0.0 112.107 169.202 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 1.3 t-20 -63.26 -18.33 63.44 Favored 'General case' 0 CA--C 1.54 0.58 0 C-N-CA 125.392 1.477 . . . . 0.0 113.955 -173.994 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 85.5 m-85 -91.46 -6.57 52.48 Favored 'General case' 0 CA--C 1.541 0.627 0 C-N-CA 125.772 1.629 . . . . 0.0 113.782 178.661 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 38.8 t -68.57 -32.63 72.68 Favored 'General case' 0 N--CA 1.474 0.767 0 N-CA-C 113.241 0.83 . . . . 0.0 113.241 -178.478 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--O 1.252 1.199 0 C-N-CA 125.644 1.577 . . . . 0.0 113.202 178.672 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 1' ' ' PHE . . . . . . . . . . . . . 53.2 t80 . . . . . 0 N--CA 1.486 1.348 0 CA-C-O 119.658 -0.211 . . . . 0.0 110.714 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' B' B ' 2' ' ' VAL . . . . . . . . . . . . . 92.8 t -131.11 123.66 54.13 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.018 0 C-N-CA 124.916 1.286 . . . . 0.0 108.81 172.148 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 3' ' ' ASN . . . . . . . . . . . . . 5.8 m120 -67.05 111.57 3.93 Favored 'General case' 0 CA--C 1.541 0.628 0 C-N-CA 124.928 1.291 . . . . 0.0 109.402 177.377 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 4' ' ' GLN . . . . . . . . . . . . . 16.2 pt20 -157.17 179.29 9.42 Favored 'General case' 0 CA--C 1.536 0.423 0 O-C-N 121.591 -0.693 . . . . 0.0 112.4 -167.681 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 5' ' ' HIS . . . . . . . . . . . . . 64.6 m-70 -83.87 132.46 34.79 Favored 'General case' 0 CA--C 1.543 0.694 0 C-N-CA 124.585 1.154 . . . . 0.0 110.154 167.742 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 91.8 mt -134.52 129.71 35.53 Favored 'General case' 0 N--CA 1.47 0.535 0 C-N-CA 124.503 1.121 . . . . 0.0 110.876 -176.144 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 7' ' ' CYS . . . . . . . . . . . . . 66.7 m -137.27 143.77 42.37 Favored 'General case' 0 N--CA 1.471 0.595 0 C-N-CA 125.092 1.357 . . . . 0.0 110.408 -178.925 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 8' ' ' GLY . . . . . . . . . . . . . . . 54.74 -122.69 26.17 Favored Glycine 0 N--CA 1.473 1.147 0 C-N-CA 124.148 0.88 . . . . 0.0 113.297 170.439 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 9' ' ' SER . . . . . . . . . . . . . 20.3 m -54.05 -39.71 66.48 Favored 'General case' 0 N--CA 1.469 0.51 0 C-N-CA 124.622 1.169 . . . . 0.0 112.84 178.318 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 10' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -64.69 -36.04 83.0 Favored 'General case' 0 CA--C 1.54 0.591 0 O-C-N 121.278 -0.889 . . . . 0.0 112.292 177.157 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 16.1 tp -74.24 -42.14 60.18 Favored 'General case' 0 CA--C 1.539 0.55 0 C-N-CA 124.664 1.186 . . . . 0.0 111.066 178.332 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 68.9 t -60.59 -43.32 94.38 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.08 0 C-N-CA 124.355 1.062 . . . . 0.0 111.36 171.331 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 20.7 mt-10 -57.65 -48.24 80.03 Favored 'General case' 0 N--CA 1.465 0.305 0 C-N-CA 123.482 0.713 . . . . 0.0 111.568 171.901 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 14' ' ' ALA . . . . . 0.564 ' O ' HG22 ' B' ' 18' ' ' VAL . . . -58.77 -48.22 81.99 Favored 'General case' 0 CA--C 1.534 0.335 0 CA-C-N 119.27 0.941 . . . . 0.0 112.189 177.807 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 3.8 mm? -55.38 -36.83 66.8 Favored 'General case' 0 N--CA 1.471 0.616 0 C-N-CA 123.535 0.734 . . . . 0.0 112.16 176.276 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 16' ' ' TYR . . . . . . . . . . . . . 81.7 t80 -63.27 -44.33 95.42 Favored 'General case' 0 CA--C 1.537 0.452 0 O-C-N 121.446 -0.784 . . . . 0.0 112.182 171.13 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 86.0 mt -65.06 -51.27 62.44 Favored 'General case' 0 N--CA 1.468 0.472 0 CA-C-N 119.203 0.91 . . . . 0.0 111.959 179.375 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 18' ' ' VAL . . . . . 0.564 HG22 ' O ' ' B' ' 14' ' ' ALA . 0.0 OUTLIER -71.03 -42.15 76.68 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.019 0 N-CA-C 112.853 0.686 . . . . 0.0 112.853 -176.939 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' B' B ' 19' ' ' CYS . . . . . . . . . . . . . 13.9 t -116.98 -33.35 4.76 Favored 'General case' 0 N--CA 1.473 0.693 0 N-CA-C 114.43 1.27 . . . . 0.0 114.43 -167.915 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . -76.38 -58.48 3.6 Favored Glycine 0 N--CA 1.472 1.094 0 C-N-CA 123.848 0.737 . . . . 0.0 112.172 -176.482 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 38.8 tt0 -75.37 -41.54 56.18 Favored 'General case' 0 CA--C 1.538 0.511 0 C-N-CA 125.47 1.508 . . . . 0.0 111.335 174.668 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 22' ' ' ARG . . . . . . . . . . . . . 5.6 ttp-105 58.45 32.59 22.28 Favored 'General case' 0 CA--C 1.545 0.776 0 C-N-CA 125.64 1.576 . . . . 0.0 115.078 171.798 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . 87.11 -179.22 48.35 Favored Glycine 0 N--CA 1.473 1.144 0 C-N-CA 125.834 1.683 . . . . 0.0 113.93 177.49 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 24' ' ' HIS . . . . . . . . . . . . . 28.7 p80 -67.06 -22.68 65.84 Favored 'General case' 0 CA--C 1.551 0.983 0 N-CA-C 113.912 1.078 . . . . 0.0 113.912 178.864 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 25' ' ' PHE . . . . . . . . . . . . . 85.5 t80 -161.71 135.73 6.74 Favored 'General case' 0 CA--C 1.536 0.432 0 C-N-CA 126.974 2.11 . . . . 0.0 109.791 178.121 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 26' ' ' TYR . . . . . . . . . . . . . 55.4 t80 -107.87 148.58 29.39 Favored 'General case' 0 CA--C 1.541 0.616 0 C-N-CA 124.548 1.139 . . . . 0.0 112.894 -178.987 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 27' ' ' THR . . . . . . . . . . . . . 20.5 p -125.32 116.2 25.44 Favored Pre-proline 0 N--CA 1.472 0.666 0 C-N-CA 126.041 1.736 . . . . 0.0 109.041 172.799 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 28' ' ' PRO . . . . . . . . . . . . . 93.9 Cg_endo -77.95 160.26 30.49 Favored 'Trans proline' 0 CA--C 1.537 0.63 0 C-N-CA 123.215 2.61 . . . . 0.0 111.723 -177.036 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 3.6 ttmp? -68.59 134.25 49.71 Favored 'General case' 0 CA--C 1.547 0.836 0 C-N-CA 123.76 0.824 . . . . 0.0 112.002 178.71 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 30' ' ' THR . . . . . . . . . . . . . 19.0 p . . . . . 0 C--O 1.253 1.275 0 C-N-CA 125.78 1.632 . . . . 0.0 113.398 179.022 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.483 1.806 0 N-CA-C 112.041 -0.424 . . . . 0.0 112.041 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 6.4 tp -61.51 -35.24 65.61 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.235 0 C-N-CA 124.772 1.229 . . . . 0.0 113.663 -171.952 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 87.3 t -63.14 -43.3 98.81 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.06 0 O-C-N 121.483 -0.76 . . . . 0.0 110.422 174.808 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 36.2 tt0 -73.58 -7.9 53.79 Favored 'General case' 0 CA--C 1.548 0.887 0 C-N-CA 124.015 0.926 . . . . 0.0 112.608 175.583 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 46.4 tp60 -93.9 -40.36 10.19 Favored 'General case' 0 CA--C 1.538 0.499 0 O-C-N 121.058 -1.027 . . . . 0.0 112.278 172.662 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -120.84 -17.68 7.84 Favored 'General case' 0 N--CA 1.479 1.012 0 N-CA-C 117.263 2.32 . . . . 0.0 117.263 -171.231 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 43.1 t -84.96 -38.02 19.8 Favored 'General case' 0 N--CA 1.481 1.083 0 O-C-N 120.789 -1.194 . . . . 0.0 113.48 176.284 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 6.1 t -74.12 -30.63 62.41 Favored 'General case' 0 N--CA 1.478 0.963 0 C-N-CA 124.751 1.221 . . . . 0.0 112.741 179.624 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 89.3 p -165.45 168.43 16.64 Favored 'General case' 0 CA--C 1.538 0.487 0 C-N-CA 127.393 2.277 . . . . 0.0 110.003 -175.119 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 17.2 mt -73.38 128.19 35.82 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.669 0 O-C-N 121.111 -0.993 . . . . 0.0 112.075 -170.303 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 14.6 p -99.47 170.17 8.8 Favored 'General case' 0 CA--C 1.54 0.579 0 C-N-CA 124.14 0.976 . . . . 0.0 112.935 170.07 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 66.6 m -116.12 153.82 31.08 Favored 'General case' 0 N--CA 1.468 0.443 0 C-N-CA 124.819 1.248 . . . . 0.0 111.746 171.555 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . 0.537 ' H ' HD23 ' A' ' 13' ' ' LEU . 1.6 pt? -54.66 -42.93 71.9 Favored 'General case' 0 N--CA 1.464 0.253 0 C-N-CA 124.141 0.977 . . . . 0.0 112.272 -175.722 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 29.8 p90 -67.34 -20.07 65.53 Favored 'General case' 0 CA--C 1.534 0.359 0 N-CA-C 113.582 0.956 . . . . 0.0 113.582 -173.261 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 3.4 pt20 -107.29 -23.89 12.08 Favored 'General case' 0 CA--C 1.532 0.271 0 C-N-CA 123.948 0.899 . . . . 0.0 111.065 179.815 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . 0.609 HD11 HG21 ' B' ' 18' ' ' VAL . 0.2 OUTLIER -75.95 -32.54 59.59 Favored 'General case' 0 CA--C 1.548 0.875 0 CA-C-N 119.308 0.958 . . . . 0.0 111.512 173.639 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 33.2 mt-10 -53.49 -36.34 61.58 Favored 'General case' 0 N--CA 1.481 1.087 0 C-N-CA 125.196 1.398 . . . . 0.0 111.628 171.18 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 7.6 m-80 -64.74 -11.9 41.32 Favored 'General case' 0 CA--C 1.547 0.842 0 C-N-CA 124.165 0.986 . . . . 0.0 113.58 -178.299 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 89.3 m-85 -92.5 -17.29 24.69 Favored 'General case' 0 CA--C 1.542 0.639 0 C-N-CA 124.936 1.294 . . . . 0.0 113.397 171.63 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 13.5 t -77.81 -31.63 51.83 Favored 'General case' 0 CA--C 1.542 0.653 0 C-N-CA 123.761 0.825 . . . . 0.0 111.842 167.81 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 11.6 m-80 . . . . . 0 C--O 1.253 1.257 0 C-N-CA 125.801 1.64 . . . . 0.0 112.722 179.416 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' B' B ' 1' ' ' PHE . . . . . . . . . . . . . 80.4 t80 . . . . . 0 N--CA 1.487 1.382 0 CA-C-O 119.6 -0.238 . . . . 0.0 110.599 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' B' B ' 2' ' ' VAL . . . . . . . . . . . . . 97.7 t -126.95 116.41 44.59 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.958 0 C-N-CA 124.748 1.219 . . . . 0.0 108.199 169.635 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 3' ' ' ASN . . . . . . . . . . . . . 9.1 m120 -66.25 114.24 5.19 Favored 'General case' 0 CA--C 1.539 0.556 0 C-N-CA 123.694 0.798 . . . . 0.0 109.908 173.328 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 4' ' ' GLN . . . . . . . . . . . . . 19.3 pt20 -160.9 -178.11 6.59 Favored 'General case' 0 CA--C 1.536 0.414 0 C-N-CA 125.82 1.648 . . . . 0.0 109.979 -173.277 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 5' ' ' HIS . . . . . . . . . . . . . 80.0 m-70 -85.89 125.09 33.07 Favored 'General case' 0 CA--C 1.541 0.602 0 C-N-CA 123.468 0.707 . . . . 0.0 110.06 172.235 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 95.7 mt -127.95 130.36 48.31 Favored 'General case' 0 N--CA 1.467 0.384 0 C-N-CA 124.795 1.238 . . . . 0.0 110.486 -175.05 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 7' ' ' CYS . . . . . . . . . . . . . 0.6 OUTLIER -149.94 147.39 27.83 Favored 'General case' 0 N--CA 1.468 0.475 0 C-N-CA 123.685 0.794 . . . . 0.0 111.453 -178.416 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 8' ' ' GLY . . . . . . . . . . . . . . . 55.55 -125.22 35.93 Favored Glycine 0 CA--C 1.53 0.983 0 C-N-CA 124.036 0.827 . . . . 0.0 112.519 178.287 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 9' ' ' SER . . . . . . . . . . . . . 20.2 m -53.5 -40.35 65.31 Favored 'General case' 0 N--CA 1.469 0.515 0 C-N-CA 124.498 1.119 . . . . 0.0 112.777 177.784 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 10' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -63.94 -36.93 85.57 Favored 'General case' 0 CA--C 1.543 0.684 0 O-C-N 121.23 -0.918 . . . . 0.0 112.462 178.5 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 17.5 tp -72.16 -44.85 62.43 Favored 'General case' 0 CA--C 1.536 0.421 0 C-N-CA 124.697 1.199 . . . . 0.0 110.652 177.812 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 72.4 t -59.6 -43.6 91.43 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.05 0 C-N-CA 124.003 0.921 . . . . 0.0 111.294 173.183 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 23.3 mt-10 -59.2 -44.93 92.23 Favored 'General case' 0 N--CA 1.467 0.382 0 C-N-CA 124.142 0.977 . . . . 0.0 112.242 174.071 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 14' ' ' ALA . . . . . 0.432 ' O ' HG23 ' B' ' 18' ' ' VAL . . . -61.8 -49.79 74.92 Favored 'General case' 0 N--CA 1.454 -0.267 0 CA-C-N 119.15 0.886 . . . . 0.0 111.15 176.975 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 3.8 mm? -52.67 -41.08 63.51 Favored 'General case' 0 N--CA 1.472 0.627 0 C-N-CA 123.681 0.793 . . . . 0.0 112.156 177.358 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 16' ' ' TYR . . . . . . . . . . . . . 81.8 t80 -60.47 -46.37 90.35 Favored 'General case' 0 CA--C 1.536 0.415 0 O-C-N 121.853 -0.529 . . . . 0.0 112.146 172.732 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 96.0 mt -66.41 -45.49 79.76 Favored 'General case' 0 CA--C 1.537 0.45 0 CA-C-N 118.829 0.74 . . . . 0.0 112.626 179.554 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 18' ' ' VAL . . . . . 0.609 HG21 HD11 ' A' ' 16' ' ' LEU . 0.1 OUTLIER -74.37 -42.23 50.11 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.236 0 CA-C-N 118.882 0.764 . . . . 0.0 111.183 -176.229 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' B' B ' 19' ' ' CYS . . . . . . . . . . . . . 21.2 t -110.23 -41.91 4.29 Favored 'General case' 0 CA--C 1.537 0.455 0 N-CA-C 114.279 1.214 . . . . 0.0 114.279 -167.268 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . -81.07 -61.6 2.1 Favored Glycine 0 N--CA 1.474 1.175 0 C-N-CA 123.997 0.808 . . . . 0.0 112.284 -170.957 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 7.5 tp10 -74.49 -31.96 62.37 Favored 'General case' 0 CA--C 1.54 0.584 0 C-N-CA 125.93 1.692 . . . . 0.0 111.376 171.455 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 22' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 59.63 21.29 9.92 Favored 'General case' 0 CA--C 1.547 0.864 0 C-N-CA 125.568 1.547 . . . . 0.0 113.061 -174.092 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . -119.74 35.44 3.84 Favored Glycine 0 N--CA 1.47 0.922 0 C-N-CA 127.124 2.297 . . . . 0.0 114.022 -170.968 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 24' ' ' HIS . . . . . . . . . . . . . 34.5 p80 -61.98 -13.79 28.94 Favored 'General case' 0 CA--C 1.551 0.987 0 N-CA-C 115.195 1.554 . . . . 0.0 115.195 -179.718 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 25' ' ' PHE . . . . . . . . . . . . . 89.5 t80 -87.2 108.27 18.85 Favored 'General case' 0 CA--C 1.538 0.491 0 C-N-CA 124.631 1.172 . . . . 0.0 110.145 170.777 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 26' ' ' TYR . . . . . . . . . . . . . 7.0 t80 -84.34 147.34 27.23 Favored 'General case' 0 CA--C 1.542 0.645 0 C-N-CA 123.81 0.844 . . . . 0.0 111.742 176.362 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 27' ' ' THR . . . . . 0.554 ' H ' ' HA ' ' B' ' 28' ' ' PRO . 6.0 t -152.9 -13.82 0.0 OUTLIER Pre-proline 0 CA--C 1.554 1.104 0 N-CA-C 118.061 2.615 . . . . 0.0 118.061 -175.319 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 28' ' ' PRO . . . . . 0.554 ' HA ' ' H ' ' B' ' 27' ' ' THR . 86.8 Cg_endo -74.06 153.84 99.34 Favored 'Cis proline' 0 C--N 1.36 1.172 0 CA-C-N 124.78 2.743 . . . . 0.0 113.303 0.283 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 16.1 tppt? -75.96 126.05 30.26 Favored 'General case' 0 CA--C 1.545 0.755 0 C-N-CA 123.214 0.606 . . . . 0.0 110.789 173.208 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 30' ' ' THR . . . . . . . . . . . . . 14.0 t . . . . . 0 C--O 1.253 1.248 0 C-N-CA 126.552 1.941 . . . . 0.0 111.603 -175.457 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.662 0 CA-C-O 121.146 0.303 . . . . 0.0 112.931 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 9.9 tp -68.51 -41.29 83.02 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.237 0 C-N-CA 125.082 1.353 . . . . 0.0 113.589 -173.438 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 77.4 t -63.55 -44.12 98.55 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.265 0 C-N-CA 124.196 0.998 . . . . 0.0 111.086 -176.281 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 17.3 pt-20 -74.45 5.08 5.02 Favored 'General case' 0 CA--C 1.545 0.784 0 N-CA-C 113.574 0.953 . . . . 0.0 113.574 176.843 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -101.48 -62.85 1.2 Allowed 'General case' 0 CA--C 1.54 0.582 0 CA-C-N 118.816 0.734 . . . . 0.0 109.355 157.704 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 38.5 m -79.32 -32.06 43.29 Favored 'General case' 0 N--CA 1.472 0.628 0 N-CA-C 115.235 1.568 . . . . 0.0 115.235 -163.581 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 12.2 t -73.63 -20.68 60.52 Favored 'General case' 0 N--CA 1.472 0.66 0 O-C-N 121.472 -0.767 . . . . 0.0 112.908 177.803 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 9.7 t -105.63 -31.23 9.02 Favored 'General case' 0 N--CA 1.473 0.686 0 C-N-CA 125.288 1.435 . . . . 0.0 113.121 -178.32 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 22.8 m -144.31 172.49 12.85 Favored 'General case' 0 CA--C 1.548 0.895 0 C-N-CA 125.544 1.538 . . . . 0.0 112.984 -175.835 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 21.3 mm -60.31 131.99 25.38 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.964 0 O-C-N 120.673 -1.267 . . . . 0.0 111.021 178.309 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 2.9 m -112.97 155.02 25.5 Favored 'General case' 0 N--CA 1.468 0.432 0 C-N-CA 125.438 1.495 . . . . 0.0 112.346 166.123 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 47.2 m -137.42 151.31 48.39 Favored 'General case' 0 C--O 1.236 0.343 0 C-N-CA 125.91 1.684 . . . . 0.0 110.277 -177.585 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . 0.528 ' H ' HD23 ' A' ' 13' ' ' LEU . 1.7 pt? -56.67 -38.71 72.6 Favored 'General case' 0 N--CA 1.464 0.23 0 C-N-CA 123.83 0.852 . . . . 0.0 112.339 -170.803 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 24.1 p90 -68.67 -12.6 61.59 Favored 'General case' 0 CA--C 1.534 0.364 0 C-N-CA 125.242 1.417 . . . . 0.0 114.389 -175.53 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 3.8 pt20 -119.08 -30.03 5.09 Favored 'General case' 0 C--O 1.222 -0.344 0 C-N-CA 123.37 0.668 . . . . 0.0 111.256 178.541 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . 0.597 HD11 HG21 ' B' ' 18' ' ' VAL . 0.2 OUTLIER -74.04 -30.65 62.52 Favored 'General case' 0 CA--C 1.548 0.868 0 CA-C-N 119.542 1.064 . . . . 0.0 111.4 -177.827 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 23.8 mt-10 -53.16 -29.77 33.4 Favored 'General case' 0 N--CA 1.479 0.982 0 C-N-CA 124.715 1.206 . . . . 0.0 112.796 169.895 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 78.6 m-20 -62.95 -22.21 66.63 Favored 'General case' 0 CA--C 1.539 0.532 0 C-N-CA 123.791 0.836 . . . . 0.0 112.616 -177.799 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 63.5 m-85 -92.08 -11.51 35.58 Favored 'General case' 0 CA--C 1.543 0.709 0 C-N-CA 125.886 1.674 . . . . 0.0 112.8 178.622 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 12.3 t -81.18 -29.11 34.7 Favored 'General case' 0 N--CA 1.473 0.702 0 C-N-CA 123.579 0.752 . . . . 0.0 111.828 165.915 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 12.6 m-80 . . . . . 0 C--O 1.254 1.336 0 C-N-CA 125.683 1.593 . . . . 0.0 112.844 179.453 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' B' B ' 1' ' ' PHE . . . . . . . . . . . . . 38.7 t80 . . . . . 0 N--CA 1.487 1.417 0 CA-C-O 119.887 -0.101 . . . . 0.0 110.738 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' B' B ' 2' ' ' VAL . . . . . . . . . . . . . 3.3 p -138.77 123.41 21.4 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.945 0 C-N-CA 125.183 1.393 . . . . 0.0 110.191 173.773 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 3' ' ' ASN . . . . . . . . . . . . . 72.9 m-20 -78.8 118.03 20.47 Favored 'General case' 0 CA--C 1.537 0.443 0 N-CA-C 109.164 -0.68 . . . . 0.0 109.164 173.88 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 4' ' ' GLN . . . . . . . . . . . . . 13.2 pt20 -165.93 -178.13 4.58 Favored 'General case' 0 CA--C 1.537 0.453 0 C-N-CA 124.202 1.001 . . . . 0.0 111.818 -171.609 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 5' ' ' HIS . . . . . . . . . . . . . 70.7 m-70 -77.66 137.98 38.83 Favored 'General case' 0 CA--C 1.544 0.728 0 C-N-CA 124.366 1.067 . . . . 0.0 109.882 167.484 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 80.1 mt -143.76 133.32 23.56 Favored 'General case' 0 N--CA 1.472 0.627 0 C-N-CA 124.716 1.206 . . . . 0.0 110.631 -172.916 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 7' ' ' CYS . . . . . . . . . . . . . 2.6 t -155.42 147.71 23.78 Favored 'General case' 0 N--CA 1.47 0.527 0 C-N-CA 123.56 0.744 . . . . 0.0 111.458 179.233 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 8' ' ' GLY . . . . . . . . . . . . . . . 59.99 -129.04 47.5 Favored Glycine 0 CA--C 1.53 1.03 0 C-N-CA 123.808 0.718 . . . . 0.0 112.26 -179.201 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 9' ' ' SER . . . . . . . . . . . . . 20.3 m -54.8 -36.55 65.06 Favored 'General case' 0 N--CA 1.47 0.539 0 C-N-CA 124.566 1.146 . . . . 0.0 112.998 179.131 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 10' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -64.27 -37.85 88.95 Favored 'General case' 0 N--CA 1.472 0.662 0 O-C-N 121.289 -0.882 . . . . 0.0 112.322 176.337 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 15.8 tp -73.68 -43.28 59.77 Favored 'General case' 0 CA--C 1.535 0.381 0 C-N-CA 124.387 1.075 . . . . 0.0 111.212 178.085 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 74.5 t -59.23 -42.74 87.93 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.022 0 C-N-CA 123.988 0.915 . . . . 0.0 110.983 173.04 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 17.7 mm-40 -60.8 -50.5 73.21 Favored 'General case' 0 N--CA 1.464 0.266 0 CA-C-O 118.273 -0.87 . . . . 0.0 111.57 171.569 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 14' ' ' ALA . . . . . 0.583 ' O ' HG22 ' B' ' 18' ' ' VAL . . . -54.7 -48.97 71.81 Favored 'General case' 0 CA--C 1.534 0.35 0 CA-C-N 120.317 1.417 . . . . 0.0 111.917 179.778 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 4.2 mm? -56.25 -37.24 69.49 Favored 'General case' 0 N--CA 1.471 0.609 0 C-N-CA 123.647 0.779 . . . . 0.0 112.175 174.898 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 16' ' ' TYR . . . . . . . . . . . . . 84.7 t80 -63.12 -45.25 92.86 Favored 'General case' 0 CA--C 1.539 0.543 0 CA-C-N 119.109 0.868 . . . . 0.0 112.413 169.886 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 91.1 mt -66.95 -45.71 76.95 Favored 'General case' 0 CA--C 1.535 0.402 0 O-C-N 121.55 -0.719 . . . . 0.0 112.853 -176.632 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 18' ' ' VAL . . . . . 0.597 HG21 HD11 ' A' ' 16' ' ' LEU . 0.0 OUTLIER -70.28 -48.46 60.82 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.073 0 C-N-CA 122.939 0.496 . . . . 0.0 111.847 176.018 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' B' B ' 19' ' ' CYS . . . . . . . . . . . . . 7.9 t -120.83 -39.92 2.68 Favored 'General case' 0 N--CA 1.469 0.512 0 N-CA-C 114.26 1.207 . . . . 0.0 114.26 -163.41 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . -75.64 -30.34 58.22 Favored Glycine 0 N--CA 1.475 1.257 0 O-C-N 121.17 -0.956 . . . . 0.0 113.753 -168.343 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 36.5 tt0 -67.05 -32.64 73.97 Favored 'General case' 0 CA--C 1.544 0.712 0 C-N-CA 124.892 1.277 . . . . 0.0 111.593 173.041 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 22' ' ' ARG . . . . . . . . . . . . . 31.0 mtm105 -80.23 -42.63 22.89 Favored 'General case' 0 N--CA 1.471 0.578 0 C-N-CA 124.165 0.986 . . . . 0.0 112.643 175.051 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . 89.09 -168.27 35.24 Favored Glycine 0 CA--C 1.532 1.154 0 C-N-CA 124.994 1.283 . . . . 0.0 111.649 -162.45 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 24' ' ' HIS . . . . . . . . . . . . . 30.2 p80 -64.91 -19.29 65.85 Favored 'General case' 0 CA--C 1.552 1.028 0 N-CA-C 114.818 1.414 . . . . 0.0 114.818 -177.63 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 25' ' ' PHE . . . . . . . . . . . . . 55.3 t80 -112.68 163.71 14.22 Favored 'General case' 0 CA--C 1.544 0.714 0 C-N-CA 126.46 1.904 . . . . 0.0 111.726 -178.028 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 26' ' ' TYR . . . . . . . . . . . . . 60.3 t80 -68.11 153.25 44.13 Favored 'General case' 0 CA--C 1.545 0.765 0 O-C-N 121.186 -0.946 . . . . 0.0 112.757 173.849 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 27' ' ' THR . . . . . . . . . . . . . 22.0 p -126.97 112.86 21.94 Favored Pre-proline 0 N--CA 1.472 0.647 0 C-N-CA 124.875 1.27 . . . . 0.0 109.506 176.521 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 28' ' ' PRO . . . . . . . . . . . . . 86.0 Cg_endo -75.1 156.37 42.53 Favored 'Trans proline' 0 C--N 1.35 0.645 0 C-N-CA 123.26 2.64 . . . . 0.0 111.56 -176.586 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 30.0 mmtp -93.99 155.95 16.86 Favored 'General case' 0 CA--C 1.545 0.752 0 C-N-CA 124.165 0.986 . . . . 0.0 113.313 -168.329 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 30' ' ' THR . . . . . . . . . . . . . 86.8 m . . . . . 0 N--CA 1.484 1.225 0 C-N-CA 125.273 1.429 . . . . 0.0 111.228 176.96 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.479 1.56 0 CA-C-O 121.447 0.471 . . . . 0.0 112.838 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 9.0 tp -71.13 -39.15 73.58 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.081 0 C-N-CA 125.672 1.589 . . . . 0.0 114.45 -170.721 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 74.8 t -68.09 -47.71 77.43 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.089 0 CA-C-N 118.916 0.78 . . . . 0.0 110.501 -173.779 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 12.6 pm0 -70.25 9.13 0.63 Allowed 'General case' 0 CA--C 1.547 0.838 0 C-N-CA 124.638 1.175 . . . . 0.0 113.648 175.942 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 23.9 mm-40 -114.1 -64.98 1.23 Allowed 'General case' 0 CA--C 1.537 0.48 0 C-N-CA 124.805 1.242 . . . . 0.0 110.078 164.787 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 68.7 m -71.0 -32.84 69.76 Favored 'General case' 0 N--CA 1.474 0.751 0 N-CA-C 115.117 1.525 . . . . 0.0 115.117 -173.201 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 26.6 t -74.89 -28.46 60.65 Favored 'General case' 0 N--CA 1.477 0.886 0 O-C-N 121.127 -0.983 . . . . 0.0 113.344 179.637 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 6.9 t -99.5 -21.52 15.9 Favored 'General case' 0 N--CA 1.476 0.841 0 C-N-CA 125.088 1.355 . . . . 0.0 113.357 -177.738 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 94.5 p -156.02 169.43 24.48 Favored 'General case' 0 N--CA 1.468 0.468 0 C-N-CA 124.609 1.164 . . . . 0.0 112.605 -177.34 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 11.6 mt -76.02 122.59 30.4 Favored 'Isoleucine or valine' 0 C--O 1.234 0.258 0 O-C-N 121.388 -0.82 . . . . 0.0 111.254 -177.481 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 29.9 p -109.96 144.07 39.01 Favored 'General case' 0 CA--C 1.537 0.471 0 C-N-CA 125.219 1.408 . . . . 0.0 110.987 175.309 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 42.4 m -93.87 151.47 19.56 Favored 'General case' 0 N--CA 1.471 0.59 0 C-N-CA 123.597 0.759 . . . . 0.0 111.951 179.845 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . 0.478 ' H ' HD23 ' A' ' 13' ' ' LEU . 1.8 pt? -58.79 -39.58 81.51 Favored 'General case' 0 CA--C 1.531 0.231 0 O-C-N 121.305 -0.872 . . . . 0.0 111.967 -174.318 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 19.1 p90 -69.08 -12.56 61.8 Favored 'General case' 0 CA--C 1.536 0.416 0 C-N-CA 125.043 1.337 . . . . 0.0 114.264 -175.313 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 3.9 pt20 -114.84 -27.6 7.36 Favored 'General case' 0 CA--C 1.532 0.266 0 C-N-CA 124.064 0.946 . . . . 0.0 110.899 178.833 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -71.54 -29.59 64.93 Favored 'General case' 0 CA--C 1.547 0.848 0 CA-C-N 119.385 0.993 . . . . 0.0 111.795 176.917 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 33.7 mt-10 -49.7 -38.72 34.16 Favored 'General case' 0 N--CA 1.481 1.089 0 C-N-CA 124.607 1.163 . . . . 0.0 111.646 168.842 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 1.3 t-20 -62.65 -19.22 63.59 Favored 'General case' 0 CA--C 1.541 0.606 0 C-N-CA 125.155 1.382 . . . . 0.0 113.994 -172.927 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 73.0 m-85 -90.03 -9.2 49.45 Favored 'General case' 0 CA--C 1.543 0.708 0 C-N-CA 125.594 1.558 . . . . 0.0 113.577 177.948 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 36.3 t -69.2 -31.73 70.53 Favored 'General case' 0 N--CA 1.473 0.696 0 N-CA-C 113.368 0.877 . . . . 0.0 113.368 -176.2 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--O 1.252 1.21 0 C-N-CA 125.873 1.669 . . . . 0.0 113.135 178.736 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 1' ' ' PHE . . . . . . . . . . . . . 49.8 t80 . . . . . 0 N--CA 1.487 1.405 0 N-CA-C 110.657 -0.127 . . . . 0.0 110.657 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' B' B ' 2' ' ' VAL . . . . . . . . . . . . . 11.1 p -144.45 134.56 19.95 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.837 0 C-N-CA 124.88 1.272 . . . . 0.0 108.914 164.764 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 3' ' ' ASN . . . . . . . . . . . . . 9.5 m120 -63.32 111.71 2.39 Favored 'General case' 0 CA--C 1.54 0.576 0 C-N-CA 123.414 0.686 . . . . 0.0 109.554 175.548 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 4' ' ' GLN . . . . . . . . . . . . . 25.1 pt20 -155.4 179.98 8.65 Favored 'General case' 0 CA--C 1.535 0.381 0 C-N-CA 124.952 1.301 . . . . 0.0 110.961 -170.98 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 5' ' ' HIS . . . . . . . . . . . . . 76.7 m-70 -85.79 132.94 34.02 Favored 'General case' 0 CA--C 1.542 0.661 0 C-N-CA 124.119 0.968 . . . . 0.0 110.29 171.632 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 96.0 mt -133.03 129.57 38.27 Favored 'General case' 0 N--CA 1.469 0.496 0 C-N-CA 124.519 1.128 . . . . 0.0 110.635 -174.649 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 7' ' ' CYS . . . . . . . . . . . . . 2.8 t -154.32 146.22 23.5 Favored 'General case' 0 N--CA 1.468 0.442 0 C-N-CA 123.408 0.683 . . . . 0.0 111.606 -179.297 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 8' ' ' GLY . . . . . . . . . . . . . . . 58.62 -126.79 43.55 Favored Glycine 0 CA--C 1.529 0.966 0 C-N-CA 123.913 0.768 . . . . 0.0 112.159 -179.388 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 9' ' ' SER . . . . . . . . . . . . . 20.2 m -53.54 -40.04 65.17 Favored 'General case' 0 N--CA 1.469 0.507 0 C-N-CA 124.538 1.135 . . . . 0.0 112.675 178.005 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 10' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -62.79 -38.0 88.92 Favored 'General case' 0 N--CA 1.472 0.643 0 O-C-N 121.157 -0.964 . . . . 0.0 112.499 177.829 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 16.4 tp -71.93 -44.18 64.06 Favored 'General case' 0 CA--C 1.535 0.384 0 C-N-CA 124.282 1.033 . . . . 0.0 110.883 177.99 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 74.8 t -59.6 -43.68 91.6 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.028 0 C-N-CA 123.973 0.909 . . . . 0.0 111.148 173.567 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 24.5 mt-10 -59.58 -46.57 88.54 Favored 'General case' 0 N--CA 1.465 0.313 0 C-N-CA 124.151 0.981 . . . . 0.0 112.029 173.817 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -61.38 -48.75 79.85 Favored 'General case' 0 CA--C 1.531 0.249 0 CA-C-N 119.298 0.954 . . . . 0.0 111.684 177.47 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 3.8 mm? -55.77 -38.26 69.63 Favored 'General case' 0 N--CA 1.469 0.506 0 CA-C-N 118.906 0.775 . . . . 0.0 111.963 176.509 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 16' ' ' TYR . . . . . . . . . . . . . 88.1 t80 -61.18 -43.51 98.76 Favored 'General case' 0 CA--C 1.537 0.472 0 CA-C-N 119.486 1.039 . . . . 0.0 112.439 171.561 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 95.8 mt -69.42 -47.72 63.22 Favored 'General case' 0 CA--C 1.536 0.409 0 O-C-N 121.63 -0.669 . . . . 0.0 112.685 -178.739 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 18' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -78.79 -35.41 18.18 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.28 0 CA-C-N 118.722 0.692 . . . . 0.0 112.754 -177.279 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 19' ' ' CYS . . . . . . . . . . . . . 22.1 t -115.42 -45.58 2.91 Favored 'General case' 0 CA--C 1.538 0.506 0 N-CA-C 113.326 0.862 . . . . 0.0 113.326 -172.909 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . -66.57 -40.56 94.2 Favored Glycine 0 N--CA 1.474 1.175 0 O-C-N 121.412 -0.805 . . . . 0.0 113.649 -170.951 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 41.8 tt0 -52.86 -31.72 40.89 Favored 'General case' 0 CA--C 1.543 0.678 0 C-N-CA 127.158 2.183 . . . . 0.0 112.555 171.66 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 22' ' ' ARG . . . . . . . . . . . . . 12.0 mmt85 -84.82 5.68 27.66 Favored 'General case' 0 CA--C 1.544 0.72 0 C-N-CA 125.69 1.596 . . . . 0.0 113.15 -175.534 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . 121.11 -21.53 8.23 Favored Glycine 0 N--CA 1.473 1.138 0 C-N-CA 126.346 1.926 . . . . 0.0 114.84 175.507 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 24' ' ' HIS . . . . . . . . . . . . . 94.0 m-70 -68.35 -15.71 63.66 Favored 'General case' 0 CA--C 1.547 0.846 0 N-CA-C 114.546 1.313 . . . . 0.0 114.546 -174.933 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 25' ' ' PHE . . . . . . . . . . . . . 49.0 m-85 -130.75 49.07 2.35 Favored 'General case' 0 N--CA 1.469 0.517 0 C-N-CA 124.931 1.292 . . . . 0.0 112.259 168.192 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 26' ' ' TYR . . . . . . . . . . . . . 38.6 t80 -101.79 142.0 33.79 Favored 'General case' 0 C--O 1.237 0.441 0 CA-C-N 114.267 -1.333 . . . . 0.0 109.68 148.146 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 27' ' ' THR . . . . . 0.523 ' H ' ' HA ' ' B' ' 28' ' ' PRO . 0.3 OUTLIER -133.35 -37.62 0.03 OUTLIER Pre-proline 0 N--CA 1.471 0.591 0 N-CA-C 117.075 2.25 . . . . 0.0 117.075 -157.974 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' B' B ' 28' ' ' PRO . . . . . 0.523 ' HA ' ' H ' ' B' ' 27' ' ' THR . 97.7 Cg_endo -67.5 145.9 75.16 Favored 'Cis proline' 0 C--N 1.353 0.789 0 CA-C-N 123.378 2.242 . . . . 0.0 112.7 3.565 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 20.3 ttpp -74.35 145.74 43.61 Favored 'General case' 0 CA--C 1.546 0.821 0 CA-C-N 115.251 -0.886 . . . . 0.0 112.824 -169.929 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 30' ' ' THR . . . . . . . . . . . . . 19.1 p . . . . . 0 C--O 1.254 1.334 0 C-N-CA 125.411 1.484 . . . . 0.0 112.778 168.336 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.699 0 CA-C-O 121.093 0.274 . . . . 0.0 112.769 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 8.2 tp -69.69 -41.35 80.04 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.137 0 C-N-CA 124.703 1.201 . . . . 0.0 114.039 -174.294 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 90.2 t -62.16 -45.75 98.03 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.194 0 O-C-N 121.371 -0.83 . . . . 0.0 110.696 -175.064 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 15.9 pt-20 -71.69 3.5 4.0 Favored 'General case' 0 CA--C 1.545 0.787 0 N-CA-C 113.886 1.069 . . . . 0.0 113.886 177.725 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 22.2 mm-40 -120.01 -25.15 5.86 Favored 'General case' 0 CA--C 1.541 0.614 0 C-N-CA 124.263 1.025 . . . . 0.0 113.531 174.914 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 53.1 m -107.26 -29.38 9.35 Favored 'General case' 0 N--CA 1.478 0.973 0 N-CA-C 115.49 1.663 . . . . 0.0 115.49 176.387 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 48.8 t -81.67 -37.81 26.87 Favored 'General case' 0 N--CA 1.479 0.983 0 N-CA-C 113.928 1.084 . . . . 0.0 113.928 -177.865 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 9.6 t -80.09 -29.35 39.06 Favored 'General case' 0 N--CA 1.48 1.031 0 C-N-CA 124.897 1.279 . . . . 0.0 113.071 -178.348 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 94.0 p -160.35 167.43 27.42 Favored 'General case' 0 CA--C 1.536 0.436 0 C-N-CA 126.171 1.788 . . . . 0.0 110.752 -175.652 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 14.0 mt -72.81 129.14 36.02 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.515 0 O-C-N 121.568 -0.707 . . . . 0.0 111.952 -170.666 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 30.8 p -108.86 168.31 9.45 Favored 'General case' 0 CA--C 1.54 0.588 0 C-N-CA 125.302 1.441 . . . . 0.0 112.115 173.246 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 59.0 m -122.4 149.06 44.33 Favored 'General case' 0 N--CA 1.467 0.406 0 C-N-CA 124.189 0.995 . . . . 0.0 111.581 -177.25 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . 0.467 ' H ' HD23 ' A' ' 13' ' ' LEU . 2.0 pt? -55.88 -41.32 74.25 Favored 'General case' 0 N--CA 1.464 0.23 0 C-N-CA 124.067 0.947 . . . . 0.0 111.833 -173.14 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 14.9 p90 -67.12 -13.14 61.66 Favored 'General case' 0 CA--C 1.535 0.393 0 C-N-CA 125.139 1.376 . . . . 0.0 114.399 -175.075 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 14.6 pt20 -117.59 -28.59 6.0 Favored 'General case' 0 CA--C 1.532 0.276 0 C-N-CA 123.72 0.808 . . . . 0.0 111.181 178.778 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -70.61 -30.78 67.54 Favored 'General case' 0 CA--C 1.548 0.881 0 CA-C-N 119.302 0.955 . . . . 0.0 111.779 176.478 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 26.2 mt-10 -48.51 -39.52 23.53 Favored 'General case' 0 N--CA 1.481 1.095 0 C-N-CA 124.785 1.234 . . . . 0.0 111.649 169.924 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 1.7 t-20 -59.31 -28.32 66.68 Favored 'General case' 0 CA--C 1.542 0.644 0 C-N-CA 124.741 1.216 . . . . 0.0 113.441 -172.68 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 76.0 m-85 -80.16 -9.58 59.72 Favored 'General case' 0 CA--C 1.543 0.683 0 C-N-CA 125.495 1.518 . . . . 0.0 113.352 -179.15 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 12.6 t -71.47 -25.59 62.35 Favored 'General case' 0 CA--C 1.542 0.662 0 C-N-CA 123.76 0.824 . . . . 0.0 113.18 176.043 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 C--O 1.254 1.3 0 C-N-CA 125.801 1.64 . . . . 0.0 111.914 178.678 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 1' ' ' PHE . . . . . . . . . . . . . 68.9 t80 . . . . . 0 N--CA 1.487 1.39 0 CA-C-O 119.807 -0.14 . . . . 0.0 110.723 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' B' B ' 2' ' ' VAL . . . . . . . . . . . . . 90.9 t -132.12 122.44 48.68 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.93 0 C-N-CA 124.976 1.31 . . . . 0.0 108.348 170.192 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 3' ' ' ASN . . . . . . . . . . . . . 10.3 m120 -64.62 115.83 5.6 Favored 'General case' 0 CA--C 1.539 0.534 0 C-N-CA 123.665 0.786 . . . . 0.0 109.983 172.206 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 4' ' ' GLN . . . . . . . . . . . . . 13.4 pt20 -160.06 -179.97 8.23 Favored 'General case' 0 CA--C 1.536 0.429 0 C-N-CA 125.277 1.431 . . . . 0.0 110.439 -171.119 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 5' ' ' HIS . . . . . . . . . . . . . 75.6 m-70 -84.29 124.97 31.81 Favored 'General case' 0 CA--C 1.542 0.641 0 C-N-CA 123.696 0.798 . . . . 0.0 109.944 171.256 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 96.5 mt -126.22 129.56 49.2 Favored 'General case' 0 N--CA 1.468 0.464 0 C-N-CA 124.606 1.162 . . . . 0.0 110.538 -175.217 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 7' ' ' CYS . . . . . . . . . . . . . 1.3 t -152.75 146.25 24.95 Favored 'General case' 0 N--CA 1.468 0.428 0 C-N-CA 123.595 0.758 . . . . 0.0 111.324 -177.576 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 8' ' ' GLY . . . . . . . . . . . . . . . 57.01 -125.94 40.48 Favored Glycine 0 CA--C 1.529 0.944 0 C-N-CA 123.944 0.783 . . . . 0.0 112.705 179.143 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 9' ' ' SER . . . . . . . . . . . . . 8.7 t -55.4 -39.3 70.02 Favored 'General case' 0 N--CA 1.472 0.659 0 C-N-CA 123.88 0.872 . . . . 0.0 112.53 178.761 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 10' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -62.52 -37.26 85.37 Favored 'General case' 0 N--CA 1.474 0.768 0 O-C-N 120.758 -1.214 . . . . 0.0 112.503 177.096 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 17.7 tp -72.44 -43.43 63.8 Favored 'General case' 0 CA--C 1.535 0.399 0 C-N-CA 124.341 1.056 . . . . 0.0 110.96 177.837 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 76.4 t -59.65 -43.25 90.82 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.979 0 C-N-CA 123.931 0.892 . . . . 0.0 111.18 172.947 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 24.0 mt-10 -58.99 -46.77 87.34 Favored 'General case' 0 N--CA 1.466 0.347 0 C-N-CA 123.827 0.851 . . . . 0.0 112.085 173.373 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -60.62 -49.44 77.53 Favored 'General case' 0 CA--C 1.532 0.255 0 CA-C-N 119.327 0.967 . . . . 0.0 111.635 177.349 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 3.9 mm? -54.33 -38.97 66.61 Favored 'General case' 0 N--CA 1.471 0.602 0 CA-C-N 118.764 0.711 . . . . 0.0 111.857 176.553 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 16' ' ' TYR . . . . . . . . . . . . . 74.8 t80 -61.88 -43.33 99.06 Favored 'General case' 0 CA--C 1.538 0.487 0 CA-C-N 119.101 0.864 . . . . 0.0 112.548 172.175 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 95.3 mt -69.81 -45.65 67.44 Favored 'General case' 0 CA--C 1.536 0.411 0 O-C-N 121.238 -0.914 . . . . 0.0 112.944 -178.896 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 18' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -78.62 -35.98 19.28 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.333 0 CA-C-N 118.717 0.69 . . . . 0.0 112.463 -178.023 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 19' ' ' CYS . . . . . . . . . . . . . 31.4 t -114.45 -49.9 2.81 Favored 'General case' 0 CA--C 1.536 0.412 0 N-CA-C 113.801 1.037 . . . . 0.0 113.801 -175.038 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . -73.27 -31.44 61.34 Favored Glycine 0 N--CA 1.476 1.339 0 N-CA-C 115.11 0.804 . . . . 0.0 115.11 -163.442 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 11.1 tp10 -81.35 -37.4 28.34 Favored 'General case' 0 CA--C 1.543 0.707 0 C-N-CA 125.486 1.514 . . . . 0.0 111.279 172.93 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 22' ' ' ARG . . . . . . . . . . . . . 51.3 mmm-85 -73.43 -47.89 38.16 Favored 'General case' 0 N--CA 1.472 0.626 0 C-N-CA 124.288 1.035 . . . . 0.0 111.939 -176.035 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . -98.0 81.21 0.63 Allowed Glycine 0 N--CA 1.466 0.676 0 N-CA-C 108.543 -1.823 . . . . 0.0 108.543 166.128 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 24' ' ' HIS . . . . . . . . . . . . . 19.4 p80 -54.59 146.16 17.16 Favored 'General case' 0 CA--C 1.549 0.928 0 N-CA-C 114.928 1.455 . . . . 0.0 114.928 -167.456 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 25' ' ' PHE . . . . . . . . . . . . . 32.6 t80 59.79 52.58 5.35 Favored 'General case' 0 CA--C 1.541 0.634 0 C-N-CA 126.115 1.766 . . . . 0.0 112.329 -178.096 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 26' ' ' TYR . . . . . . . . . . . . . 55.6 t80 -67.68 145.5 54.72 Favored 'General case' 0 CA--C 1.54 0.591 0 C-N-CA 124.205 1.002 . . . . 0.0 112.199 173.285 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 27' ' ' THR . . . . . . . . . . . . . 21.2 p -118.19 111.2 38.77 Favored Pre-proline 0 N--CA 1.472 0.645 0 C-N-CA 126.005 1.722 . . . . 0.0 108.8 175.699 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 28' ' ' PRO . . . . . . . . . . . . . 86.9 Cg_endo -76.25 157.02 37.65 Favored 'Trans proline' 0 C--N 1.349 0.564 0 C-N-CA 123.059 2.506 . . . . 0.0 111.748 -176.224 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -158.96 158.85 34.08 Favored 'General case' 0 CA--C 1.545 0.769 0 C-N-CA 125.508 1.523 . . . . 0.0 113.012 -174.517 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 30' ' ' THR . . . . . . . . . . . . . 17.9 p . . . . . 0 C--O 1.253 1.279 0 C-N-CA 125.795 1.638 . . . . 0.0 113.189 177.44 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.482 1.739 0 CA-C-O 121.246 0.359 . . . . 0.0 112.91 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 7.4 tp -68.16 -34.62 67.57 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.187 0 N-CA-C 114.305 1.224 . . . . 0.0 114.305 -172.998 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 92.2 t -66.73 -44.2 89.58 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.14 0 O-C-N 120.986 -1.071 . . . . 0.0 110.725 -179.67 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 17.6 pt-20 -74.23 -4.55 36.68 Favored 'General case' 0 CA--C 1.547 0.856 0 N-CA-C 113.508 0.929 . . . . 0.0 113.508 174.102 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 11.2 tp60 -92.24 -44.04 8.97 Favored 'General case' 0 CA--C 1.54 0.577 0 C-N-CA 124.15 0.98 . . . . 0.0 111.581 170.467 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 98.4 m -114.37 -23.68 9.26 Favored 'General case' 0 N--CA 1.477 0.906 0 N-CA-C 116.61 2.078 . . . . 0.0 116.61 -168.845 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 42.2 t -85.74 -40.74 15.77 Favored 'General case' 0 N--CA 1.48 1.029 0 CA-C-N 119.603 1.092 . . . . 0.0 113.886 -178.464 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 6.9 t -75.99 -29.85 58.34 Favored 'General case' 0 N--CA 1.479 0.979 0 C-N-CA 124.766 1.226 . . . . 0.0 112.965 -179.481 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 83.7 p -159.24 168.13 27.25 Favored 'General case' 0 CA--C 1.535 0.393 0 C-N-CA 126.005 1.722 . . . . 0.0 110.789 -179.068 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 15.6 mt -73.55 127.19 35.29 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.51 0 O-C-N 121.613 -0.68 . . . . 0.0 111.687 -171.606 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 30.1 p -103.61 154.4 19.55 Favored 'General case' 0 CA--C 1.537 0.454 0 C-N-CA 124.836 1.255 . . . . 0.0 111.902 171.339 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 69.1 m -94.1 153.25 18.23 Favored 'General case' 0 N--CA 1.47 0.548 0 CA-C-O 121.612 0.72 . . . . 0.0 112.161 170.988 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . 0.584 ' H ' HD23 ' A' ' 13' ' ' LEU . 1.7 pt? -58.67 -40.92 84.89 Favored 'General case' 0 N--CA 1.465 0.291 0 O-C-N 121.405 -0.809 . . . . 0.0 112.116 -177.296 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 22.8 p90 -68.17 -14.69 63.17 Favored 'General case' 0 CA--C 1.536 0.42 0 N-CA-C 114.235 1.198 . . . . 0.0 114.235 -173.974 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 3.5 pt20 -109.86 -29.43 8.29 Favored 'General case' 0 C--O 1.223 -0.335 0 C-N-CA 124.034 0.933 . . . . 0.0 110.676 177.6 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . 0.511 HD11 HG21 ' B' ' 18' ' ' VAL . 0.3 OUTLIER -70.27 -28.74 65.46 Favored 'General case' 0 CA--C 1.548 0.895 0 CA-C-N 119.802 1.183 . . . . 0.0 111.891 175.547 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 28.8 mt-10 -49.41 -36.48 22.26 Favored 'General case' 0 N--CA 1.48 1.026 0 C-N-CA 124.655 1.182 . . . . 0.0 112.066 170.411 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 5.6 m120 -60.06 -25.88 65.71 Favored 'General case' 0 CA--C 1.542 0.661 0 C-N-CA 124.981 1.313 . . . . 0.0 112.811 -173.433 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 84.1 m-85 -86.81 -6.42 58.82 Favored 'General case' 0 CA--C 1.542 0.649 0 C-N-CA 125.983 1.713 . . . . 0.0 113.55 -176.597 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 17.2 t -70.25 -25.84 63.56 Favored 'General case' 0 CA--C 1.545 0.778 0 C-N-CA 123.719 0.808 . . . . 0.0 113.021 173.647 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 C--O 1.252 1.227 0 C-N-CA 126.1 1.76 . . . . 0.0 111.823 177.107 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 1' ' ' PHE . . . . . . . . . . . . . 47.9 t80 . . . . . 0 N--CA 1.487 1.415 0 CA-C-O 119.562 -0.256 . . . . 0.0 110.649 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' B' B ' 2' ' ' VAL . . . . . . . . . . . . . 89.3 t -132.15 118.41 36.58 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.986 0 C-N-CA 124.794 1.238 . . . . 0.0 109.128 173.654 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 3' ' ' ASN . . . . . . . . . . . . . 72.4 m-20 -64.28 123.78 20.02 Favored 'General case' 0 CA--C 1.538 0.511 0 CA-C-O 121.158 0.504 . . . . 0.0 110.201 167.491 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 4' ' ' GLN . . . . . . . . . . . . . 11.5 pt20 -161.98 -176.43 5.19 Favored 'General case' 0 CA--C 1.536 0.423 0 C-N-CA 125.56 1.544 . . . . 0.0 109.815 -171.951 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 5' ' ' HIS . . . . . . . . . . . . . 82.4 m-70 -84.89 122.64 29.47 Favored 'General case' 0 CA--C 1.541 0.633 0 C-N-CA 123.552 0.741 . . . . 0.0 110.168 171.515 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 97.2 mt -127.57 128.81 46.24 Favored 'General case' 0 N--CA 1.468 0.468 0 C-N-CA 124.699 1.2 . . . . 0.0 110.861 -172.923 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 7' ' ' CYS . . . . . . . . . . . . . 0.4 OUTLIER -151.19 149.13 29.08 Favored 'General case' 0 N--CA 1.468 0.453 0 C-N-CA 124.117 0.967 . . . . 0.0 111.236 -178.291 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 8' ' ' GLY . . . . . . . . . . . . . . . 58.16 -127.56 45.41 Favored Glycine 0 N--CA 1.472 1.073 0 C-N-CA 123.879 0.752 . . . . 0.0 112.693 178.694 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 9' ' ' SER . . . . . . . . . . . . . 9.0 t -53.7 -42.83 68.44 Favored 'General case' 0 N--CA 1.473 0.715 0 C-N-CA 123.544 0.738 . . . . 0.0 111.941 176.767 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 10' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -59.9 -35.95 75.94 Favored 'General case' 0 N--CA 1.473 0.679 0 O-C-N 121.157 -0.964 . . . . 0.0 112.655 179.355 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 18.1 tp -73.95 -45.0 53.04 Favored 'General case' 0 CA--C 1.536 0.421 0 C-N-CA 124.177 0.991 . . . . 0.0 111.203 178.41 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 92.9 t -60.78 -41.54 88.89 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.114 0 C-N-CA 123.857 0.863 . . . . 0.0 111.198 173.601 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 21.3 mt-10 -59.45 -47.97 83.45 Favored 'General case' 0 N--CA 1.464 0.244 0 C-N-CA 125.013 1.325 . . . . 0.0 111.787 173.235 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -60.66 -47.82 84.53 Favored 'General case' 0 CA--C 1.531 0.24 0 CA-C-N 119.383 0.992 . . . . 0.0 111.695 176.799 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 3.8 mm? -54.52 -39.28 67.46 Favored 'General case' 0 N--CA 1.469 0.489 0 CA-C-N 118.729 0.695 . . . . 0.0 111.779 176.161 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 16' ' ' TYR . . . . . . . . . . . . . 75.8 t80 -62.39 -44.12 97.21 Favored 'General case' 0 CA--C 1.539 0.552 0 CA-C-N 119.049 0.841 . . . . 0.0 112.444 171.779 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 95.9 mt -68.69 -37.52 79.62 Favored 'General case' 0 CA--C 1.538 0.497 0 N-CA-C 113.365 0.876 . . . . 0.0 113.365 -178.844 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 18' ' ' VAL . . . . . 0.511 HG21 HD11 ' A' ' 16' ' ' LEU . 0.0 OUTLIER -83.32 -40.0 15.76 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.338 0 CA-C-N 118.972 0.805 . . . . 0.0 112.436 178.95 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' B' B ' 19' ' ' CYS . . . . . . . . . . . . . 19.5 t -106.76 -47.31 3.76 Favored 'General case' 0 CA--C 1.54 0.589 0 N-CA-C 114.031 1.123 . . . . 0.0 114.031 -172.381 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . -76.98 -55.01 4.59 Favored Glycine 0 N--CA 1.474 1.202 0 C-N-CA 124.43 1.014 . . . . 0.0 113.482 -166.567 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 8.1 tp10 -56.31 -35.83 67.98 Favored 'General case' 0 CA--C 1.542 0.641 0 C-N-CA 126.186 1.794 . . . . 0.0 111.786 176.553 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 22' ' ' ARG . . . . . . . . . . . . . 53.8 mtt180 -85.14 -3.22 58.73 Favored 'General case' 0 CA--C 1.545 0.755 0 C-N-CA 125.254 1.422 . . . . 0.0 113.137 -179.354 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . -96.85 -51.18 1.68 Allowed Glycine 0 N--CA 1.469 0.844 0 C-N-CA 126.016 1.77 . . . . 0.0 112.986 -176.237 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 24' ' ' HIS . . . . . . . . . . . . . 6.4 p80 -71.9 -20.38 61.79 Favored 'General case' 0 CA--C 1.549 0.916 0 N-CA-C 114.017 1.117 . . . . 0.0 114.017 -179.468 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 25' ' ' PHE . . . . . . . . . . . . . 65.7 t80 -157.96 158.92 35.86 Favored 'General case' 0 CA--C 1.541 0.603 0 C-N-CA 126.622 1.969 . . . . 0.0 110.507 -177.886 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 26' ' ' TYR . . . . . . . . . . . . . 55.4 t80 -71.01 149.68 46.37 Favored 'General case' 0 CA--C 1.543 0.69 0 N-CA-C 113.315 0.857 . . . . 0.0 113.315 179.978 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 27' ' ' THR . . . . . . . . . . . . . 23.0 p -127.53 121.13 22.2 Favored Pre-proline 0 N--CA 1.474 0.729 0 C-N-CA 125.371 1.468 . . . . 0.0 109.384 171.302 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 28' ' ' PRO . . . . . . . . . . . . . 94.0 Cg_endo -77.12 158.24 33.89 Favored 'Trans proline' 0 C--N 1.35 0.657 0 C-N-CA 123.32 2.68 . . . . 0.0 111.993 -174.969 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 43.9 mmtm -98.84 159.7 14.78 Favored 'General case' 0 CA--C 1.545 0.767 0 C-N-CA 124.494 1.118 . . . . 0.0 113.131 -172.769 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 30' ' ' THR . . . . . . . . . . . . . 86.1 m . . . . . 0 C--O 1.253 1.269 0 C-N-CA 125.276 1.43 . . . . 0.0 111.176 175.791 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.572 0 CA-C-O 121.474 0.486 . . . . 0.0 112.776 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 7.6 tp -72.63 -32.86 42.81 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.073 0 C-N-CA 125.072 1.349 . . . . 0.0 114.466 -174.003 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 74.3 t -64.86 -49.67 78.84 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.155 0 CA-C-N 119.869 1.213 . . . . 0.0 110.441 -175.133 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 12.4 pm0 -70.05 2.18 3.86 Favored 'General case' 0 CA--C 1.546 0.802 0 C-N-CA 124.552 1.141 . . . . 0.0 113.771 175.995 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 12.4 tp60 -101.51 -61.84 1.33 Allowed 'General case' 0 CA--C 1.538 0.494 0 C-N-CA 124.029 0.932 . . . . 0.0 110.606 163.183 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 1.8 t -89.38 -22.04 22.78 Favored 'General case' 0 CA--C 1.542 0.651 0 N-CA-C 114.995 1.48 . . . . 0.0 114.995 -164.854 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 26.4 t -75.04 -26.71 59.65 Favored 'General case' 0 N--CA 1.476 0.862 0 O-C-N 121.149 -0.969 . . . . 0.0 113.328 172.942 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 7.5 t -96.12 -33.74 11.96 Favored 'General case' 0 N--CA 1.476 0.863 0 C-N-CA 124.953 1.301 . . . . 0.0 113.045 -178.451 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 91.8 p -151.04 170.74 18.64 Favored 'General case' 0 N--CA 1.47 0.531 0 C-N-CA 125.095 1.358 . . . . 0.0 111.46 -179.255 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 15.9 mt -72.84 127.0 34.49 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.68 0 O-C-N 120.399 -1.438 . . . . 0.0 111.807 -171.097 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 15.4 p -105.54 148.99 26.65 Favored 'General case' 0 CA--C 1.538 0.483 0 C-N-CA 123.839 0.855 . . . . 0.0 112.039 166.218 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 50.8 m -103.43 155.96 18.11 Favored 'General case' 0 N--CA 1.471 0.583 0 C-N-CA 124.486 1.114 . . . . 0.0 112.144 175.583 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . 0.538 ' H ' HD23 ' A' ' 13' ' ' LEU . 1.5 pt? -58.7 -40.03 82.45 Favored 'General case' 0 CA--C 1.531 0.239 0 O-C-N 121.224 -0.923 . . . . 0.0 112.352 -172.827 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 21.6 p90 -68.38 -13.92 62.63 Favored 'General case' 0 CA--C 1.536 0.418 0 C-N-CA 125.133 1.373 . . . . 0.0 114.188 -174.13 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 3.9 pt20 -116.53 -24.74 7.69 Favored 'General case' 0 CA--C 1.535 0.389 0 C-N-CA 124.638 1.175 . . . . 0.0 111.313 179.67 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . 0.421 HD11 HG21 ' B' ' 18' ' ' VAL . 0.3 OUTLIER -75.09 -28.75 60.42 Favored 'General case' 0 CA--C 1.545 0.753 0 CA-C-N 119.344 0.975 . . . . 0.0 112.151 176.931 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 35.7 mt-10 -53.27 -34.97 59.44 Favored 'General case' 0 N--CA 1.481 1.092 0 C-N-CA 123.843 0.857 . . . . 0.0 111.678 170.939 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 1.7 t-20 -57.03 -27.99 62.11 Favored 'General case' 0 CA--C 1.544 0.713 0 C-N-CA 124.533 1.133 . . . . 0.0 113.233 -177.501 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 87.8 m-85 -82.82 -11.68 58.05 Favored 'General case' 0 CA--C 1.542 0.662 0 C-N-CA 125.655 1.582 . . . . 0.0 113.665 179.186 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 11.4 t -74.01 -24.6 59.6 Favored 'General case' 0 CA--C 1.544 0.749 0 C-N-CA 123.87 0.868 . . . . 0.0 112.912 177.042 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 C--O 1.253 1.285 0 C-N-CA 126.19 1.796 . . . . 0.0 111.989 177.538 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 1' ' ' PHE . . . . . . . . . . . . . 48.1 t80 . . . . . 0 N--CA 1.487 1.411 0 CA-C-O 119.387 -0.34 . . . . 0.0 110.439 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' B' B ' 2' ' ' VAL . . . . . . . . . . . . . 3.5 m -129.83 118.84 45.89 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.032 0 C-N-CA 124.802 1.241 . . . . 0.0 110.664 173.847 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 3' ' ' ASN . . . . . . . . . . . . . 85.2 m-20 -79.83 111.3 16.02 Favored 'General case' 0 CA--C 1.536 0.429 0 N-CA-C 109.048 -0.723 . . . . 0.0 109.048 171.874 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 4' ' ' GLN . . . . . . . . . . . . . 9.3 pt20 -161.74 -177.98 6.22 Favored 'General case' 0 CA--C 1.534 0.332 0 C-N-CA 125.354 1.461 . . . . 0.0 110.847 -175.173 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 5' ' ' HIS . . . . . . . . . . . . . 65.7 m-70 -72.76 135.37 45.29 Favored 'General case' 0 CA--C 1.541 0.606 0 C-N-CA 124.042 0.937 . . . . 0.0 109.569 168.487 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 92.3 mt -140.73 135.2 31.31 Favored 'General case' 0 N--CA 1.468 0.43 0 C-N-CA 124.794 1.238 . . . . 0.0 109.828 -175.981 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 7' ' ' CYS . . . . . . . . . . . . . 2.0 t -155.75 146.16 21.82 Favored 'General case' 0 N--CA 1.468 0.473 0 C-N-CA 123.233 0.613 . . . . 0.0 111.657 -177.619 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 8' ' ' GLY . . . . . . . . . . . . . . . 58.32 -127.28 44.76 Favored Glycine 0 CA--C 1.529 0.936 0 C-N-CA 123.815 0.721 . . . . 0.0 112.053 -178.656 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 9' ' ' SER . . . . . . . . . . . . . 20.1 m -53.18 -40.05 64.09 Favored 'General case' 0 N--CA 1.47 0.533 0 C-N-CA 124.621 1.168 . . . . 0.0 112.704 178.307 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 10' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -63.08 -36.93 85.22 Favored 'General case' 0 CA--C 1.542 0.656 0 O-C-N 121.203 -0.936 . . . . 0.0 112.6 178.442 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 15.1 tp -74.16 -43.33 57.79 Favored 'General case' 0 CA--C 1.536 0.415 0 C-N-CA 124.395 1.078 . . . . 0.0 110.923 177.856 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 71.2 t -59.53 -43.51 90.98 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.082 0 C-N-CA 123.971 0.908 . . . . 0.0 111.163 173.195 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 25.3 mt-10 -59.15 -46.93 87.09 Favored 'General case' 0 N--CA 1.466 0.363 0 C-N-CA 124.208 1.003 . . . . 0.0 111.947 173.37 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -60.68 -48.22 82.77 Favored 'General case' 0 CA--C 1.534 0.354 0 CA-C-N 119.169 0.895 . . . . 0.0 111.992 177.344 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 3.9 mm? -56.58 -38.13 71.54 Favored 'General case' 0 N--CA 1.469 0.518 0 CA-C-N 118.692 0.678 . . . . 0.0 111.893 176.241 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 16' ' ' TYR . . . . . . . . . . . . . 83.8 t80 -61.33 -46.76 88.91 Favored 'General case' 0 CA--C 1.536 0.41 0 CA-C-N 119.179 0.899 . . . . 0.0 112.08 171.034 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 96.8 mt -62.34 -49.18 76.62 Favored 'General case' 0 CA--C 1.537 0.447 0 CA-C-N 118.675 0.671 . . . . 0.0 112.273 -179.605 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 18' ' ' VAL . . . . . 0.421 HG21 HD11 ' A' ' 16' ' ' LEU . 0.0 OUTLIER -77.68 -41.24 28.55 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.185 0 CA-C-N 118.521 0.601 . . . . 0.0 112.525 -176.097 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' B' B ' 19' ' ' CYS . . . . . . . . . . . . . 18.0 t -110.77 -39.2 4.92 Favored 'General case' 0 CA--C 1.541 0.609 0 N-CA-C 114.101 1.149 . . . . 0.0 114.101 -169.723 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . -81.69 -36.57 19.1 Favored Glycine 0 N--CA 1.476 1.304 0 C-N-CA 123.89 0.757 . . . . 0.0 114.03 -170.014 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 16.8 tt0 -81.0 1.93 29.13 Favored 'General case' 0 CA--C 1.547 0.839 0 C-N-CA 125.592 1.557 . . . . 0.0 113.176 -178.134 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 22' ' ' ARG . . . . . . . . . . . . . 34.6 mmt180 -57.49 -5.21 0.31 Allowed 'General case' 0 N--CA 1.477 0.876 0 C-N-CA 126.507 1.923 . . . . 0.0 115.953 -178.633 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . -64.18 -25.72 69.88 Favored Glycine 0 CA--C 1.534 1.228 0 C-N-CA 124.647 1.117 . . . . 0.0 113.798 168.635 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 24' ' ' HIS . . . . . . . . . . . . . 26.4 p80 -143.34 -24.16 0.6 Allowed 'General case' 0 CA--C 1.55 0.951 0 C-N-CA 125.043 1.337 . . . . 0.0 114.603 171.801 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 25' ' ' PHE . . . . . . . . . . . . . 24.5 t80 58.4 64.84 1.38 Allowed 'General case' 0 CA--C 1.539 0.547 0 C-N-CA 127.802 2.441 . . . . 0.0 113.872 173.631 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 26' ' ' TYR . . . . . . . . . . . . . 71.8 t80 -65.36 151.43 46.29 Favored 'General case' 0 CA--C 1.544 0.731 0 O-C-N 121.723 -0.61 . . . . 0.0 111.201 159.003 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 27' ' ' THR . . . . . . . . . . . . . 29.6 p -126.76 119.42 22.7 Favored Pre-proline 0 N--CA 1.472 0.636 0 C-N-CA 125.099 1.359 . . . . 0.0 108.963 173.84 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 28' ' ' PRO . . . . . . . . . . . . . 69.7 Cg_endo -82.28 155.24 16.71 Favored 'Trans proline' 0 C--N 1.348 0.54 0 C-N-CA 122.787 2.325 . . . . 0.0 111.326 179.465 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -159.55 165.34 33.1 Favored 'General case' 0 CA--C 1.549 0.913 0 C-N-CA 126.264 1.826 . . . . 0.0 112.781 -179.171 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 30' ' ' THR . . . . . . . . . . . . . 25.2 m . . . . . 0 N--CA 1.488 1.432 0 C-N-CA 128.721 2.808 . . . . 0.0 112.026 174.81 . . . . . . . . 0 0 . 1 . 021 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.482 1.704 0 N-CA-C 112.231 -0.348 . . . . 0.0 112.231 . . . . . . . . . 0 0 . 1 . 021 nuclear nobuild full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 6.8 tp -57.26 -33.11 42.63 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.324 0 C-N-CA 125.416 1.486 . . . . 0.0 114.121 -171.639 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 93.5 t -58.71 -36.22 59.37 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.977 0 C-N-CA 123.96 0.904 . . . . 0.0 111.07 176.287 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 37.9 mt-10 -77.93 0.58 23.65 Favored 'General case' 0 CA--C 1.543 0.706 0 C-N-CA 124.455 1.102 . . . . 0.0 112.947 179.255 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 18.3 tp60 -111.02 -50.11 2.97 Favored 'General case' 0 CA--C 1.536 0.426 0 C-N-CA 124.497 1.119 . . . . 0.0 111.147 169.475 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 1.6 t -100.18 -21.88 15.37 Favored 'General case' 0 N--CA 1.471 0.595 0 N-CA-C 115.307 1.595 . . . . 0.0 115.307 -167.549 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 18.6 t -79.65 -29.86 41.09 Favored 'General case' 0 N--CA 1.477 0.908 0 O-C-N 120.954 -1.091 . . . . 0.0 112.735 169.891 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 5.8 t -82.41 -33.19 28.75 Favored 'General case' 0 N--CA 1.475 0.79 0 C-N-CA 124.745 1.218 . . . . 0.0 112.823 176.912 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . 0.404 ' HA ' ' CE1' ' B' ' 5' ' ' HIS . 4.9 t -153.17 -171.71 4.01 Favored 'General case' 0 CA--C 1.543 0.709 0 C-N-CA 124.364 1.066 . . . . 0.0 112.651 -174.94 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 31.4 mm -63.39 138.63 22.63 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.572 0 O-C-N 120.87 -1.144 . . . . 0.0 110.528 173.464 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 14.5 p -126.83 150.69 49.06 Favored 'General case' 0 N--CA 1.469 0.515 0 CA-C-O 121.984 0.897 . . . . 0.0 112.796 155.976 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 20.1 m -107.74 152.97 23.64 Favored 'General case' 0 N--CA 1.469 0.504 0 C-N-CA 125.222 1.409 . . . . 0.0 111.576 176.718 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . 0.524 ' H ' HD23 ' A' ' 13' ' ' LEU . 1.8 pt? -57.78 -40.88 80.89 Favored 'General case' 0 N--CA 1.463 0.224 0 O-C-N 121.433 -0.792 . . . . 0.0 111.875 -172.331 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 22.3 p90 -67.42 -13.31 61.91 Favored 'General case' 0 CA--C 1.537 0.459 0 C-N-CA 125.112 1.365 . . . . 0.0 114.569 -174.992 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 3.9 pt20 -117.43 -24.82 7.21 Favored 'General case' 0 CA--C 1.535 0.385 0 C-N-CA 124.357 1.063 . . . . 0.0 111.06 179.734 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . 0.482 HD11 HG21 ' B' ' 18' ' ' VAL . 0.2 OUTLIER -76.05 -28.66 57.73 Favored 'General case' 0 CA--C 1.549 0.931 0 CA-C-N 118.946 0.793 . . . . 0.0 111.459 173.935 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 31.6 mt-10 -50.7 -32.26 18.92 Favored 'General case' 0 N--CA 1.481 1.11 0 C-N-CA 125.044 1.338 . . . . 0.0 112.013 167.072 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 1.2 t-20 -62.82 -23.97 67.53 Favored 'General case' 0 CA--C 1.542 0.657 0 C-N-CA 124.176 0.99 . . . . 0.0 112.967 -176.748 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 79.2 m-85 -84.29 -1.14 54.81 Favored 'General case' 0 CA--C 1.547 0.856 0 C-N-CA 125.907 1.683 . . . . 0.0 113.013 177.614 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 11.7 t -72.2 -23.24 61.23 Favored 'General case' 0 CA--C 1.546 0.81 0 C-N-CA 125.095 1.358 . . . . 0.0 112.923 168.54 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 35.2 m120 . . . . . 0 C--O 1.253 1.259 0 C-N-CA 125.669 1.588 . . . . 0.0 113.535 178.395 . . . . . . . . 0 0 . 1 . 021 nuclear nobuild full ' B' B ' 1' ' ' PHE . . . . . . . . . . . . . 41.4 t80 . . . . . 0 N--CA 1.487 1.386 0 CA-C-O 119.734 -0.174 . . . . 0.0 110.639 . . . . . . . . . 0 0 . 1 . 021 nuclear nobuild full ' B' B ' 2' ' ' VAL . . . . . . . . . . . . . 84.3 t -130.31 123.38 55.53 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.997 0 C-N-CA 124.843 1.257 . . . . 0.0 108.456 171.127 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' B' B ' 3' ' ' ASN . . . . . . . . . . . . . 60.3 m-20 -68.14 118.21 10.98 Favored 'General case' 0 CA--C 1.536 0.408 0 C-N-CA 123.639 0.775 . . . . 0.0 109.506 177.038 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' B' B ' 4' ' ' GLN . . . . . . . . . . . . . 11.7 pt20 -159.17 179.5 8.96 Favored 'General case' 0 CA--C 1.535 0.39 0 CA-C-O 121.243 0.544 . . . . 0.0 112.104 -165.848 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' B' B ' 5' ' ' HIS . . . . . 0.404 ' CE1' ' HA ' ' A' ' 9' ' ' SER . 68.4 m-70 -81.52 128.58 34.05 Favored 'General case' 0 CA--C 1.547 0.835 0 C-N-CA 124.459 1.104 . . . . 0.0 110.109 168.574 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 89.9 mt -135.21 137.93 43.12 Favored 'General case' 0 N--CA 1.471 0.615 0 C-N-CA 125.063 1.345 . . . . 0.0 110.701 -176.841 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' B' B ' 7' ' ' CYS . . . . . . . . . . . . . 2.5 t -155.68 148.05 23.76 Favored 'General case' 0 N--CA 1.469 0.51 0 O-C-N 121.558 -0.714 . . . . 0.0 111.834 179.142 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' B' B ' 8' ' ' GLY . . . . . . . . . . . . . . . 60.22 -129.59 47.84 Favored Glycine 0 CA--C 1.529 0.909 0 C-N-CA 123.859 0.742 . . . . 0.0 112.133 -179.181 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' B' B ' 9' ' ' SER . . . . . . . . . . . . . 20.3 m -53.81 -38.14 64.26 Favored 'General case' 0 N--CA 1.47 0.563 0 C-N-CA 124.575 1.15 . . . . 0.0 112.792 179.082 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' B' B ' 10' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -63.24 -38.97 93.24 Favored 'General case' 0 CA--C 1.542 0.638 0 O-C-N 121.24 -0.913 . . . . 0.0 112.568 177.342 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 14.8 tp -72.18 -43.11 65.03 Favored 'General case' 0 CA--C 1.535 0.369 0 C-N-CA 124.276 1.03 . . . . 0.0 110.823 177.332 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 73.4 t -60.43 -42.76 92.26 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.988 0 C-N-CA 123.798 0.839 . . . . 0.0 111.292 174.219 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 16.8 mt-10 -60.46 -43.25 97.07 Favored 'General case' 0 N--CA 1.469 0.501 0 C-N-CA 123.984 0.914 . . . . 0.0 112.455 173.938 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -62.5 -50.85 69.77 Favored 'General case' 0 CA--C 1.536 0.413 0 CA-C-N 118.702 0.683 . . . . 0.0 111.14 174.863 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 4.1 mm? -57.23 -34.79 68.93 Favored 'General case' 0 N--CA 1.47 0.558 0 CA-C-N 119.088 0.858 . . . . 0.0 112.182 176.902 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' B' B ' 16' ' ' TYR . . . . . . . . . . . . . 57.8 t80 -59.46 -40.36 86.62 Favored 'General case' 0 CA--C 1.54 0.567 0 CA-C-N 120.901 1.682 . . . . 0.0 112.532 171.432 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 87.0 mt -77.52 -37.43 50.98 Favored 'General case' 0 CA--C 1.539 0.54 0 N-CA-C 113.471 0.915 . . . . 0.0 113.471 -178.523 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' B' B ' 18' ' ' VAL . . . . . 0.482 HG21 HD11 ' A' ' 16' ' ' LEU . 0.1 OUTLIER -94.13 -27.76 4.34 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.557 0 N-CA-C 114.783 1.401 . . . . 0.0 114.783 -178.84 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild full ' B' B ' 19' ' ' CYS . . . . . . . . . . . . . 52.5 t -114.94 -41.5 3.34 Favored 'General case' 0 N--CA 1.475 0.802 0 C-N-CA 124.442 1.097 . . . . 0.0 112.826 -177.575 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . -72.94 -46.27 29.64 Favored Glycine 0 N--CA 1.474 1.2 0 C-N-CA 123.703 0.668 . . . . 0.0 112.739 -174.452 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 16.0 tm-20 -55.21 -28.46 53.23 Favored 'General case' 0 CA--C 1.544 0.733 0 C-N-CA 126.048 1.739 . . . . 0.0 112.898 178.432 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' B' B ' 22' ' ' ARG . . . . . . . . . . . . . 76.1 mmt-85 -67.42 -6.39 18.98 Favored 'General case' 0 CA--C 1.547 0.854 0 C-N-CA 125.372 1.469 . . . . 0.0 113.927 176.788 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . 109.85 31.19 3.22 Favored Glycine 0 N--CA 1.473 1.13 0 C-N-CA 126.438 1.971 . . . . 0.0 114.435 179.687 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' B' B ' 24' ' ' HIS . . . . . . . . . . . . . 95.1 m-70 50.34 -127.56 2.27 Favored 'General case' 0 CA--C 1.555 1.135 0 C-N-CA 126.456 1.903 . . . . 0.0 114.097 172.949 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' B' B ' 25' ' ' PHE . . . . . . . . . . . . . 26.0 t80 57.52 47.8 15.54 Favored 'General case' 0 N--CA 1.471 0.615 0 C-N-CA 126.518 1.927 . . . . 0.0 112.591 -177.977 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' B' B ' 26' ' ' TYR . . . . . . . . . . . . . 53.7 t80 -78.68 149.07 32.89 Favored 'General case' 0 CA--C 1.54 0.588 0 C-N-CA 124.205 1.002 . . . . 0.0 112.173 177.266 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' B' B ' 27' ' ' THR . . . . . . . . . . . . . 21.9 p -109.59 104.73 56.02 Favored Pre-proline 0 N--CA 1.474 0.75 0 C-N-CA 125.338 1.455 . . . . 0.0 109.658 177.168 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' B' B ' 28' ' ' PRO . . . . . . . . . . . . . 98.1 Cg_endo -73.61 155.2 49.88 Favored 'Trans proline' 0 C--N 1.35 0.636 0 C-N-CA 123.167 2.578 . . . . 0.0 111.273 -178.518 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 30.7 mtmm -137.11 150.26 47.88 Favored 'General case' 0 CA--C 1.544 0.737 0 C-N-CA 125.159 1.384 . . . . 0.0 111.922 -170.236 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' B' B ' 30' ' ' THR . . . . . . . . . . . . . 18.2 p . . . . . 0 C--O 1.252 1.224 0 C-N-CA 125.669 1.588 . . . . 0.0 113.763 178.493 . . . . . . . . 0 0 . 1 . 022 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.669 0 N-CA-C 112.422 -0.271 . . . . 0.0 112.422 . . . . . . . . . 0 0 . 1 . 022 nuclear nobuild full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 6.3 tp -58.19 -35.55 53.58 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.231 0 C-N-CA 125.535 1.534 . . . . 0.0 113.98 -172.149 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 95.9 t -62.4 -33.5 59.51 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.972 0 C-N-CA 123.665 0.786 . . . . 0.0 111.198 176.961 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 44.0 mt-10 -77.12 -9.2 58.59 Favored 'General case' 0 CA--C 1.543 0.707 0 C-N-CA 124.029 0.932 . . . . 0.0 112.734 177.595 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 8.2 tp-100 -95.59 -47.71 6.11 Favored 'General case' 0 CA--C 1.538 0.481 0 C-N-CA 124.695 1.198 . . . . 0.0 110.527 172.815 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 63.0 m -103.11 -29.51 11.29 Favored 'General case' 0 N--CA 1.47 0.545 0 N-CA-C 116.158 1.91 . . . . 0.0 116.158 -166.947 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 16.6 t -79.42 -26.84 41.78 Favored 'General case' 0 N--CA 1.478 0.972 0 CA-C-N 119.282 0.946 . . . . 0.0 113.153 178.113 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 5.9 t -75.6 -34.77 60.63 Favored 'General case' 0 N--CA 1.476 0.827 0 C-N-CA 125.01 1.324 . . . . 0.0 113.103 -179.623 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . 0.434 ' HA ' ' CE1' ' B' ' 5' ' ' HIS . 5.0 t -165.26 -172.38 2.49 Favored 'General case' 0 CA--C 1.543 0.684 0 C-N-CA 124.785 1.234 . . . . 0.0 112.072 -170.69 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 33.6 mm -58.29 128.98 19.74 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.623 0 C-N-CA 124.3 1.04 . . . . 0.0 110.531 172.674 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 15.6 p -125.64 150.03 47.93 Favored 'General case' 0 N--CA 1.469 0.494 0 C-N-CA 123.347 0.659 . . . . 0.0 112.096 165.036 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 50.9 m -106.54 153.33 22.48 Favored 'General case' 0 N--CA 1.471 0.587 0 C-N-CA 125.025 1.33 . . . . 0.0 112.449 -179.219 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . 0.533 ' H ' HD23 ' A' ' 13' ' ' LEU . 1.9 pt? -58.12 -40.19 80.6 Favored 'General case' 0 CA--C 1.53 0.2 0 C-N-CA 124.023 0.929 . . . . 0.0 112.106 -175.696 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 18.0 p90 -68.51 -13.33 62.25 Favored 'General case' 0 CA--C 1.536 0.433 0 C-N-CA 124.8 1.24 . . . . 0.0 114.329 -175.35 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 3.4 pt20 -114.62 -22.57 9.69 Favored 'General case' 0 C--O 1.223 -0.295 0 C-N-CA 124.043 0.937 . . . . 0.0 111.555 177.867 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . 0.476 HD11 HG21 ' B' ' 18' ' ' VAL . 0.3 OUTLIER -80.83 -25.77 37.54 Favored 'General case' 0 CA--C 1.548 0.87 0 CA-C-N 119.279 0.945 . . . . 0.0 111.805 175.96 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 20.1 mt-10 -54.05 -27.7 34.01 Favored 'General case' 0 N--CA 1.48 1.031 0 C-N-CA 124.144 0.977 . . . . 0.0 112.352 166.903 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 83.3 m-20 -64.12 -17.01 63.04 Favored 'General case' 0 CA--C 1.541 0.601 0 C-N-CA 123.912 0.885 . . . . 0.0 113.132 -176.202 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 77.7 m-85 -96.68 1.03 50.62 Favored 'General case' 0 CA--C 1.549 0.926 0 C-N-CA 126.87 2.068 . . . . 0.0 112.993 179.05 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 47.7 t -71.2 -30.11 65.99 Favored 'General case' 0 N--CA 1.474 0.725 0 C-N-CA 125.521 1.528 . . . . 0.0 113.473 176.577 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--O 1.253 1.267 0 C-N-CA 125.958 1.703 . . . . 0.0 113.239 179.154 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' B' B ' 1' ' ' PHE . . . . . . . . . . . . . 21.8 t80 . . . . . 0 N--CA 1.487 1.409 0 CA-C-O 119.625 -0.226 . . . . 0.0 110.504 . . . . . . . . . 0 0 . 1 . 022 nuclear nobuild full ' B' B ' 2' ' ' VAL . . . . . . . . . . . . . 17.8 m -134.79 139.23 47.93 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.054 0 C-N-CA 124.55 1.14 . . . . 0.0 109.988 166.189 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' B' B ' 3' ' ' ASN . . . . . . . . . . . . . 5.2 p30 -61.62 129.83 42.99 Favored 'General case' 0 CA--C 1.535 0.375 0 CA-C-O 120.707 0.289 . . . . 0.0 110.236 166.021 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' B' B ' 4' ' ' GLN . . . . . . . . . . . . . 20.4 pt20 -163.11 174.97 11.53 Favored 'General case' 0 CA--C 1.532 0.27 0 CA-C-O 121.531 0.682 . . . . 0.0 111.144 -169.464 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' B' B ' 5' ' ' HIS . . . . . 0.434 ' CE1' ' HA ' ' A' ' 9' ' ' SER . 78.3 m-70 -77.56 127.41 32.45 Favored 'General case' 0 CA--C 1.543 0.69 0 C-N-CA 124.063 0.945 . . . . 0.0 110.046 169.07 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 89.8 mt -135.19 129.3 33.53 Favored 'General case' 0 N--CA 1.471 0.597 0 C-N-CA 124.181 0.992 . . . . 0.0 111.037 -176.766 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' B' B ' 7' ' ' CYS . . . . . . . . . . . . . 2.1 t -155.23 146.38 22.7 Favored 'General case' 0 N--CA 1.469 0.481 0 C-N-CA 123.472 0.709 . . . . 0.0 111.313 178.811 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' B' B ' 8' ' ' GLY . . . . . . . . . . . . . . . 60.52 -128.08 44.77 Favored Glycine 0 CA--C 1.53 0.998 0 C-N-CA 123.783 0.706 . . . . 0.0 112.423 -178.753 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' B' B ' 9' ' ' SER . . . . . . . . . . . . . 8.6 t -55.5 -38.83 69.69 Favored 'General case' 0 N--CA 1.472 0.663 0 C-N-CA 123.9 0.88 . . . . 0.0 112.55 179.548 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' B' B ' 10' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -61.6 -39.77 92.42 Favored 'General case' 0 N--CA 1.473 0.702 0 O-C-N 120.959 -1.088 . . . . 0.0 112.461 176.411 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 17.8 tp -69.52 -44.73 70.42 Favored 'General case' 0 CA--C 1.533 0.316 0 C-N-CA 124.03 0.932 . . . . 0.0 110.777 177.684 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 82.2 t -59.78 -42.72 89.79 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.002 0 C-N-CA 123.662 0.785 . . . . 0.0 111.213 174.738 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 19.3 mt-10 -60.46 -45.94 91.89 Favored 'General case' 0 N--CA 1.468 0.428 0 C-N-CA 123.689 0.796 . . . . 0.0 112.379 173.747 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -62.62 -47.52 83.39 Favored 'General case' 0 CA--C 1.533 0.294 0 CA-C-N 119.184 0.902 . . . . 0.0 111.527 177.153 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -58.97 -35.17 72.73 Favored 'General case' 0 N--CA 1.466 0.357 0 CA-C-O 118.43 -0.795 . . . . 0.0 111.627 176.668 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' B' B ' 16' ' ' TYR . . . . . . . . . . . . . 87.4 t80 -60.44 -41.65 94.48 Favored 'General case' 0 CA--C 1.538 0.488 0 CA-C-N 121.047 1.749 . . . . 0.0 112.394 170.887 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 94.6 mt -70.44 -47.08 62.41 Favored 'General case' 0 CA--C 1.54 0.583 0 CA-C-O 118.882 -0.58 . . . . 0.0 112.426 -179.7 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' B' B ' 18' ' ' VAL . . . . . 0.476 HG21 HD11 ' A' ' 16' ' ' LEU . 0.0 OUTLIER -84.94 -35.59 10.21 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.509 0 N-CA-C 113.905 1.076 . . . . 0.0 113.905 -176.85 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild full ' B' B ' 19' ' ' CYS . . . . . . . . . . . . . 52.2 t -108.08 -42.5 4.64 Favored 'General case' 0 N--CA 1.471 0.595 0 C-N-CA 124.491 1.116 . . . . 0.0 112.625 -175.182 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . -69.31 -41.21 79.54 Favored Glycine 0 N--CA 1.47 0.953 0 C-N-CA 123.894 0.759 . . . . 0.0 112.705 -175.339 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 34.0 tt0 -61.07 -35.1 76.06 Favored 'General case' 0 CA--C 1.546 0.817 0 C-N-CA 123.86 0.864 . . . . 0.0 112.287 178.266 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' B' B ' 22' ' ' ARG . . . . . . . . . . . . . 17.4 ptm180 -88.53 3.22 51.06 Favored 'General case' 0 CA--C 1.548 0.872 0 C-N-CA 125.097 1.359 . . . . 0.0 114.36 175.253 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . 161.88 105.6 0.2 Allowed Glycine 0 N--CA 1.47 0.933 0 C-N-CA 125.903 1.716 . . . . 0.0 111.742 178.514 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' B' B ' 24' ' ' HIS . . . . . . . . . . . . . 93.3 m-70 -70.79 -21.09 62.52 Favored 'General case' 0 CA--C 1.547 0.831 0 N-CA-C 114.938 1.458 . . . . 0.0 114.938 -167.375 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' B' B ' 25' ' ' PHE . . . . . . . . . . . . . 89.7 t80 -77.73 126.2 30.5 Favored 'General case' 0 CA--C 1.54 0.559 0 C-N-CA 123.508 0.723 . . . . 0.0 110.724 171.721 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' B' B ' 26' ' ' TYR . . . . . . . . . . . . . 55.5 t80 -146.96 150.51 35.3 Favored 'General case' 0 CA--C 1.541 0.605 0 C-N-CA 125.377 1.471 . . . . 0.0 111.611 179.029 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' B' B ' 27' ' ' THR . . . . . . . . . . . . . 20.4 p -122.28 97.09 45.61 Favored Pre-proline 0 N--CA 1.473 0.708 0 C-N-CA 125.822 1.649 . . . . 0.0 110.258 -177.698 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' B' B ' 28' ' ' PRO . . . . . . . . . . . . . 91.1 Cg_endo -75.67 169.69 21.77 Favored 'Trans proline' 0 CA--C 1.539 0.765 0 C-N-CA 123.453 2.769 . . . . 0.0 111.25 174.47 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 65.1 mttm 57.87 -149.38 0.46 Allowed 'General case' 0 CA--C 1.554 1.102 0 C-N-CA 125.709 1.604 . . . . 0.0 113.003 177.58 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' B' B ' 30' ' ' THR . . . . . . . . . . . . . 13.5 t . . . . . 0 C--O 1.254 1.339 0 C-N-CA 127.175 2.19 . . . . 0.0 111.594 -177.053 . . . . . . . . 0 0 . 1 . 023 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.685 0 N-CA-C 112.337 -0.305 . . . . 0.0 112.337 . . . . . . . . . 0 0 . 1 . 023 nuclear nobuild full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 7.0 tp -56.02 -38.71 54.26 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.264 0 C-N-CA 125.836 1.655 . . . . 0.0 113.718 -171.427 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 88.3 t -61.59 -33.17 56.05 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.882 0 C-N-CA 124.164 0.985 . . . . 0.0 111.261 179.03 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 43.8 mt-10 -76.79 -7.31 55.17 Favored 'General case' 0 CA--C 1.542 0.664 0 C-N-CA 124.078 0.951 . . . . 0.0 112.916 179.304 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 10.6 tp60 -105.51 -44.77 4.61 Favored 'General case' 0 CA--C 1.538 0.504 0 C-N-CA 124.307 1.043 . . . . 0.0 111.385 172.372 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 60.0 m -93.16 -34.08 13.76 Favored 'General case' 0 N--CA 1.472 0.653 0 N-CA-C 115.632 1.716 . . . . 0.0 115.632 -172.694 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 10.9 t -78.63 -24.47 45.26 Favored 'General case' 0 N--CA 1.477 0.882 0 N-CA-C 113.349 0.87 . . . . 0.0 113.349 -179.706 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 5.5 t -81.39 -33.88 31.99 Favored 'General case' 0 N--CA 1.475 0.817 0 C-N-CA 124.916 1.286 . . . . 0.0 113.29 179.673 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . 0.423 ' HA ' ' CE1' ' B' ' 5' ' ' HIS . 5.5 t -163.62 -173.13 3.16 Favored 'General case' 0 CA--C 1.543 0.696 0 C-N-CA 124.513 1.125 . . . . 0.0 112.243 -169.823 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 34.3 mm -60.15 126.41 17.9 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.647 0 O-C-N 121.326 -0.858 . . . . 0.0 109.662 171.481 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 23.2 p -116.81 152.35 34.59 Favored 'General case' 0 N--CA 1.467 0.397 0 CA-C-O 121.521 0.677 . . . . 0.0 112.082 166.793 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 15.5 m -106.75 148.23 28.69 Favored 'General case' 0 N--CA 1.467 0.403 0 C-N-CA 123.773 0.829 . . . . 0.0 112.336 -174.286 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . 0.53 ' H ' HD23 ' A' ' 13' ' ' LEU . 1.9 pt? -56.51 -40.47 75.05 Favored 'General case' 0 N--CA 1.466 0.37 0 O-C-N 121.537 -0.727 . . . . 0.0 111.838 -175.732 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 15.5 p90 -67.42 -13.61 62.18 Favored 'General case' 0 CA--C 1.535 0.401 0 N-CA-C 114.709 1.374 . . . . 0.0 114.709 -175.662 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 3.0 pt20 -112.5 -32.22 6.54 Favored 'General case' 0 N--CA 1.464 0.256 0 C-N-CA 123.42 0.688 . . . . 0.0 110.501 177.05 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . 0.406 HD11 HG21 ' B' ' 18' ' ' VAL . 0.2 OUTLIER -71.27 -31.6 67.69 Favored 'General case' 0 CA--C 1.547 0.857 0 CA-C-N 118.987 0.812 . . . . 0.0 111.456 -177.849 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 29.2 mt-10 -50.74 -40.4 54.54 Favored 'General case' 0 N--CA 1.478 0.966 0 C-N-CA 124.961 1.304 . . . . 0.0 111.48 168.95 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 1.7 t-20 -59.71 -28.86 67.69 Favored 'General case' 0 CA--C 1.541 0.618 0 C-N-CA 124.551 1.14 . . . . 0.0 113.429 -171.098 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 88.3 m-85 -79.19 -9.7 59.63 Favored 'General case' 0 CA--C 1.544 0.716 0 C-N-CA 125.211 1.404 . . . . 0.0 113.627 179.425 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 12.9 t -70.21 -24.83 63.18 Favored 'General case' 0 CA--C 1.545 0.775 0 C-N-CA 123.872 0.869 . . . . 0.0 113.087 176.63 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 C--O 1.253 1.278 0 C-N-CA 126.17 1.788 . . . . 0.0 111.927 177.266 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' B' B ' 1' ' ' PHE . . . . . . . . . . . . . 51.0 t80 . . . . . 0 N--CA 1.485 1.312 0 CA-C-O 120.617 0.246 . . . . 0.0 110.792 . . . . . . . . . 0 0 . 1 . 023 nuclear nobuild full ' B' B ' 2' ' ' VAL . . . . . . . . . . . . . 9.7 p -149.17 131.98 6.79 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.768 0 C-N-CA 125.28 1.432 . . . . 0.0 108.673 166.229 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' B' B ' 3' ' ' ASN . . . . . . . . . . . . . 72.1 m-20 -60.76 121.24 11.78 Favored 'General case' 0 CA--C 1.533 0.314 0 N-CA-C 109.66 -0.496 . . . . 0.0 109.66 173.814 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' B' B ' 4' ' ' GLN . . . . . . . . . . . . . 18.3 pt20 -156.24 177.21 11.7 Favored 'General case' 0 CA--C 1.532 0.275 0 CA-C-O 121.675 0.75 . . . . 0.0 111.527 -168.528 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' B' B ' 5' ' ' HIS . . . . . 0.423 ' CE1' ' HA ' ' A' ' 9' ' ' SER . 78.0 m-70 -79.04 125.92 30.03 Favored 'General case' 0 CA--C 1.544 0.738 0 C-N-CA 124.289 1.036 . . . . 0.0 109.981 170.667 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 88.5 mt -136.7 133.41 36.1 Favored 'General case' 0 N--CA 1.472 0.666 0 C-N-CA 124.233 1.013 . . . . 0.0 111.214 -175.481 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' B' B ' 7' ' ' CYS . . . . . . . . . . . . . 2.3 t -157.9 145.83 18.68 Favored 'General case' 0 CA--C 1.535 0.389 0 C-N-CA 123.766 0.826 . . . . 0.0 111.133 179.718 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' B' B ' 8' ' ' GLY . . . . . . . . . . . . . . . 61.38 -125.9 38.62 Favored Glycine 0 N--CA 1.47 0.923 0 C-N-CA 123.779 0.704 . . . . 0.0 112.958 179.813 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' B' B ' 9' ' ' SER . . . . . . . . . . . . . 5.8 p -50.36 -44.31 54.56 Favored 'General case' 0 N--CA 1.471 0.593 0 C-N-CA 125.144 1.378 . . . . 0.0 112.794 175.569 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' B' B ' 10' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -63.74 -35.55 80.94 Favored 'General case' 0 N--CA 1.47 0.551 0 O-C-N 121.366 -0.834 . . . . 0.0 112.606 179.083 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 14.7 tp -71.65 -45.02 63.27 Favored 'General case' 0 CA--C 1.536 0.419 0 C-N-CA 123.989 0.916 . . . . 0.0 110.875 177.976 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 81.5 t -59.97 -43.71 93.0 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.012 0 C-N-CA 123.859 0.864 . . . . 0.0 111.113 173.717 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 24.2 mt-10 -59.64 -45.96 90.43 Favored 'General case' 0 N--CA 1.465 0.306 0 C-N-CA 123.995 0.918 . . . . 0.0 112.225 174.194 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -61.86 -49.6 75.6 Favored 'General case' 0 N--CA 1.454 -0.243 0 CA-C-N 119.149 0.886 . . . . 0.0 111.516 177.97 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 3.8 mm? -54.61 -38.56 66.94 Favored 'General case' 0 N--CA 1.47 0.572 0 CA-C-N 119.008 0.822 . . . . 0.0 111.839 177.229 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' B' B ' 16' ' ' TYR . . . . . . . . . . . . . 71.9 t80 -61.24 -45.63 93.73 Favored 'General case' 0 CA--C 1.537 0.443 0 CA-C-N 118.931 0.787 . . . . 0.0 112.299 171.71 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 95.6 mt -67.43 -47.39 70.34 Favored 'General case' 0 CA--C 1.539 0.521 0 CA-C-N 119.096 0.862 . . . . 0.0 112.847 -179.653 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' B' B ' 18' ' ' VAL . . . . . 0.406 HG21 HD11 ' A' ' 16' ' ' LEU . 0.0 OUTLIER -78.79 -33.25 16.31 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.345 0 CA-C-N 118.735 0.698 . . . . 0.0 112.706 -175.726 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild full ' B' B ' 19' ' ' CYS . . . . . . . . . . . . . 28.9 t -115.47 -45.89 2.9 Favored 'General case' 0 CA--C 1.541 0.6 0 N-CA-C 114.25 1.204 . . . . 0.0 114.25 -174.146 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . -79.18 -47.41 7.55 Favored Glycine 0 N--CA 1.477 1.409 0 C-N-CA 123.596 0.617 . . . . 0.0 114.389 -164.724 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 32.1 tt0 -63.18 -31.89 73.15 Favored 'General case' 0 CA--C 1.539 0.547 0 C-N-CA 125.757 1.623 . . . . 0.0 112.151 -179.115 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' B' B ' 22' ' ' ARG . . . . . . . . . . . . . 3.0 mmp_? -54.43 -22.13 11.72 Favored 'General case' 0 CA--C 1.543 0.704 0 C-N-CA 126.182 1.793 . . . . 0.0 113.766 -176.031 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . -70.98 -25.27 76.09 Favored Glycine 0 CA--C 1.529 0.936 0 C-N-CA 125.475 1.512 . . . . 0.0 114.569 177.662 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' B' B ' 24' ' ' HIS . . . . . . . . . . . . . 22.5 p80 -122.51 -21.46 5.72 Favored 'General case' 0 CA--C 1.549 0.921 0 N-CA-C 115.118 1.525 . . . . 0.0 115.118 177.321 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' B' B ' 25' ' ' PHE . . . . . . . . . . . . . 74.9 t80 -153.93 123.26 6.55 Favored 'General case' 0 CA--C 1.537 0.459 0 C-N-CA 124.457 1.103 . . . . 0.0 111.989 -179.286 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' B' B ' 26' ' ' TYR . . . . . . . . . . . . . 40.8 t80 -102.65 151.13 22.72 Favored 'General case' 0 CA--C 1.54 0.585 0 C-N-CA 124.824 1.249 . . . . 0.0 112.59 177.377 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' B' B ' 27' ' ' THR . . . . . . . . . . . . . 34.0 p -135.33 126.95 17.63 Favored Pre-proline 0 N--CA 1.473 0.69 0 C-N-CA 125.939 1.696 . . . . 0.0 109.053 168.145 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' B' B ' 28' ' ' PRO . . . . . . . . . . . . . 61.5 Cg_endo -82.45 154.05 15.99 Favored 'Trans proline' 0 CA--C 1.537 0.655 0 C-N-CA 123.125 2.55 . . . . 0.0 111.005 178.71 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 29.6 ttpt 69.33 166.58 0.27 Allowed 'General case' 0 CA--C 1.555 1.151 0 C-N-CA 126.593 1.957 . . . . 0.0 113.459 179.595 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' B' B ' 30' ' ' THR . . . . . . . . . . . . . 10.6 m . . . . . 0 C--O 1.253 1.26 0 C-N-CA 125.695 1.598 . . . . 0.0 112.143 175.736 . . . . . . . . 0 0 . 1 . 024 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.487 2.089 0 CA-C-O 121.836 0.686 . . . . 0.0 112.922 . . . . . . . . . 0 0 . 1 . 024 nuclear nobuild full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 7.5 tp -73.83 -40.64 53.54 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.229 0 C-N-CA 131.559 3.944 . . . . 0.0 113.406 -9.301 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 76.9 t -61.01 -43.81 96.91 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.175 0 C-N-CA 123.902 0.881 . . . . 0.0 111.094 -173.254 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 23.7 pt-20 -70.93 -5.99 35.04 Favored 'General case' 0 CA--C 1.547 0.864 0 N-CA-C 114.264 1.209 . . . . 0.0 114.264 176.595 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 36.3 tp60 -92.93 -52.69 4.48 Favored 'General case' 0 CA--C 1.54 0.558 0 CA-C-N 120.08 1.309 . . . . 0.0 110.892 165.075 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 65.4 m -90.51 -32.41 16.35 Favored 'General case' 0 N--CA 1.474 0.73 0 N-CA-C 116.144 1.905 . . . . 0.0 116.144 -167.683 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 18.3 t -75.7 -24.82 56.26 Favored 'General case' 0 N--CA 1.477 0.885 0 O-C-N 121.163 -0.961 . . . . 0.0 113.446 -178.088 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 6.5 t -95.19 -31.99 13.25 Favored 'General case' 0 N--CA 1.475 0.796 0 C-N-CA 125.388 1.475 . . . . 0.0 113.467 -177.006 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 59.2 m -146.99 171.43 15.26 Favored 'General case' 0 CA--C 1.543 0.708 0 C-N-CA 125.078 1.351 . . . . 0.0 112.189 -171.835 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 27.5 mm -56.97 125.43 12.91 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.819 0 O-C-N 121.215 -0.928 . . . . 0.0 109.177 167.899 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 18.1 p -117.02 150.42 38.64 Favored 'General case' 0 CA--C 1.534 0.342 0 CA-C-O 121.574 0.702 . . . . 0.0 111.822 168.147 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 13.5 m -107.09 152.48 23.97 Favored 'General case' 0 N--CA 1.469 0.514 0 C-N-CA 123.788 0.835 . . . . 0.0 112.68 -172.31 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . 0.551 ' H ' HD23 ' A' ' 13' ' ' LEU . 1.6 pt? -57.28 -40.01 76.87 Favored 'General case' 0 N--CA 1.467 0.383 0 O-C-N 121.533 -0.729 . . . . 0.0 111.885 -174.305 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 21.1 p90 -69.71 -10.28 57.69 Favored 'General case' 0 CA--C 1.537 0.48 0 C-N-CA 125.054 1.342 . . . . 0.0 114.589 -176.3 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 3.6 pt20 -118.9 -30.94 4.92 Favored 'General case' 0 C--O 1.222 -0.393 0 C-N-CA 123.786 0.834 . . . . 0.0 111.003 -179.784 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . 0.438 HD11 HG21 ' B' ' 18' ' ' VAL . 0.2 OUTLIER -70.68 -33.14 70.6 Favored 'General case' 0 CA--C 1.549 0.92 0 CA-C-N 119.324 0.965 . . . . 0.0 111.145 176.181 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 14.6 mt-10 -47.99 -35.99 11.91 Favored 'General case' 0 N--CA 1.479 0.996 0 C-N-CA 126.147 1.779 . . . . 0.0 112.811 170.141 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 81.0 m-20 -61.63 -18.44 59.46 Favored 'General case' 0 CA--C 1.539 0.547 0 C-N-CA 124.809 1.244 . . . . 0.0 113.519 -173.934 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 88.5 m-85 -99.49 1.93 44.45 Favored 'General case' 0 CA--C 1.546 0.809 0 C-N-CA 126.37 1.868 . . . . 0.0 113.679 -176.188 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 49.0 t -67.1 -33.67 75.98 Favored 'General case' 0 N--CA 1.474 0.729 0 N-CA-C 113.168 0.803 . . . . 0.0 113.168 176.113 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--O 1.253 1.268 0 C-N-CA 125.763 1.625 . . . . 0.0 113.037 176.754 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' B' B ' 1' ' ' PHE . . . . . . . . . . . . . 56.3 t80 . . . . . 0 N--CA 1.486 1.358 0 N-CA-C 110.77 -0.085 . . . . 0.0 110.77 . . . . . . . . . 0 0 . 1 . 024 nuclear nobuild full ' B' B ' 2' ' ' VAL . . . . . . . . . . . . . 11.5 p -143.98 131.96 18.14 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.805 0 C-N-CA 125.001 1.321 . . . . 0.0 109.112 166.938 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' B' B ' 3' ' ' ASN . . . . . . . . . . . . . 72.0 m-20 -61.07 121.77 13.3 Favored 'General case' 0 CA--C 1.533 0.324 0 N-CA-C 109.597 -0.52 . . . . 0.0 109.597 173.531 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' B' B ' 4' ' ' GLN . . . . . . . . . . . . . 21.0 pt20 -157.27 177.93 10.91 Favored 'General case' 0 CA--C 1.532 0.276 0 CA-C-O 121.638 0.732 . . . . 0.0 111.528 -169.177 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' B' B ' 5' ' ' HIS . . . . . . . . . . . . . 75.9 m-70 -81.63 129.53 34.73 Favored 'General case' 0 CA--C 1.544 0.72 0 C-N-CA 124.105 0.962 . . . . 0.0 110.087 169.865 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' B' B ' 6' ' ' LEU . . . . . 0.454 HD13 ' CB ' ' B' ' 14' ' ' ALA . 74.8 mt -139.52 133.12 30.4 Favored 'General case' 0 N--CA 1.471 0.582 0 C-N-CA 124.532 1.133 . . . . 0.0 111.19 -172.76 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' B' B ' 7' ' ' CYS . . . . . . . . . . . . . 1.6 t -156.09 147.48 22.61 Favored 'General case' 0 N--CA 1.468 0.473 0 C-N-CA 123.589 0.756 . . . . 0.0 111.385 179.22 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' B' B ' 8' ' ' GLY . . . . . . . . . . . . . . . 59.9 -128.88 47.32 Favored Glycine 0 N--CA 1.471 1.027 0 C-N-CA 123.919 0.771 . . . . 0.0 112.548 -179.19 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' B' B ' 9' ' ' SER . . . . . . . . . . . . . 20.4 m -55.5 -36.04 66.23 Favored 'General case' 0 N--CA 1.471 0.619 0 C-N-CA 124.558 1.143 . . . . 0.0 113.014 178.946 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' B' B ' 10' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -64.11 -36.92 85.62 Favored 'General case' 0 CA--C 1.541 0.631 0 O-C-N 121.26 -0.9 . . . . 0.0 112.322 175.593 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 15.8 tp -73.17 -42.13 63.1 Favored 'General case' 0 CA--C 1.536 0.418 0 C-N-CA 124.434 1.094 . . . . 0.0 111.256 178.135 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 91.4 t -59.44 -43.11 89.74 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.044 0 C-N-CA 124.021 0.928 . . . . 0.0 111.138 171.636 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 15.7 mm-40 -60.63 -49.6 76.89 Favored 'General case' 0 C--O 1.223 -0.318 0 CA-C-O 118.536 -0.745 . . . . 0.0 111.582 171.69 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' B' B ' 14' ' ' ALA . . . . . 0.544 ' O ' HG22 ' B' ' 18' ' ' VAL . . . -54.54 -49.22 70.79 Favored 'General case' 0 CA--C 1.531 0.238 0 CA-C-N 120.189 1.359 . . . . 0.0 111.905 179.698 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 4.0 mm? -54.65 -38.65 67.15 Favored 'General case' 0 N--CA 1.471 0.608 0 CA-C-N 119.031 0.832 . . . . 0.0 112.201 174.802 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' B' B ' 16' ' ' TYR . . . . . . . . . . . . . 76.2 t80 -64.34 -41.93 96.53 Favored 'General case' 0 CA--C 1.543 0.68 0 O-C-N 121.306 -0.871 . . . . 0.0 112.586 171.218 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 90.9 mt -68.99 -46.48 67.95 Favored 'General case' 0 CA--C 1.537 0.48 0 O-C-N 121.278 -0.889 . . . . 0.0 112.8 -178.965 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' B' B ' 18' ' ' VAL . . . . . 0.544 HG22 ' O ' ' B' ' 14' ' ' ALA . 0.0 OUTLIER -71.2 -48.96 51.69 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.117 0 CA-C-N 118.451 0.569 . . . . 0.0 111.699 177.273 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild full ' B' B ' 19' ' ' CYS . . . . . . . . . . . . . 17.2 t -109.71 -42.64 4.22 Favored 'General case' 0 N--CA 1.47 0.542 0 N-CA-C 113.738 1.014 . . . . 0.0 113.738 -167.957 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . -70.19 -36.56 71.44 Favored Glycine 0 N--CA 1.477 1.371 0 CA-C-N 118.778 0.717 . . . . 0.0 113.821 -170.2 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 8.9 mm-40 -59.54 -20.11 53.2 Favored 'General case' 0 CA--C 1.543 0.681 0 C-N-CA 126.599 1.959 . . . . 0.0 113.938 175.98 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' B' B ' 22' ' ' ARG . . . . . . . . . . . . . 92.9 mtt180 -76.21 -15.39 60.05 Favored 'General case' 0 CA--C 1.543 0.69 0 C-N-CA 124.122 0.969 . . . . 0.0 113.346 178.249 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . 85.96 133.13 3.16 Favored Glycine 0 CA--C 1.53 1.023 0 C-N-CA 125.823 1.677 . . . . 0.0 113.039 176.924 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' B' B ' 24' ' ' HIS . . . . . . . . . . . . . 91.4 m-70 -133.94 -0.52 3.09 Favored 'General case' 0 CA--C 1.551 0.999 0 C-N-CA 124.978 1.311 . . . . 0.0 114.054 -175.791 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' B' B ' 25' ' ' PHE . . . . . . . . . . . . . 76.5 t80 -163.48 148.02 10.84 Favored 'General case' 0 CA--C 1.538 0.506 0 C-N-CA 126.204 1.801 . . . . 0.0 110.819 -176.74 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' B' B ' 26' ' ' TYR . . . . . . . . . . . . . 5.1 t80 -146.57 147.63 31.31 Favored 'General case' 0 CA--C 1.541 0.599 0 C-N-CA 125.396 1.478 . . . . 0.0 112.082 174.973 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' B' B ' 27' ' ' THR . . . . . 0.529 ' H ' ' CA ' ' B' ' 28' ' ' PRO . 4.9 t -157.52 -8.12 0.0 OUTLIER Pre-proline 0 CA--C 1.553 1.09 0 N-CA-C 118.012 2.597 . . . . 0.0 118.012 -179.956 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' B' B ' 28' ' ' PRO . . . . . 0.529 ' CA ' ' H ' ' B' ' 27' ' ' THR . 72.8 Cg_endo -71.14 160.03 92.74 Favored 'Cis proline' 0 C--N 1.361 1.2 0 CA-C-N 125.169 2.882 . . . . 0.0 113.186 -3.172 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 6.1 ttpp -77.32 21.72 0.24 Allowed 'General case' 0 CA--C 1.556 1.183 0 N-CA-C 114.564 1.32 . . . . 0.0 114.564 -177.825 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' B' B ' 30' ' ' THR . . . . . . . . . . . . . 27.1 m . . . . . 0 N--CA 1.488 1.466 0 C-N-CA 130.254 3.422 . . . . 0.0 111.024 -176.445 . . . . . . . . 0 0 . 1 . 025 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.479 1.541 0 CA-C-O 120.205 -0.219 . . . . 0.0 112.754 . . . . . . . . . 0 0 . 1 . 025 nuclear nobuild full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 8.6 tp -66.64 -34.35 69.49 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.209 0 N-CA-C 114.479 1.288 . . . . 0.0 114.479 -168.886 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 89.5 t -63.31 -40.9 90.78 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.004 0 CA-C-N 119.179 0.9 . . . . 0.0 109.892 -179.839 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 2.6 mp0 -71.69 1.86 6.15 Favored 'General case' 0 CA--C 1.547 0.832 0 C-N-CA 125.351 1.46 . . . . 0.0 113.686 175.587 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 16.6 tp60 -113.05 -51.85 2.81 Favored 'General case' 0 CA--C 1.538 0.511 0 C-N-CA 124.664 1.185 . . . . 0.0 111.49 169.528 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 1.6 t -100.26 -21.91 15.31 Favored 'General case' 0 N--CA 1.472 0.647 0 N-CA-C 115.221 1.563 . . . . 0.0 115.221 -168.188 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 21.5 t -78.19 -29.62 48.54 Favored 'General case' 0 N--CA 1.477 0.878 0 O-C-N 120.854 -1.153 . . . . 0.0 112.687 169.48 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 6.5 t -85.53 -32.12 22.35 Favored 'General case' 0 N--CA 1.476 0.829 0 C-N-CA 124.926 1.29 . . . . 0.0 113.022 177.628 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 5.5 t -150.61 -175.07 4.96 Favored 'General case' 0 CA--C 1.543 0.707 0 C-N-CA 124.154 0.981 . . . . 0.0 112.712 -175.93 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 29.6 mm -66.31 137.0 25.72 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.59 0 O-C-N 120.804 -1.185 . . . . 0.0 110.054 172.764 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 15.4 p -122.79 154.87 37.63 Favored 'General case' 0 N--CA 1.471 0.58 0 CA-C-O 121.875 0.845 . . . . 0.0 112.839 161.513 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 19.2 m -107.36 151.23 25.78 Favored 'General case' 0 N--CA 1.469 0.483 0 C-N-CA 125.054 1.342 . . . . 0.0 111.636 179.258 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . 0.493 ' H ' HD23 ' A' ' 13' ' ' LEU . 1.8 pt? -59.22 -39.0 81.33 Favored 'General case' 0 N--CA 1.465 0.31 0 O-C-N 121.28 -0.887 . . . . 0.0 112.138 -174.037 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 18.3 p90 -69.51 -13.21 62.22 Favored 'General case' 0 CA--C 1.535 0.382 0 C-N-CA 125.067 1.347 . . . . 0.0 114.093 -174.418 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 4.0 pt20 -113.21 -30.83 6.82 Favored 'General case' 0 C--O 1.222 -0.37 0 C-N-CA 124.144 0.978 . . . . 0.0 110.515 177.009 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . 0.496 HD11 HG21 ' B' ' 18' ' ' VAL . 0.3 OUTLIER -71.17 -26.84 63.15 Favored 'General case' 0 CA--C 1.546 0.826 0 CA-C-N 120.134 1.334 . . . . 0.0 112.173 -179.57 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 31.8 mt-10 -50.23 -36.21 30.06 Favored 'General case' 0 N--CA 1.479 1.021 0 C-N-CA 124.157 0.983 . . . . 0.0 111.984 169.494 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 62.2 m-20 -61.46 -24.54 66.63 Favored 'General case' 0 CA--C 1.54 0.59 0 C-N-CA 124.721 1.208 . . . . 0.0 112.908 -172.119 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 86.2 m-85 -88.46 -6.98 57.3 Favored 'General case' 0 CA--C 1.542 0.637 0 C-N-CA 126.304 1.841 . . . . 0.0 113.482 -176.737 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 19.0 t -68.42 -28.99 67.57 Favored 'General case' 0 CA--C 1.544 0.733 0 C-N-CA 123.715 0.806 . . . . 0.0 113.001 176.466 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--O 1.255 1.349 0 C-N-CA 127.308 2.243 . . . . 0.0 112.423 177.131 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' B' B ' 1' ' ' PHE . . . . . . . . . . . . . 69.3 t80 . . . . . 0 N--CA 1.487 1.379 0 N-CA-C 110.717 -0.105 . . . . 0.0 110.717 . . . . . . . . . 0 0 . 1 . 025 nuclear nobuild full ' B' B ' 2' ' ' VAL . . . . . . . . . . . . . 84.0 t -132.95 124.67 50.68 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.977 0 C-N-CA 125.129 1.371 . . . . 0.0 108.472 170.346 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' B' B ' 3' ' ' ASN . . . . . . . . . . . . . 9.0 m120 -62.3 111.81 2.15 Favored 'General case' 0 CA--C 1.537 0.449 0 C-N-CA 124.234 1.013 . . . . 0.0 109.974 173.901 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' B' B ' 4' ' ' GLN . . . . . . . . . . . . . 11.9 pt20 -156.98 175.94 13.43 Favored 'General case' 0 CA--C 1.535 0.368 0 C-N-CA 123.577 0.751 . . . . 0.0 111.268 -170.863 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' B' B ' 5' ' ' HIS . . . . . . . . . . . . . 67.2 m-70 -81.49 127.72 33.12 Favored 'General case' 0 CA--C 1.546 0.791 0 C-N-CA 124.446 1.098 . . . . 0.0 109.915 168.91 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 93.6 mt -132.12 136.31 47.04 Favored 'General case' 0 N--CA 1.47 0.55 0 C-N-CA 125.231 1.412 . . . . 0.0 110.639 -175.599 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' B' B ' 7' ' ' CYS . . . . . . . . . . . . . 2.0 t -154.83 147.34 24.12 Favored 'General case' 0 N--CA 1.469 0.498 0 O-C-N 121.601 -0.687 . . . . 0.0 111.792 -179.672 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' B' B ' 8' ' ' GLY . . . . . . . . . . . . . . . 59.38 -128.42 47.1 Favored Glycine 0 CA--C 1.53 0.981 0 C-N-CA 123.917 0.77 . . . . 0.0 112.259 -179.582 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' B' B ' 9' ' ' SER . . . . . . . . . . . . . 20.3 m -53.57 -39.36 64.73 Favored 'General case' 0 N--CA 1.47 0.557 0 C-N-CA 124.568 1.147 . . . . 0.0 112.682 178.589 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' B' B ' 10' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -62.83 -37.42 86.71 Favored 'General case' 0 CA--C 1.543 0.699 0 O-C-N 121.247 -0.908 . . . . 0.0 112.562 177.899 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 15.3 tp -73.58 -43.15 60.48 Favored 'General case' 0 CA--C 1.535 0.394 0 C-N-CA 124.411 1.085 . . . . 0.0 110.967 177.842 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 75.1 t -59.79 -43.6 92.11 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.987 0 C-N-CA 124.03 0.932 . . . . 0.0 111.267 173.291 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 23.4 mt-10 -59.05 -45.54 90.51 Favored 'General case' 0 N--CA 1.466 0.333 0 C-N-CA 124.19 0.996 . . . . 0.0 112.188 173.633 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -61.12 -49.16 78.41 Favored 'General case' 0 CA--C 1.534 0.33 0 CA-C-N 119.0 0.818 . . . . 0.0 111.532 176.971 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 3.9 mm? -55.49 -39.6 70.63 Favored 'General case' 0 N--CA 1.47 0.567 0 CA-C-N 118.7 0.682 . . . . 0.0 112.028 176.667 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' B' B ' 16' ' ' TYR . . . . . . . . . . . . . 84.1 t80 -60.25 -45.11 94.4 Favored 'General case' 0 N--CA 1.466 0.372 0 CA-C-N 119.073 0.851 . . . . 0.0 112.216 172.374 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 96.3 mt -65.09 -50.45 66.06 Favored 'General case' 0 CA--C 1.539 0.551 0 CA-C-N 118.725 0.693 . . . . 0.0 111.925 179.321 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' B' B ' 18' ' ' VAL . . . . . 0.496 HG21 HD11 ' A' ' 16' ' ' LEU . 0.0 OUTLIER -76.64 -37.94 29.98 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.287 0 CA-C-N 118.701 0.682 . . . . 0.0 112.455 -174.308 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild full ' B' B ' 19' ' ' CYS . . . . . . . . . . . . . 28.6 t -104.34 -39.19 6.55 Favored 'General case' 0 CA--C 1.538 0.508 0 N-CA-C 113.64 0.978 . . . . 0.0 113.64 -172.361 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . -84.18 -54.36 3.04 Favored Glycine 0 N--CA 1.472 1.082 0 C-N-CA 124.317 0.96 . . . . 0.0 113.136 -173.735 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 37.2 tt0 -75.79 -48.48 21.49 Favored 'General case' 0 CA--C 1.539 0.525 0 C-N-CA 124.745 1.218 . . . . 0.0 111.291 -179.062 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' B' B ' 22' ' ' ARG . . . . . . . . . . . . . 28.9 ttt-85 38.24 59.25 1.45 Allowed 'General case' 0 CA--C 1.541 0.603 0 C-N-CA 127.409 2.284 . . . . 0.0 115.435 170.553 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . -62.73 155.42 41.48 Favored Glycine 0 CA--C 1.535 1.295 0 C-N-CA 124.93 1.253 . . . . 0.0 113.486 -179.43 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' B' B ' 24' ' ' HIS . . . . . . . . . . . . . 99.3 m-70 -63.95 145.04 56.57 Favored 'General case' 0 CA--C 1.546 0.822 0 N-CA-C 114.279 1.214 . . . . 0.0 114.279 -172.836 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' B' B ' 25' ' ' PHE . . . . . . . . . . . . . 73.9 t80 -163.1 155.51 18.46 Favored 'General case' 0 CA--C 1.542 0.656 0 C-N-CA 126.535 1.934 . . . . 0.0 110.633 -179.349 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' B' B ' 26' ' ' TYR . . . . . . . . . . . . . 59.2 t80 -67.31 150.4 49.06 Favored 'General case' 0 CA--C 1.544 0.722 0 N-CA-C 113.69 0.996 . . . . 0.0 113.69 -179.136 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' B' B ' 27' ' ' THR . . . . . . . . . . . . . 18.1 p -129.48 117.18 18.62 Favored Pre-proline 0 N--CA 1.473 0.677 0 C-N-CA 125.633 1.573 . . . . 0.0 109.557 174.313 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' B' B ' 28' ' ' PRO . . . . . . . . . . . . . 44.6 Cg_endo -80.82 63.46 8.78 Favored 'Trans proline' 0 CA--C 1.54 0.816 0 C-N-CA 124.41 3.407 . . . . 0.0 111.35 -179.683 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 61.1 tttt 70.1 23.73 5.21 Favored 'General case' 0 CA--C 1.552 1.053 0 C-N-CA 127.112 2.165 . . . . 0.0 113.114 179.065 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' B' B ' 30' ' ' THR . . . . . . . . . . . . . 7.5 m . . . . . 0 C--O 1.253 1.253 0 C-N-CA 127.294 2.237 . . . . 0.0 113.02 179.483 . . . . . . . . 0 0 . 1 . 026 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.482 1.732 0 N-CA-C 112.37 -0.292 . . . . 0.0 112.37 . . . . . . . . . 0 0 . 1 . 026 nuclear nobuild full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 7.7 tp -58.06 -32.51 44.11 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.322 0 C-N-CA 125.36 1.464 . . . . 0.0 114.156 -172.345 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 60.5 t -61.66 -35.1 65.24 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.989 0 C-N-CA 123.759 0.824 . . . . 0.0 110.985 176.688 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 41.9 mt-10 -77.05 -8.41 57.4 Favored 'General case' 0 CA--C 1.545 0.752 0 C-N-CA 124.345 1.058 . . . . 0.0 112.486 176.226 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 13.0 tp60 -99.35 -40.17 8.04 Favored 'General case' 0 CA--C 1.539 0.526 0 C-N-CA 124.527 1.131 . . . . 0.0 111.93 176.066 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -119.49 -17.35 8.75 Favored 'General case' 0 N--CA 1.481 1.075 0 N-CA-C 117.327 2.343 . . . . 0.0 117.327 -172.679 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 35.0 t -89.44 -32.03 17.43 Favored 'General case' 0 N--CA 1.478 0.973 0 N-CA-C 113.72 1.008 . . . . 0.0 113.72 177.441 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 6.5 t -69.0 -40.35 78.8 Favored 'General case' 0 N--CA 1.481 1.081 0 C-N-CA 124.186 0.994 . . . . 0.0 111.951 175.331 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . 0.447 ' HA ' ' CE1' ' B' ' 5' ' ' HIS . 5.7 t -166.44 -174.6 2.91 Favored 'General case' 0 CA--C 1.534 0.354 0 C-N-CA 127.768 2.427 . . . . 0.0 109.789 173.44 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 16.9 mt -71.84 136.79 24.98 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.461 0 C-N-CA 124.381 1.072 . . . . 0.0 112.971 -163.137 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 13.9 p -115.46 163.28 15.97 Favored 'General case' 0 CA--C 1.539 0.535 0 C-N-CA 124.562 1.145 . . . . 0.0 113.036 169.11 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 63.9 m -108.19 157.47 18.29 Favored 'General case' 0 N--CA 1.47 0.561 0 C-N-CA 125.04 1.336 . . . . 0.0 112.676 173.742 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . 0.503 ' H ' HD23 ' A' ' 13' ' ' LEU . 1.5 pt? -58.56 -38.74 78.5 Favored 'General case' 0 N--CA 1.463 0.221 0 C-N-CA 123.83 0.852 . . . . 0.0 112.657 -173.084 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 25.0 p90 -70.5 -11.84 61.18 Favored 'General case' 0 CA--C 1.536 0.437 0 C-N-CA 125.308 1.443 . . . . 0.0 114.314 -174.207 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 3.9 pt20 -120.63 -24.46 5.76 Favored 'General case' 0 CA--C 1.534 0.359 0 C-N-CA 124.322 1.049 . . . . 0.0 111.727 -177.116 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . 0.43 HD23 ' HA ' ' A' ' 13' ' ' LEU . 0.3 OUTLIER -73.73 -34.18 64.66 Favored 'General case' 0 CA--C 1.542 0.646 0 C-N-CA 124.252 1.021 . . . . 0.0 111.094 174.15 . . . . . . . . 3 3 . 1 . 026 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -73.15 -16.74 61.44 Favored 'General case' 0 N--CA 1.469 0.5 0 N-CA-C 113.704 1.001 . . . . 0.0 113.704 -177.897 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -57.76 -26.35 61.74 Favored 'General case' 0 CA--C 1.544 0.746 0 C-N-CA 123.993 0.917 . . . . 0.0 112.07 168.602 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 88.7 m-85 -87.59 0.31 55.81 Favored 'General case' 0 CA--C 1.545 0.756 0 C-N-CA 125.229 1.411 . . . . 0.0 113.785 179.104 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 51.2 t -58.03 -43.25 86.67 Favored 'General case' 0 N--CA 1.47 0.556 0 C-N-CA 123.767 0.827 . . . . 0.0 113.005 -178.174 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 17.4 m120 . . . . . 0 C--O 1.253 1.28 0 C-N-CA 124.954 1.301 . . . . 0.0 112.421 -173.991 . . . . . . . . 0 0 . 1 . 026 nuclear nobuild full ' B' B ' 1' ' ' PHE . . . . . . . . . . . . . 74.3 t80 . . . . . 0 N--CA 1.487 1.382 0 CA-C-O 119.818 -0.134 . . . . 0.0 110.702 . . . . . . . . . 0 0 . 1 . 026 nuclear nobuild full ' B' B ' 2' ' ' VAL . . . . . . . . . . . . . 91.8 t -132.57 123.74 50.04 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.043 0 C-N-CA 124.957 1.303 . . . . 0.0 108.332 170.313 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' B' B ' 3' ' ' ASN . . . . . . . . . . . . . 5.1 m120 -67.73 111.44 4.26 Favored 'General case' 0 CA--C 1.543 0.676 0 C-N-CA 124.55 1.14 . . . . 0.0 109.316 175.911 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' B' B ' 4' ' ' GLN . . . . . . . . . . . . . 15.1 pt20 -157.27 179.79 8.93 Favored 'General case' 0 CA--C 1.537 0.451 0 C-N-CA 124.677 1.191 . . . . 0.0 111.751 -170.392 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' B' B ' 5' ' ' HIS . . . . . 0.447 ' CE1' ' HA ' ' A' ' 9' ' ' SER . 88.6 m-70 -80.63 127.36 32.38 Favored 'General case' 0 CA--C 1.541 0.631 0 C-N-CA 124.397 1.079 . . . . 0.0 110.673 171.885 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 94.6 mt -134.55 136.84 43.32 Favored 'General case' 0 N--CA 1.47 0.574 0 C-N-CA 124.273 1.029 . . . . 0.0 110.738 -176.307 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' B' B ' 7' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -155.35 147.39 23.53 Favored 'General case' 0 N--CA 1.468 0.45 0 C-N-CA 123.734 0.814 . . . . 0.0 111.492 -178.381 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' B' B ' 8' ' ' GLY . . . . . . . . . . . . . . . 57.39 -124.61 36.51 Favored Glycine 0 CA--C 1.529 0.947 0 C-N-CA 124.069 0.842 . . . . 0.0 113.042 177.639 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' B' B ' 9' ' ' SER . . . . . . . . . . . . . 8.9 t -55.85 -40.03 72.3 Favored 'General case' 0 CA--C 1.541 0.621 0 C-N-CA 123.775 0.83 . . . . 0.0 112.391 178.29 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' B' B ' 10' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -63.08 -33.15 74.83 Favored 'General case' 0 N--CA 1.473 0.709 0 O-C-N 120.798 -1.188 . . . . 0.0 112.805 177.074 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 14.3 tp -74.22 -43.56 56.63 Favored 'General case' 0 CA--C 1.538 0.493 0 C-N-CA 124.865 1.266 . . . . 0.0 110.847 178.047 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 86.9 t -61.2 -42.66 94.25 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.162 0 C-N-CA 124.111 0.965 . . . . 0.0 111.265 172.034 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 25.2 mt-10 -57.88 -47.43 82.78 Favored 'General case' 0 N--CA 1.465 0.277 0 C-N-CA 123.67 0.788 . . . . 0.0 111.654 172.628 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' B' B ' 14' ' ' ALA . . . . . 0.401 ' O ' HG23 ' B' ' 18' ' ' VAL . . . -59.74 -45.5 92.02 Favored 'General case' 0 CA--C 1.535 0.401 0 CA-C-N 119.39 0.995 . . . . 0.0 112.341 178.179 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 3.4 mm? -56.87 -38.07 72.23 Favored 'General case' 0 N--CA 1.468 0.47 0 CA-C-N 118.569 0.622 . . . . 0.0 112.169 174.63 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' B' B ' 16' ' ' TYR . . . . . . . . . . . . . 68.0 t80 -63.95 -43.49 95.65 Favored 'General case' 0 CA--C 1.538 0.5 0 CA-C-N 118.946 0.794 . . . . 0.0 111.901 172.991 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 97.4 mt -65.3 -43.55 90.73 Favored 'General case' 0 CA--C 1.533 0.31 0 CA-C-O 118.544 -0.741 . . . . 0.0 112.58 -179.782 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' B' B ' 18' ' ' VAL . . . . . 0.401 HG23 ' O ' ' B' ' 14' ' ' ALA . 0.2 OUTLIER -78.21 -51.32 17.83 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.059 0 CA-C-N 118.967 0.803 . . . . 0.0 111.755 178.46 . . . . . . . . 3 3 . 1 . 026 nuclear nobuild full ' B' B ' 19' ' ' CYS . . . . . . . . . . . . . 34.2 t -98.25 -39.53 8.8 Favored 'General case' 0 CA--C 1.541 0.606 0 N-CA-C 113.487 0.921 . . . . 0.0 113.487 -166.898 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . -78.85 -35.69 30.71 Favored Glycine 0 N--CA 1.474 1.231 0 C-N-CA 124.334 0.968 . . . . 0.0 114.235 -171.845 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 7.3 mm-40 -62.25 -14.64 40.6 Favored 'General case' 0 CA--C 1.545 0.755 0 C-N-CA 125.839 1.655 . . . . 0.0 113.967 175.793 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' B' B ' 22' ' ' ARG . . . . . . . . . . . . . 97.3 mtt180 -67.66 -25.47 65.73 Favored 'General case' 0 CA--C 1.541 0.613 0 C-N-CA 124.592 1.157 . . . . 0.0 113.157 176.305 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . 73.53 -177.84 43.06 Favored Glycine 0 CA--C 1.531 1.055 0 C-N-CA 124.732 1.158 . . . . 0.0 113.129 -174.557 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' B' B ' 24' ' ' HIS . . . . . . . . . . . . . 89.2 m-70 73.39 -41.28 0.49 Allowed 'General case' 0 N--CA 1.482 1.152 0 C-N-CA 128.43 2.692 . . . . 0.0 114.846 173.862 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' B' B ' 25' ' ' PHE . . . . . . . . . . . . . 87.2 t80 -162.17 133.93 5.42 Favored 'General case' 0 CA--C 1.539 0.522 0 C-N-CA 126.079 1.751 . . . . 0.0 111.115 177.577 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' B' B ' 26' ' ' TYR . . . . . . . . . . . . . 41.4 t80 -154.7 150.9 28.12 Favored 'General case' 0 CA--C 1.541 0.619 0 C-N-CA 126.327 1.851 . . . . 0.0 110.875 178.064 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' B' B ' 27' ' ' THR . . . . . . . . . . . . . 3.2 p -126.28 97.6 34.15 Favored Pre-proline 0 N--CA 1.473 0.683 0 C-N-CA 125.849 1.66 . . . . 0.0 109.571 -178.909 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' B' B ' 28' ' ' PRO . . . . . . . . . . . . . 86.4 Cg_endo -76.51 172.35 16.38 Favored 'Trans proline' 0 C--N 1.352 0.722 0 C-N-CA 123.964 3.109 . . . . 0.0 112.001 179.678 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 63.0 tttm -142.37 144.71 33.28 Favored 'General case' 0 CA--C 1.548 0.866 0 C-N-CA 124.922 1.289 . . . . 0.0 112.22 177.988 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' B' B ' 30' ' ' THR . . . . . . . . . . . . . 24.2 m . . . . . 0 C--O 1.251 1.172 0 C-N-CA 125.894 1.677 . . . . 0.0 111.474 168.602 . . . . . . . . 0 0 . 1 . 027 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.482 1.725 0 N-CA-C 112.501 -0.24 . . . . 0.0 112.501 . . . . . . . . . 0 0 . 1 . 027 nuclear nobuild full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 7.1 tp -57.97 -34.39 48.64 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.294 0 C-N-CA 125.502 1.521 . . . . 0.0 113.967 -172.371 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 88.3 t -62.46 -35.41 69.72 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.994 0 C-N-CA 123.793 0.837 . . . . 0.0 111.214 176.531 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 41.3 mt-10 -78.41 -8.34 58.37 Favored 'General case' 0 CA--C 1.544 0.743 0 C-N-CA 124.297 1.039 . . . . 0.0 112.521 177.092 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 10.4 tp60 -97.34 -43.11 7.45 Favored 'General case' 0 CA--C 1.538 0.504 0 C-N-CA 124.4 1.08 . . . . 0.0 111.505 173.203 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 97.5 m -112.58 -24.64 9.56 Favored 'General case' 0 N--CA 1.475 0.813 0 N-CA-C 116.462 2.023 . . . . 0.0 116.462 -168.736 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 42.2 t -86.48 -36.32 19.11 Favored 'General case' 0 N--CA 1.48 1.044 0 CA-C-N 119.989 1.268 . . . . 0.0 113.588 -179.836 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 5.3 t -75.15 -27.33 59.68 Favored 'General case' 0 N--CA 1.478 0.961 0 C-N-CA 124.564 1.146 . . . . 0.0 113.336 179.765 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 98.6 p -166.58 168.69 14.37 Favored 'General case' 0 N--CA 1.468 0.429 0 C-N-CA 126.784 2.033 . . . . 0.0 110.638 -174.137 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 14.2 mt -73.79 126.04 33.88 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.513 0 O-C-N 121.44 -0.787 . . . . 0.0 111.391 -172.45 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 29.2 p -104.65 154.03 20.47 Favored 'General case' 0 CA--C 1.535 0.375 0 C-N-CA 124.825 1.25 . . . . 0.0 112.05 172.78 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 70.4 m -93.06 153.46 18.68 Favored 'General case' 0 N--CA 1.469 0.521 0 C-N-CA 123.567 0.747 . . . . 0.0 111.913 171.769 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . 0.611 ' H ' HD23 ' A' ' 13' ' ' LEU . 1.4 pt? -57.95 -42.81 85.73 Favored 'General case' 0 N--CA 1.463 0.224 0 C-N-CA 123.864 0.866 . . . . 0.0 112.106 -176.28 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 21.4 p90 -68.31 -15.32 63.52 Favored 'General case' 0 CA--C 1.536 0.441 0 C-N-CA 124.735 1.214 . . . . 0.0 114.204 -172.962 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 3.9 pt20 -109.72 -24.48 10.88 Favored 'General case' 0 N--CA 1.464 0.255 0 C-N-CA 124.051 0.94 . . . . 0.0 110.716 -179.613 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -76.44 -31.06 57.63 Favored 'General case' 0 CA--C 1.548 0.887 0 CA-C-N 118.992 0.815 . . . . 0.0 111.531 174.197 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 31.8 mt-10 -51.35 -37.58 48.65 Favored 'General case' 0 N--CA 1.481 1.124 0 C-N-CA 124.642 1.177 . . . . 0.0 111.833 171.429 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 6.6 m-80 -63.85 -15.24 58.43 Favored 'General case' 0 CA--C 1.547 0.861 0 C-N-CA 124.246 1.018 . . . . 0.0 113.582 -175.395 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 81.7 m-85 -88.53 -8.89 54.05 Favored 'General case' 0 CA--C 1.542 0.653 0 C-N-CA 125.037 1.335 . . . . 0.0 113.46 175.697 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 10.7 t -75.67 -25.41 56.75 Favored 'General case' 0 CA--C 1.545 0.779 0 C-N-CA 123.871 0.869 . . . . 0.0 112.856 174.758 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 35.5 m120 . . . . . 0 C--O 1.254 1.309 0 C-N-CA 125.817 1.647 . . . . 0.0 113.016 178.81 . . . . . . . . 0 0 . 1 . 027 nuclear nobuild full ' B' B ' 1' ' ' PHE . . . . . . . . . . . . . 50.1 t80 . . . . . 0 N--CA 1.487 1.408 0 CA-C-O 119.619 -0.229 . . . . 0.0 110.699 . . . . . . . . . 0 0 . 1 . 027 nuclear nobuild full ' B' B ' 2' ' ' VAL . . . . . . . . . . . . . 92.1 t -128.8 118.97 48.53 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.991 0 C-N-CA 124.892 1.277 . . . . 0.0 108.911 173.422 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' B' B ' 3' ' ' ASN . . . . . . . . . . . . . 68.5 m-20 -68.52 121.14 15.74 Favored 'General case' 0 CA--C 1.537 0.449 0 CA-C-O 121.213 0.53 . . . . 0.0 110.373 164.614 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' B' B ' 4' ' ' GLN . . . . . . . . . . . . . 10.3 pt20 -161.33 -175.85 5.06 Favored 'General case' 0 C--N 1.329 -0.287 0 C-N-CA 125.805 1.642 . . . . 0.0 109.793 -178.815 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' B' B ' 5' ' ' HIS . . . . . . . . . . . . . 79.7 m-70 -77.49 133.03 38.67 Favored 'General case' 0 CA--C 1.541 0.612 0 C-N-CA 123.689 0.795 . . . . 0.0 109.661 169.154 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 93.2 mt -137.8 120.63 16.42 Favored 'General case' 0 N--CA 1.466 0.34 0 C-N-CA 124.871 1.268 . . . . 0.0 110.29 -173.836 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' B' B ' 7' ' ' CYS . . . . . . . . . . . . . 57.8 m -136.24 140.98 43.89 Favored 'General case' 0 CA--C 1.537 0.473 0 C-N-CA 124.937 1.295 . . . . 0.0 110.109 -177.811 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' B' B ' 8' ' ' GLY . . . . . . . . . . . . . . . 57.4 -122.55 29.58 Favored Glycine 0 N--CA 1.472 1.064 0 C-N-CA 123.852 0.739 . . . . 0.0 113.137 172.972 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' B' B ' 9' ' ' SER . . . . . . . . . . . . . 8.8 t -55.81 -39.4 71.29 Favored 'General case' 0 CA--C 1.542 0.65 0 C-N-CA 123.906 0.882 . . . . 0.0 112.485 179.166 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' B' B ' 10' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -63.15 -37.26 86.51 Favored 'General case' 0 N--CA 1.473 0.688 0 O-C-N 120.778 -1.201 . . . . 0.0 112.326 176.214 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 19.7 tp -72.3 -42.53 65.39 Favored 'General case' 0 CA--C 1.536 0.42 0 C-N-CA 124.403 1.081 . . . . 0.0 111.144 178.153 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 69.2 t -59.78 -43.39 91.62 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.961 0 C-N-CA 124.016 0.926 . . . . 0.0 111.142 171.827 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 21.3 mt-10 -58.75 -45.23 90.2 Favored 'General case' 0 N--CA 1.467 0.402 0 C-N-CA 123.75 0.82 . . . . 0.0 112.343 173.534 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -61.02 -49.41 77.53 Favored 'General case' 0 N--CA 1.453 -0.295 0 CA-C-N 119.242 0.928 . . . . 0.0 111.492 176.588 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 3.9 mm? -55.13 -38.22 67.91 Favored 'General case' 0 N--CA 1.47 0.575 0 CA-C-N 119.009 0.822 . . . . 0.0 112.235 176.999 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' B' B ' 16' ' ' TYR . . . . . . . . . . . . . 52.5 t80 -61.72 -42.3 98.77 Favored 'General case' 0 CA--C 1.537 0.469 0 CA-C-N 119.208 0.913 . . . . 0.0 112.462 172.542 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 95.3 mt -70.33 -47.99 58.53 Favored 'General case' 0 CA--C 1.537 0.449 0 O-C-N 121.742 -0.599 . . . . 0.0 112.229 179.428 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' B' B ' 18' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -78.43 -38.07 22.27 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.221 0 CA-C-N 118.867 0.758 . . . . 0.0 112.587 -175.725 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' B' B ' 19' ' ' CYS . . . . . . . . . . . . . 25.9 t -106.18 -46.68 4.01 Favored 'General case' 0 CA--C 1.536 0.431 0 N-CA-C 112.532 0.568 . . . . 0.0 112.532 -174.465 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . -67.56 -52.53 29.73 Favored Glycine 0 N--CA 1.47 0.923 0 C-N-CA 123.874 0.749 . . . . 0.0 112.549 -171.802 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 35.3 tt0 -62.69 -38.57 90.91 Favored 'General case' 0 CA--C 1.541 0.597 0 C-N-CA 124.031 0.933 . . . . 0.0 112.156 179.959 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' B' B ' 22' ' ' ARG . . . . . . . . . . . . . 61.8 mtp180 -65.01 -32.0 73.52 Favored 'General case' 0 N--CA 1.474 0.733 0 O-C-N 121.683 -0.635 . . . . 0.0 112.272 174.088 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . -72.23 -35.47 60.47 Favored Glycine 0 CA--C 1.53 1.013 0 C-N-CA 124.924 1.25 . . . . 0.0 112.924 174.415 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' B' B ' 24' ' ' HIS . . . . . . . . . . . . . 29.6 m170 -68.13 -53.25 26.61 Favored 'General case' 0 CA--C 1.546 0.818 0 C-N-CA 124.038 0.935 . . . . 0.0 111.926 174.007 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' B' B ' 25' ' ' PHE . . . . . . . . . . . . . 70.2 t80 -174.01 109.11 0.14 Allowed 'General case' 0 CA--C 1.541 0.611 0 C-N-CA 126.834 2.054 . . . . 0.0 110.609 175.734 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' B' B ' 26' ' ' TYR . . . . . . . . . . . . . 37.6 t80 -84.23 147.82 27.05 Favored 'General case' 0 CA--C 1.543 0.709 0 C-N-CA 123.788 0.835 . . . . 0.0 112.584 171.079 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' B' B ' 27' ' ' THR . . . . . . . . . . . . . 18.8 p -113.55 99.29 49.31 Favored Pre-proline 0 N--CA 1.474 0.73 0 C-N-CA 126.283 1.833 . . . . 0.0 109.698 175.692 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' B' B ' 28' ' ' PRO . . . . . . . . . . . . . 98.4 Cg_endo -74.51 158.9 43.66 Favored 'Trans proline' 0 C--N 1.351 0.675 0 C-N-CA 123.196 2.597 . . . . 0.0 111.679 179.55 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 22.8 ptmt -159.75 164.37 33.89 Favored 'General case' 0 CA--C 1.546 0.803 0 C-N-CA 125.481 1.513 . . . . 0.0 113.031 -175.249 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' B' B ' 30' ' ' THR . . . . . . . . . . . . . 21.9 m . . . . . 0 C--O 1.252 1.234 0 C-N-CA 126.002 1.721 . . . . 0.0 112.243 178.138 . . . . . . . . 0 0 . 1 . 028 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.664 0 N-CA-C 112.38 -0.288 . . . . 0.0 112.38 . . . . . . . . . 0 0 . 1 . 028 nuclear nobuild full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 8.6 tp -56.77 -42.82 78.35 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.123 0 C-N-CA 125.729 1.612 . . . . 0.0 113.143 -173.45 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 98.3 t -64.44 -34.95 72.83 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.906 0 C-N-CA 124.002 0.921 . . . . 0.0 110.9 179.288 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 38.2 mt-10 -77.41 -5.26 49.11 Favored 'General case' 0 CA--C 1.542 0.665 0 C-N-CA 124.1 0.96 . . . . 0.0 112.808 178.631 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 9.7 mt-30 -102.1 -53.29 2.96 Favored 'General case' 0 CA--C 1.536 0.41 0 CA-C-N 118.932 0.787 . . . . 0.0 111.215 166.641 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 92.3 m -87.5 -33.68 18.9 Favored 'General case' 0 N--CA 1.469 0.51 0 N-CA-C 115.468 1.655 . . . . 0.0 115.468 -168.367 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 14.1 t -78.4 -25.82 46.26 Favored 'General case' 0 N--CA 1.477 0.896 0 O-C-N 121.241 -0.912 . . . . 0.0 113.322 -179.865 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 5.4 t -89.58 -28.52 19.51 Favored 'General case' 0 N--CA 1.474 0.751 0 C-N-CA 125.024 1.33 . . . . 0.0 113.411 -179.192 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 16.9 m -158.01 174.47 15.18 Favored 'General case' 0 N--CA 1.474 0.774 0 C-N-CA 125.163 1.385 . . . . 0.0 112.535 -169.642 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 24.7 mm -59.55 124.97 14.85 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.864 0 O-C-N 121.158 -0.964 . . . . 0.0 109.094 168.533 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 21.8 p -114.08 147.57 38.53 Favored 'General case' 0 N--CA 1.47 0.56 0 C-N-CA 123.338 0.655 . . . . 0.0 111.946 170.276 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 38.0 m -97.69 152.09 19.46 Favored 'General case' 0 N--CA 1.471 0.586 0 C-N-CA 124.05 0.94 . . . . 0.0 112.556 -178.656 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . 0.589 ' H ' HD23 ' A' ' 13' ' ' LEU . 1.4 pt? -56.31 -43.83 79.34 Favored 'General case' 0 N--CA 1.464 0.26 0 C-N-CA 123.758 0.823 . . . . 0.0 111.817 -175.075 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 21.7 p90 -65.44 -16.66 63.86 Favored 'General case' 0 CA--C 1.538 0.509 0 N-CA-C 114.611 1.337 . . . . 0.0 114.611 -175.013 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 3.9 pt20 -111.42 -29.78 7.65 Favored 'General case' 0 N--CA 1.467 0.413 0 C-N-CA 123.99 0.916 . . . . 0.0 110.41 -177.747 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . 0.489 HD11 HG21 ' B' ' 18' ' ' VAL . 0.1 OUTLIER -69.86 -37.11 76.0 Favored 'General case' 0 CA--C 1.55 0.977 0 C-N-CA 124.001 0.92 . . . . 0.0 110.795 171.765 . . . . . . . . 3 3 . 1 . 028 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 13.2 mt-10 -50.79 -37.89 45.06 Favored 'General case' 0 N--CA 1.479 1.002 0 C-N-CA 126.861 2.065 . . . . 0.0 112.353 173.859 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 3.9 m-80 -62.35 -19.7 63.63 Favored 'General case' 0 CA--C 1.544 0.733 0 C-N-CA 123.88 0.872 . . . . 0.0 112.968 -175.41 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 95.9 m-85 -89.31 -3.16 58.6 Favored 'General case' 0 CA--C 1.542 0.648 0 C-N-CA 125.039 1.336 . . . . 0.0 113.974 177.94 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 28.9 t -69.23 -27.07 65.14 Favored 'General case' 0 CA--C 1.546 0.793 0 O-C-N 121.471 -0.768 . . . . 0.0 112.781 171.067 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 C--O 1.254 1.31 0 C-N-CA 126.025 1.73 . . . . 0.0 112.045 177.016 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' B' B ' 1' ' ' PHE . . . . . . . . . . . . . 69.0 t80 . . . . . 0 N--CA 1.487 1.389 0 CA-C-O 119.644 -0.217 . . . . 0.0 110.8 . . . . . . . . . 0 0 . 1 . 028 nuclear nobuild full ' B' B ' 2' ' ' VAL . . . . . . . . . . . . . 91.6 t -130.44 119.59 46.47 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.02 0 C-N-CA 125.062 1.345 . . . . 0.0 108.838 173.617 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' B' B ' 3' ' ' ASN . . . . . . . . . . . . . 69.5 m-20 -60.65 122.06 13.77 Favored 'General case' 0 CA--C 1.535 0.367 0 C-N-CA 123.228 0.611 . . . . 0.0 110.18 170.079 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' B' B ' 4' ' ' GLN . . . . . . . . . . . . . 9.8 pt20 -159.38 179.04 9.3 Favored 'General case' 0 CA--C 1.534 0.348 0 C-N-CA 123.356 0.662 . . . . 0.0 111.296 -171.853 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' B' B ' 5' ' ' HIS . . . . . . . . . . . . . 77.0 m-70 -81.22 128.28 33.61 Favored 'General case' 0 CA--C 1.544 0.725 0 C-N-CA 124.157 0.983 . . . . 0.0 110.105 170.162 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' B' B ' 6' ' ' LEU . . . . . 0.432 HD13 ' CB ' ' B' ' 14' ' ' ALA . 58.7 mt -139.73 134.64 32.17 Favored 'General case' 0 N--CA 1.471 0.625 0 C-N-CA 124.718 1.207 . . . . 0.0 110.78 -172.902 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' B' B ' 7' ' ' CYS . . . . . . . . . . . . . 1.8 t -157.73 145.68 18.82 Favored 'General case' 0 N--CA 1.469 0.479 0 C-N-CA 123.529 0.732 . . . . 0.0 111.59 -179.521 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' B' B ' 8' ' ' GLY . . . . . . . . . . . . . . . 60.07 -126.47 41.67 Favored Glycine 0 CA--C 1.53 1.009 0 C-N-CA 123.987 0.803 . . . . 0.0 112.327 -179.06 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' B' B ' 9' ' ' SER . . . . . . . . . . . . . 17.5 m -54.05 -39.55 66.32 Favored 'General case' 0 N--CA 1.471 0.591 0 C-N-CA 124.472 1.109 . . . . 0.0 112.652 177.984 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' B' B ' 10' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -63.12 -34.42 77.57 Favored 'General case' 0 N--CA 1.471 0.617 0 O-C-N 121.205 -0.934 . . . . 0.0 112.589 176.927 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 14.5 tp -74.18 -41.82 60.86 Favored 'General case' 0 CA--C 1.538 0.497 0 C-N-CA 124.272 1.029 . . . . 0.0 111.074 178.234 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 91.3 t -60.66 -41.63 88.87 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.139 0 C-N-CA 124.363 1.065 . . . . 0.0 111.375 171.18 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 25.4 mt-10 -59.33 -50.94 72.05 Favored 'General case' 0 CA--C 1.53 0.21 0 C-N-CA 123.507 0.723 . . . . 0.0 111.354 171.145 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' B' B ' 14' ' ' ALA . . . . . 0.537 ' O ' HG22 ' B' ' 18' ' ' VAL . . . -58.75 -46.14 88.11 Favored 'General case' 0 CA--C 1.532 0.287 0 CA-C-N 120.004 1.274 . . . . 0.0 112.691 179.713 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 3.8 mm? -56.55 -34.23 66.89 Favored 'General case' 0 N--CA 1.473 0.681 0 CA-C-N 118.919 0.781 . . . . 0.0 112.009 176.235 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' B' B ' 16' ' ' TYR . . . . . . . . . . . . . 87.8 t80 -66.24 -45.49 80.47 Favored 'General case' 0 CA--C 1.536 0.442 0 O-C-N 121.541 -0.724 . . . . 0.0 112.226 169.292 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 84.2 mt -63.48 -45.88 88.73 Favored 'General case' 0 N--CA 1.469 0.477 0 CA-C-N 119.122 0.874 . . . . 0.0 112.657 -179.143 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' B' B ' 18' ' ' VAL . . . . . 0.537 HG22 ' O ' ' B' ' 14' ' ' ALA . 0.0 OUTLIER -71.39 -46.02 66.44 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.019 0 CA-C-O 119.004 -0.522 . . . . 0.0 112.189 177.535 . . . . . . . . 3 3 . 1 . 028 nuclear nobuild full ' B' B ' 19' ' ' CYS . . . . . . . . . . . . . 9.2 t -123.33 -30.89 3.62 Favored 'General case' 0 N--CA 1.474 0.733 0 N-CA-C 115.824 1.787 . . . . 0.0 115.824 -164.729 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . -80.9 -40.97 11.05 Favored Glycine 0 N--CA 1.475 1.281 0 CA-C-N 119.162 0.892 . . . . 0.0 113.601 -173.205 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 36.0 tt0 -66.01 -33.72 76.46 Favored 'General case' 0 CA--C 1.541 0.615 0 C-N-CA 124.941 1.296 . . . . 0.0 112.254 -178.787 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' B' B ' 22' ' ' ARG . . . . . . . . . . . . . 27.8 ptt180 -80.82 -4.45 54.71 Favored 'General case' 0 CA--C 1.545 0.753 0 N-CA-C 114.226 1.195 . . . . 0.0 114.226 176.425 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . -76.04 167.58 54.67 Favored Glycine 0 CA--C 1.531 1.046 0 C-N-CA 124.866 1.222 . . . . 0.0 113.316 -179.283 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' B' B ' 24' ' ' HIS . . . . . . . . . . . . . 31.9 p80 -70.65 -15.46 62.73 Favored 'General case' 0 CA--C 1.551 1.006 0 N-CA-C 114.583 1.327 . . . . 0.0 114.583 -179.797 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' B' B ' 25' ' ' PHE . . . . . . . . . . . . . 74.3 t80 -157.34 154.8 29.55 Favored 'General case' 0 CA--C 1.542 0.657 0 C-N-CA 126.219 1.807 . . . . 0.0 110.976 -176.715 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' B' B ' 26' ' ' TYR . . . . . . . . . . . . . 58.8 t80 -63.44 151.31 41.46 Favored 'General case' 0 CA--C 1.544 0.732 0 C-N-CA 124.684 1.193 . . . . 0.0 113.618 -179.884 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' B' B ' 27' ' ' THR . . . . . . . . . . . . . 34.5 p -127.36 119.47 21.88 Favored Pre-proline 0 N--CA 1.474 0.76 0 C-N-CA 125.23 1.412 . . . . 0.0 109.22 173.634 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' B' B ' 28' ' ' PRO . . . . . . . . . . . . . 87.5 Cg_endo -77.26 157.18 33.43 Favored 'Trans proline' 0 C--N 1.349 0.576 0 C-N-CA 123.264 2.643 . . . . 0.0 112.071 -173.794 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 18.6 mmtp -97.02 139.65 32.72 Favored 'General case' 0 CA--C 1.545 0.763 0 C-N-CA 124.591 1.156 . . . . 0.0 111.385 -173.338 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' B' B ' 30' ' ' THR . . . . . . . . . . . . . 12.5 t . . . . . 0 C--O 1.252 1.23 0 C-N-CA 126.075 1.75 . . . . 0.0 111.994 -176.345 . . . . . . . . 0 0 . 1 . 029 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.698 0 N-CA-C 111.554 -0.619 . . . . 0.0 111.554 . . . . . . . . . 0 0 . 1 . 029 nuclear nobuild full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 9.0 tp -66.72 -43.21 90.22 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.993 0 N-CA-C 113.589 0.959 . . . . 0.0 113.589 -172.472 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 93.7 t -72.06 -41.45 67.82 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.056 0 C-N-CA 123.628 0.771 . . . . 0.0 109.977 -177.951 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 1.1 pm0 -78.2 12.3 1.94 Allowed 'General case' 0 CA--C 1.547 0.861 0 C-N-CA 125.05 1.34 . . . . 0.0 113.557 173.755 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 20.9 mm-40 -109.62 -61.42 1.64 Allowed 'General case' 0 CA--C 1.537 0.47 0 O-C-N 120.646 -1.284 . . . . 0.0 110.94 152.313 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 98.5 m -75.92 -36.73 59.3 Favored 'General case' 0 CA--C 1.537 0.449 0 N-CA-C 115.469 1.655 . . . . 0.0 115.469 -167.951 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 14.1 t -77.25 -29.4 53.97 Favored 'General case' 0 N--CA 1.474 0.767 0 O-C-N 121.088 -1.008 . . . . 0.0 113.025 -179.715 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 12.5 t -88.12 -32.77 18.51 Favored 'General case' 0 N--CA 1.474 0.735 0 C-N-CA 124.845 1.258 . . . . 0.0 112.932 179.958 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . 0.431 ' HA ' ' CE1' ' B' ' 5' ' ' HIS . 3.5 t -149.91 -175.64 5.12 Favored 'General case' 0 CA--C 1.542 0.638 0 N-CA-C 113.512 0.93 . . . . 0.0 113.512 -177.083 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 36.4 mm -60.52 129.79 23.55 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.417 0 C-N-CA 123.833 0.853 . . . . 0.0 109.662 169.867 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 17.6 p -124.49 148.86 47.43 Favored 'General case' 0 CA--C 1.537 0.452 0 CA-C-O 121.643 0.735 . . . . 0.0 112.137 167.626 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 50.9 m -108.05 157.12 18.53 Favored 'General case' 0 N--CA 1.469 0.502 0 C-N-CA 124.821 1.248 . . . . 0.0 112.542 -179.89 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . 0.588 ' H ' HD23 ' A' ' 13' ' ' LEU . 1.3 pt? -54.58 -44.85 73.35 Favored 'General case' 0 N--CA 1.463 0.215 0 C-N-CA 124.437 1.095 . . . . 0.0 111.863 -174.986 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 27.3 p90 -64.8 -16.93 63.73 Favored 'General case' 0 CA--C 1.538 0.499 0 N-CA-C 114.48 1.289 . . . . 0.0 114.48 -173.135 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 3.5 pt20 -115.28 -26.53 7.58 Favored 'General case' 0 CA--C 1.533 0.3 0 C-N-CA 124.352 1.061 . . . . 0.0 110.803 -176.291 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . 0.512 HD11 HG21 ' B' ' 18' ' ' VAL . 0.2 OUTLIER -72.92 -36.48 67.26 Favored 'General case' 0 CA--C 1.552 1.02 0 C-N-CA 124.167 0.987 . . . . 0.0 110.895 171.429 . . . . . . . . 3 3 . 1 . 029 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 13.3 mt-10 -50.71 -38.48 47.38 Favored 'General case' 0 N--CA 1.481 1.121 0 C-N-CA 126.949 2.099 . . . . 0.0 112.035 174.735 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 3.2 m-80 -60.22 -21.03 61.29 Favored 'General case' 0 CA--C 1.543 0.676 0 C-N-CA 124.643 1.177 . . . . 0.0 113.152 -176.093 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 96.4 m-85 -90.99 -5.62 55.13 Favored 'General case' 0 CA--C 1.54 0.589 0 C-N-CA 125.092 1.357 . . . . 0.0 114.268 179.995 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 17.1 t -71.65 -26.01 62.37 Favored 'General case' 0 CA--C 1.546 0.813 0 O-C-N 121.478 -0.763 . . . . 0.0 112.779 172.071 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 C--O 1.253 1.278 0 C-N-CA 126.203 1.801 . . . . 0.0 112.083 177.311 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' B' B ' 1' ' ' PHE . . . . . . . . . . . . . 39.6 t80 . . . . . 0 N--CA 1.487 1.393 0 CA-C-O 119.445 -0.312 . . . . 0.0 110.573 . . . . . . . . . 0 0 . 1 . 029 nuclear nobuild full ' B' B ' 2' ' ' VAL . . . . . . . . . . . . . 59.8 t -120.93 126.07 74.78 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.09 0 C-N-CA 124.97 1.308 . . . . 0.0 108.928 176.09 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' B' B ' 3' ' ' ASN . . . . . . . . . . . . . 71.4 m-20 -80.79 114.08 19.43 Favored 'General case' 0 CA--C 1.538 0.486 0 N-CA-C 109.351 -0.611 . . . . 0.0 109.351 172.897 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' B' B ' 4' ' ' GLN . . . . . . . . . . . . . 7.8 pt20 -157.78 -179.45 8.16 Favored 'General case' 0 CA--C 1.537 0.446 0 C-N-CA 123.915 0.886 . . . . 0.0 111.327 -171.129 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' B' B ' 5' ' ' HIS . . . . . 0.431 ' CE1' ' HA ' ' A' ' 9' ' ' SER . 67.2 m-70 -76.41 137.1 39.54 Favored 'General case' 0 CA--C 1.544 0.733 0 C-N-CA 124.434 1.094 . . . . 0.0 110.124 166.208 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 72.3 mt -146.13 132.72 19.83 Favored 'General case' 0 N--CA 1.473 0.677 0 C-N-CA 125.586 1.554 . . . . 0.0 110.246 -175.837 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' B' B ' 7' ' ' CYS . . . . . . . . . . . . . 3.3 t -156.08 146.14 21.39 Favored 'General case' 0 N--CA 1.469 0.509 0 C-N-CA 123.402 0.681 . . . . 0.0 111.74 -178.385 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' B' B ' 8' ' ' GLY . . . . . . . . . . . . . . . 60.66 -126.36 40.82 Favored Glycine 0 CA--C 1.529 0.953 0 C-N-CA 123.874 0.749 . . . . 0.0 112.485 179.77 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' B' B ' 9' ' ' SER . . . . . . . . . . . . . 8.8 t -56.01 -38.68 70.82 Favored 'General case' 0 N--CA 1.473 0.683 0 C-N-CA 123.67 0.788 . . . . 0.0 112.421 178.105 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' B' B ' 10' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -62.78 -34.86 78.13 Favored 'General case' 0 N--CA 1.474 0.758 0 O-C-N 120.842 -1.162 . . . . 0.0 112.776 175.329 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 15.0 tp -73.23 -42.93 62.02 Favored 'General case' 0 CA--C 1.536 0.43 0 C-N-CA 124.096 0.958 . . . . 0.0 111.083 177.405 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 92.9 t -60.03 -42.38 89.51 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.053 0 C-N-CA 124.18 0.992 . . . . 0.0 111.117 172.185 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 21.3 mt-10 -58.5 -48.74 79.81 Favored 'General case' 0 CA--C 1.531 0.221 0 C-N-CA 123.479 0.711 . . . . 0.0 111.694 171.918 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' B' B ' 14' ' ' ALA . . . . . 0.555 ' O ' HG22 ' B' ' 18' ' ' VAL . . . -59.1 -47.01 86.82 Favored 'General case' 0 CA--C 1.532 0.275 0 CA-C-N 119.881 1.219 . . . . 0.0 112.616 178.114 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 3.9 mm? -56.73 -35.73 68.9 Favored 'General case' 0 N--CA 1.472 0.658 0 CA-C-N 118.87 0.759 . . . . 0.0 112.105 176.15 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' B' B ' 16' ' ' TYR . . . . . . . . . . . . . 84.3 t80 -63.06 -45.74 90.79 Favored 'General case' 0 CA--C 1.535 0.396 0 CA-C-N 118.842 0.747 . . . . 0.0 112.028 169.975 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 86.7 mt -62.71 -52.66 62.39 Favored 'General case' 0 CA--C 1.537 0.472 0 CA-C-N 119.244 0.929 . . . . 0.0 111.882 179.436 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' B' B ' 18' ' ' VAL . . . . . 0.555 HG22 ' O ' ' B' ' 14' ' ' ALA . 0.1 OUTLIER -69.44 -43.85 80.48 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.968 0 N-CA-C 112.657 0.614 . . . . 0.0 112.657 -177.178 . . . . . . . . 3 3 . 1 . 029 nuclear nobuild full ' B' B ' 19' ' ' CYS . . . . . . . . . . . . . 7.9 t -115.35 -20.08 10.45 Favored 'General case' 0 N--CA 1.474 0.726 0 N-CA-C 115.209 1.559 . . . . 0.0 115.209 -165.688 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . -95.12 -52.9 1.68 Allowed Glycine 0 N--CA 1.475 1.272 0 C-N-CA 124.485 1.04 . . . . 0.0 113.133 179.109 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 12.4 tm-20 -85.81 -41.19 15.25 Favored 'General case' 0 CA--C 1.541 0.632 0 C-N-CA 126.083 1.753 . . . . 0.0 111.654 -178.236 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' B' B ' 22' ' ' ARG . . . . . . . . . . . . . 57.6 mtp85 63.46 8.57 3.62 Favored 'General case' 0 CA--C 1.547 0.83 0 C-N-CA 128.32 2.648 . . . . 0.0 115.678 164.959 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . -79.48 -16.75 77.33 Favored Glycine 0 N--CA 1.472 1.069 0 C-N-CA 125.028 1.299 . . . . 0.0 115.236 -172.705 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' B' B ' 24' ' ' HIS . . . . . . . . . . . . . 11.8 p80 -145.27 141.79 28.91 Favored 'General case' 0 CA--C 1.553 1.063 0 C-N-CA 125.437 1.495 . . . . 0.0 113.094 -178.496 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' B' B ' 25' ' ' PHE . . . . . . . . . . . . . 86.3 t80 -69.16 145.64 53.11 Favored 'General case' 0 CA--C 1.541 0.609 0 C-N-CA 127.045 2.138 . . . . 0.0 111.631 -10.471 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' B' B ' 26' ' ' TYR . . . . . . . . . . . . . 65.8 t80 -136.01 149.9 49.0 Favored 'General case' 0 CA--C 1.539 0.519 0 C-N-CA 125.01 1.324 . . . . 0.0 111.553 170.788 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' B' B ' 27' ' ' THR . . . . . . . . . . . . . 5.9 t -138.55 129.13 15.18 Favored Pre-proline 0 N--CA 1.469 0.521 0 C-N-CA 125.895 1.678 . . . . 0.0 108.278 170.793 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' B' B ' 28' ' ' PRO . . . . . . . . . . . . . 63.1 Cg_endo -82.87 156.33 15.49 Favored 'Trans proline' 0 C--N 1.35 0.635 0 C-N-CA 122.727 2.285 . . . . 0.0 112.712 -164.376 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 14.9 ptmm? -151.36 19.48 0.74 Allowed 'General case' 0 CA--C 1.549 0.921 0 C-N-CA 125.055 1.342 . . . . 0.0 113.956 -174.06 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' B' B ' 30' ' ' THR . . . . . . . . . . . . . 19.7 p . . . . . 0 C--O 1.255 1.37 0 C-N-CA 126.409 1.884 . . . . 0.0 113.695 179.23 . . . . . . . . 0 0 . 1 . 030 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.626 0 CA-C-O 119.48 -0.622 . . . . 0.0 112.356 . . . . . . . . . 0 0 . 1 . 030 nuclear nobuild full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 4.9 tp 150.8 -41.71 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.486 1.331 1 C-N-CA 135.095 5.358 . . . . 0.0 111.035 173.176 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 96.4 t -64.14 -41.9 93.89 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.043 0 C-N-CA 124.836 1.254 . . . . 0.0 110.669 -177.462 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 1.3 pm0 -72.36 9.06 1.12 Allowed 'General case' 0 CA--C 1.545 0.76 0 C-N-CA 125.018 1.327 . . . . 0.0 113.557 175.813 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 24.6 mm-40 -121.86 -54.21 1.94 Allowed 'General case' 0 CA--C 1.537 0.455 0 C-N-CA 124.814 1.245 . . . . 0.0 110.709 169.25 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 2.2 t -90.58 -23.64 20.79 Favored 'General case' 0 N--CA 1.473 0.712 0 N-CA-C 115.255 1.576 . . . . 0.0 115.255 -172.267 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 13.6 t -75.05 -27.45 60.0 Favored 'General case' 0 N--CA 1.479 0.987 0 O-C-N 120.572 -1.33 . . . . 0.0 112.719 170.18 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 11.2 t -94.06 -32.26 13.87 Favored 'General case' 0 N--CA 1.475 0.814 0 C-N-CA 125.155 1.382 . . . . 0.0 112.995 179.84 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . 0.423 ' HA ' ' CE1' ' B' ' 5' ' ' HIS . 4.5 t -144.38 -173.4 4.02 Favored 'General case' 0 CA--C 1.543 0.694 0 C-N-CA 124.418 1.087 . . . . 0.0 113.15 -179.377 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 31.0 mm -66.65 136.12 27.28 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.542 0 O-C-N 120.736 -1.228 . . . . 0.0 110.578 174.791 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 16.2 p -123.56 159.1 29.91 Favored 'General case' 0 N--CA 1.471 0.598 0 CA-C-O 121.913 0.864 . . . . 0.0 112.399 157.181 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 32.3 m -130.29 150.82 51.36 Favored 'General case' 0 N--CA 1.466 0.333 0 C-N-CA 125.556 1.542 . . . . 0.0 110.214 -173.221 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . 0.505 ' H ' HD23 ' A' ' 13' ' ' LEU . 1.6 pt? -54.94 -40.03 69.52 Favored 'General case' 0 N--CA 1.463 0.191 0 C-N-CA 123.727 0.811 . . . . 0.0 112.287 -170.234 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 29.3 p90 -68.55 -13.78 62.56 Favored 'General case' 0 CA--C 1.534 0.332 0 C-N-CA 124.855 1.262 . . . . 0.0 114.262 -174.351 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 9.4 pt20 -122.04 -26.43 4.76 Favored 'General case' 0 C--O 1.222 -0.38 0 C-N-CA 123.887 0.875 . . . . 0.0 111.48 179.931 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . 0.481 HD11 HG21 ' B' ' 18' ' ' VAL . 0.3 OUTLIER -76.27 -27.54 56.71 Favored 'General case' 0 CA--C 1.545 0.764 0 CA-C-N 119.977 1.262 . . . . 0.0 112.003 179.033 . . . . . . . . 3 3 . 1 . 030 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 17.1 mt-10 -51.04 -33.78 26.81 Favored 'General case' 0 N--CA 1.48 1.046 0 C-N-CA 123.853 0.861 . . . . 0.0 111.881 169.627 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 50.8 m-20 -60.87 -24.34 65.85 Favored 'General case' 0 CA--C 1.543 0.71 0 C-N-CA 124.887 1.275 . . . . 0.0 112.882 -175.05 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 63.0 m-85 -87.92 -7.56 56.98 Favored 'General case' 0 CA--C 1.543 0.679 0 C-N-CA 126.213 1.805 . . . . 0.0 113.42 -177.418 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 35.7 t -68.42 -29.82 68.58 Favored 'General case' 0 CA--C 1.544 0.736 0 N-CA-C 113.34 0.867 . . . . 0.0 113.34 179.583 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 C--O 1.253 1.289 0 C-N-CA 125.949 1.7 . . . . 0.0 111.21 -177.493 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' B' B ' 1' ' ' PHE . . . . . . . . . . . . . 36.1 t80 . . . . . 0 N--CA 1.487 1.416 0 CA-C-O 119.606 -0.235 . . . . 0.0 110.669 . . . . . . . . . 0 0 . 1 . 030 nuclear nobuild full ' B' B ' 2' ' ' VAL . . . . . . . . . . . . . 65.5 t -126.99 127.96 70.22 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.046 0 C-N-CA 124.947 1.299 . . . . 0.0 108.946 175.469 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' B' B ' 3' ' ' ASN . . . . . . . . . . . . . 69.8 m-20 -81.37 115.98 20.98 Favored 'General case' 0 CA--C 1.539 0.547 0 N-CA-C 109.39 -0.596 . . . . 0.0 109.39 173.058 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' B' B ' 4' ' ' GLN . . . . . . . . . . . . . 8.5 pt20 -160.86 -178.87 7.12 Favored 'General case' 0 CA--C 1.537 0.463 0 C-N-CA 123.75 0.82 . . . . 0.0 111.442 -170.216 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' B' B ' 5' ' ' HIS . . . . . 0.423 ' CE1' ' HA ' ' A' ' 9' ' ' SER . 60.3 m-70 -77.44 138.08 39.05 Favored 'General case' 0 CA--C 1.545 0.788 0 C-N-CA 124.599 1.16 . . . . 0.0 109.761 165.929 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 79.9 mt -145.12 139.57 27.4 Favored 'General case' 0 N--CA 1.473 0.684 0 C-N-CA 125.304 1.442 . . . . 0.0 110.547 -176.883 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' B' B ' 7' ' ' CYS . . . . . . . . . . . . . 2.8 t -155.51 147.41 23.33 Favored 'General case' 0 N--CA 1.468 0.444 0 O-C-N 121.656 -0.653 . . . . 0.0 111.925 -179.01 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' B' B ' 8' ' ' GLY . . . . . . . . . . . . . . . 60.18 -129.13 47.3 Favored Glycine 0 N--CA 1.47 0.941 0 C-N-CA 123.956 0.789 . . . . 0.0 112.373 179.94 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' B' B ' 9' ' ' SER . . . . . . . . . . . . . 16.3 m -53.61 -39.71 65.13 Favored 'General case' 0 N--CA 1.469 0.514 0 C-N-CA 124.5 1.12 . . . . 0.0 112.66 178.33 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' B' B ' 10' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -62.68 -36.96 84.58 Favored 'General case' 0 CA--C 1.543 0.701 0 O-C-N 121.255 -0.903 . . . . 0.0 112.625 178.004 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 16.1 tp -73.49 -43.8 59.34 Favored 'General case' 0 CA--C 1.536 0.429 0 C-N-CA 124.644 1.178 . . . . 0.0 110.97 177.889 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 77.8 t -60.23 -43.1 92.59 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.015 0 C-N-CA 123.874 0.87 . . . . 0.0 111.134 173.594 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 22.5 mt-10 -59.19 -44.74 92.2 Favored 'General case' 0 N--CA 1.467 0.395 0 C-N-CA 124.43 1.092 . . . . 0.0 112.15 174.006 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -61.33 -51.06 70.43 Favored 'General case' 0 N--CA 1.453 -0.3 0 CA-C-O 118.384 -0.817 . . . . 0.0 111.243 176.479 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 4.0 mm? -54.26 -39.37 66.8 Favored 'General case' 0 N--CA 1.472 0.634 0 CA-C-N 119.18 0.9 . . . . 0.0 112.171 177.832 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' B' B ' 16' ' ' TYR . . . . . . . . . . . . . 63.5 t80 -60.45 -45.74 92.57 Favored 'General case' 0 N--CA 1.467 0.387 0 CA-C-N 118.816 0.735 . . . . 0.0 112.152 172.666 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 96.1 mt -65.66 -51.85 56.27 Favored 'General case' 0 CA--C 1.536 0.432 0 CA-C-N 118.675 0.67 . . . . 0.0 111.74 177.984 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' B' B ' 18' ' ' VAL . . . . . 0.481 HG21 HD11 ' A' ' 16' ' ' LEU . 0.0 OUTLIER -75.55 -30.27 21.78 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.162 0 CA-C-O 118.232 -0.89 . . . . 0.0 113.163 -172.254 . . . . . . . . 3 3 . 1 . 030 nuclear nobuild full ' B' B ' 19' ' ' CYS . . . . . . . . . . . . . 21.3 t -113.33 -36.31 5.04 Favored 'General case' 0 CA--C 1.538 0.499 0 N-CA-C 114.33 1.234 . . . . 0.0 114.33 -174.409 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . -85.26 -51.93 3.57 Favored Glycine 0 CA--C 1.53 0.981 0 C-N-CA 124.045 0.831 . . . . 0.0 112.896 -176.454 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 9.3 tp10 -78.37 -55.21 5.41 Favored 'General case' 0 CA--C 1.541 0.597 0 C-N-CA 125.137 1.375 . . . . 0.0 111.11 -178.373 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' B' B ' 22' ' ' ARG . . . . . . . . . . . . . 47.2 mtt180 56.7 1.46 0.08 Allowed 'General case' 0 N--CA 1.476 0.873 0 N-CA-C 117.373 2.36 . . . . 0.0 117.373 175.532 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . -66.53 -26.45 72.84 Favored Glycine 0 N--CA 1.477 1.38 0 C-N-CA 125.227 1.394 . . . . 0.0 114.824 -172.972 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' B' B ' 24' ' ' HIS . . . . . . . . . . . . . 24.1 p80 -61.91 -31.2 71.49 Favored 'General case' 0 CA--C 1.549 0.909 0 C-N-CA 125.222 1.409 . . . . 0.0 113.771 172.526 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' B' B ' 25' ' ' PHE . . . . . . . . . . . . . 48.9 t80 67.18 160.22 0.15 Allowed 'General case' 0 CA--C 1.546 0.803 0 C-N-CA 128.082 2.553 . . . . 0.0 113.93 175.165 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' B' B ' 26' ' ' TYR . . . . . . . . . . . . . 5.1 t80 -150.49 148.21 28.43 Favored 'General case' 0 CA--C 1.541 0.602 0 C-N-CA 125.716 1.606 . . . . 0.0 112.521 172.171 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' B' B ' 27' ' ' THR . . . . . 0.651 ' H ' ' HA ' ' B' ' 28' ' ' PRO . 6.0 t -155.4 -16.8 0.0 OUTLIER Pre-proline 0 CA--C 1.552 1.05 0 N-CA-C 118.047 2.61 . . . . 0.0 118.047 -179.392 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' B' B ' 28' ' ' PRO . . . . . 0.651 ' HA ' ' H ' ' B' ' 27' ' ' THR . 87.9 Cg_endo -77.24 159.6 95.08 Favored 'Cis proline' 0 C--N 1.362 1.27 0 CA-C-N 125.179 2.885 . . . . 0.0 113.235 -0.496 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 14.6 mmmm -63.95 141.05 58.91 Favored 'General case' 0 CA--C 1.545 0.786 0 C-N-CA 123.135 0.574 . . . . 0.0 112.013 172.694 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' B' B ' 30' ' ' THR . . . . . . . . . . . . . 12.6 t . . . . . 0 C--O 1.252 1.206 0 C-N-CA 126.954 2.102 . . . . 0.0 111.921 -175.575 . . . . . . . . 0 0 . 1 stop_ save_