data_2m2o_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 2m2o _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 . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.478 0.967 0 N-CA-C 113.6 0.963 . . . . 0.0 113.6 . . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 7.2 p -61.89 -41.79 92.13 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.751 0 C-N-CA 124.123 0.969 . . . . 0.0 112.635 178.479 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 41.2 mt-10 -68.83 -54.09 17.78 Favored 'General case' 0 C--N 1.331 -0.207 0 C-N-CA 123.938 0.895 . . . . 0.0 109.641 174.735 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 18.6 mm100 -54.36 -45.77 72.85 Favored 'General case' 0 CA--C 1.536 0.41 0 C-N-CA 124.384 1.074 . . . . 0.0 112.453 -175.874 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 75.1 m -87.51 -13.5 42.87 Favored 'General case' 0 CA--C 1.538 0.504 0 N-CA-C 114.944 1.461 . . . . 0.0 114.944 -177.516 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 8.3 t -98.37 -20.13 17.34 Favored 'General case' 0 CA--C 1.548 0.875 0 CA-C-N 119.585 1.084 . . . . 0.0 113.045 174.514 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 1.5 t -94.17 -26.95 16.47 Favored 'General case' 0 N--CA 1.478 0.973 0 C-N-CA 125.294 1.438 . . . . 0.0 113.347 174.186 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 67.8 m -135.83 162.55 32.48 Favored 'General case' 0 N--CA 1.473 0.699 0 C-N-CA 126.504 1.922 . . . . 0.0 110.956 176.238 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 53.4 mt -67.57 139.44 20.9 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.729 0 O-C-N 121.301 -0.875 . . . . 0.0 111.486 -179.279 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 57.6 m -125.46 111.51 15.18 Favored 'General case' 0 CA--C 1.535 0.393 0 C-N-CA 124.482 1.113 . . . . 0.0 110.918 168.084 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 3.7 t -72.88 169.99 15.68 Favored 'General case' 0 N--CA 1.468 0.431 0 C-N-CA 123.681 0.793 . . . . 0.0 111.305 167.0 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 2.3 pt? -57.67 -31.0 65.9 Favored 'General case' 0 CA--C 1.542 0.657 0 O-C-N 121.502 -0.749 . . . . 0.0 111.954 170.806 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 26.6 m-85 -68.47 -20.81 64.64 Favored 'General case' 0 N--CA 1.471 0.608 0 C-N-CA 124.28 1.032 . . . . 0.0 113.519 177.984 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 40.2 mt-30 -93.41 -48.32 6.46 Favored 'General case' 0 N--CA 1.468 0.443 0 C-N-CA 125.84 1.656 . . . . 0.0 111.093 174.724 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 95.7 mt -58.61 -35.26 72.18 Favored 'General case' 0 N--CA 1.47 0.552 0 C-N-CA 124.776 1.23 . . . . 0.0 113.6 -178.689 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -60.45 -33.1 72.06 Favored 'General case' 0 N--CA 1.471 0.608 0 N-CA-C 113.749 1.018 . . . . 0.0 113.749 -179.516 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 43.9 m-80 -61.71 -35.96 79.55 Favored 'General case' 0 N--CA 1.472 0.636 0 C-N-CA 123.346 0.658 . . . . 0.0 111.971 178.434 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 96.9 m-85 -75.05 -11.31 60.07 Favored 'General case' 0 CA--C 1.54 0.56 0 N-CA-C 114.581 1.326 . . . . 0.0 114.581 -176.994 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 10.1 t -73.8 -25.08 59.93 Favored 'General case' 0 CA--C 1.546 0.817 0 CA-C-N 118.763 0.71 . . . . 0.0 112.704 174.083 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 25.2 t-20 . . . . . 0 CA--C 1.543 0.691 0 C-N-CA 124.643 1.177 . . . . 0.0 112.264 179.69 . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' B' B ' 1' ' ' PHE . . . . . . . . . . . . . 6.5 t80 . . . . . 0 CA--C 1.542 0.652 0 CA-C-O 120.9 0.381 . . . . 0.0 111.902 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' B' B ' 2' ' ' VAL . . . . . . . . . . . . . 7.5 p -145.71 145.83 19.98 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.801 0 C-N-CA 124.821 1.248 . . . . 0.0 111.103 169.336 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 3' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -62.7 130.57 45.56 Favored 'General case' 0 N--CA 1.451 -0.42 0 N-CA-C 113.98 1.104 . . . . 0.0 113.98 -172.647 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 4' ' ' GLN . . . . . . . . . . . . . 7.3 pt20 -162.78 153.11 16.45 Favored 'General case' 0 CA--C 1.537 0.444 0 C-N-CA 125.022 1.329 . . . . 0.0 111.045 -179.539 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 5' ' ' HIS . . . . . . . . . . . . . 31.9 m-70 -71.57 145.03 49.32 Favored 'General case' 0 CA--C 1.541 0.606 0 C-N-CA 124.629 1.171 . . . . 0.0 109.992 161.413 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 70.4 mt -139.71 139.03 36.46 Favored 'General case' 0 N--CA 1.47 0.565 0 C-N-CA 125.656 1.582 . . . . 0.0 111.397 -172.741 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 7' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -136.2 154.17 51.02 Favored 'General case' 0 CA--C 1.542 0.668 0 C-N-CA 124.356 1.062 . . . . 0.0 111.469 -178.272 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 8' ' ' GLY . . . . . . . . . . . . . . . 49.37 -123.89 13.11 Favored Glycine 0 CA--C 1.537 1.457 0 C-N-CA 124.576 1.084 . . . . 0.0 115.37 168.251 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 9' ' ' SER . . . . . . . . . . . . . 35.2 p -62.8 -38.28 90.07 Favored 'General case' 0 N--CA 1.471 0.589 0 C-N-CA 124.866 1.266 . . . . 0.0 113.544 179.138 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 10' ' ' HIS . . . . . . . . . . . . . 32.1 m170 -61.6 -40.23 94.05 Favored 'General case' 0 N--CA 1.471 0.613 0 O-C-N 121.408 -0.807 . . . . 0.0 111.451 174.929 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 58.9 tp -70.45 -46.82 63.1 Favored 'General case' 0 CA--C 1.534 0.358 0 C-N-CA 124.367 1.067 . . . . 0.0 112.65 178.187 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 1.7 p -67.49 -36.51 76.58 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.719 0 CA-C-N 118.094 0.406 . . . . 0.0 111.996 -176.362 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 42.0 mt-10 -68.52 -41.18 80.31 Favored 'General case' 0 CA--C 1.536 0.438 0 O-C-N 121.691 -0.631 . . . . 0.0 112.127 172.471 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -63.19 -37.24 86.44 Favored 'General case' 0 CA--C 1.545 0.772 0 O-C-N 121.131 -0.981 . . . . 0.0 113.145 -179.291 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 4.2 pp -79.77 -28.64 40.33 Favored 'General case' 0 N--CA 1.472 0.667 0 O-C-N 121.608 -0.682 . . . . 0.0 112.671 176.914 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 16' ' ' TYR . . . . . . . . . . . . . 2.5 t80 -65.7 -38.4 89.14 Favored 'General case' 0 CA--C 1.541 0.604 0 C-N-CA 123.574 0.749 . . . . 0.0 111.636 169.259 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 26.6 mt -71.8 -41.28 68.47 Favored 'General case' 0 N--CA 1.467 0.406 0 C-N-CA 123.978 0.911 . . . . 0.0 112.291 -175.249 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 18' ' ' VAL . . . . . . . . . . . . . 10.8 p -71.54 -34.48 53.02 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.689 0 C-N-CA 122.904 0.481 . . . . 0.0 111.821 175.112 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 19' ' ' CYS . . . . . . . . . . . . . 16.3 t -77.26 -34.91 55.65 Favored 'General case' 0 CA--C 1.541 0.609 0 N-CA-C 113.404 0.89 . . . . 0.0 113.404 -179.607 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.538 1.492 0 C-N-CA 124.487 1.042 . . . . 0.0 114.184 -174.972 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 18.3 tt . . . . . 0 N--CA 1.475 0.806 0 N-CA-C 114.002 1.112 . . . . 0.0 114.002 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 7.5 p -58.52 -46.24 89.91 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.135 0 C-N-CA 124.351 1.06 . . . . 0.0 112.278 -179.825 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 24.4 pt-20 -76.03 6.42 5.28 Favored 'General case' 0 N--CA 1.475 0.807 0 C-N-CA 127.052 2.141 . . . . 0.0 114.666 179.257 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 29.0 mm-40 -122.49 -38.85 2.61 Favored 'General case' 0 N--CA 1.468 0.436 0 C-N-CA 124.983 1.313 . . . . 0.0 112.116 172.855 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 82.5 m -99.97 -36.26 9.44 Favored 'General case' 0 CA--C 1.535 0.397 0 C-N-CA 124.439 1.096 . . . . 0.0 113.095 -173.201 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 79.5 m -82.35 -19.05 40.03 Favored 'General case' 0 N--CA 1.476 0.84 0 CA-C-N 119.28 0.945 . . . . 0.0 112.18 177.168 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 39.3 p -93.47 -36.17 12.59 Favored 'General case' 0 N--CA 1.473 0.7 0 C-N-CA 126.452 1.901 . . . . 0.0 113.315 -177.36 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 74.5 m -150.24 -177.25 5.83 Favored 'General case' 0 N--CA 1.472 0.653 0 C-N-CA 127.03 2.132 . . . . 0.0 110.728 -171.21 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 17.7 mt -70.3 132.23 33.42 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.568 0 O-C-N 120.887 -1.133 . . . . 0.0 109.369 162.228 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 31.6 p -113.65 147.69 37.67 Favored 'General case' 0 CA--C 1.537 0.475 0 C-N-CA 124.913 1.285 . . . . 0.0 110.789 168.675 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 23.7 m -88.19 162.29 16.77 Favored 'General case' 0 N--CA 1.47 0.545 0 C-N-CA 123.457 0.703 . . . . 0.0 112.348 -170.943 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 7.6 mp -49.53 -48.21 48.39 Favored 'General case' 0 N--CA 1.47 0.553 0 C-N-CA 125.142 1.377 . . . . 0.0 111.551 175.795 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 33.9 m-85 -61.79 -38.64 88.86 Favored 'General case' 0 CA--C 1.536 0.427 0 C-N-CA 124.997 1.319 . . . . 0.0 112.282 -178.104 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 46.3 mt-30 -69.62 -47.17 64.36 Favored 'General case' 0 N--CA 1.467 0.409 0 O-C-N 121.641 -0.662 . . . . 0.0 110.484 176.706 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 63.5 mt -58.94 -38.52 79.19 Favored 'General case' 0 CA--C 1.544 0.718 0 C-N-CA 123.239 0.615 . . . . 0.0 112.55 176.347 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 37.3 mt-10 -66.06 -33.99 77.06 Favored 'General case' 0 CA--C 1.544 0.715 0 C-N-CA 123.597 0.759 . . . . 0.0 112.899 174.317 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 9.7 m-80 -62.31 -25.52 67.92 Favored 'General case' 0 N--CA 1.474 0.768 0 O-C-N 120.747 -1.22 . . . . 0.0 112.555 173.679 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 44.8 m-85 -84.16 -14.41 50.28 Favored 'General case' 0 CA--C 1.54 0.584 0 N-CA-C 113.808 1.04 . . . . 0.0 113.808 178.219 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 6.2 p -90.7 -36.26 14.44 Favored 'General case' 0 CA--C 1.543 0.687 0 CA-C-N 119.182 0.901 . . . . 0.0 112.431 165.984 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 49.7 t-20 . . . . . 0 CA--C 1.541 0.629 0 C-N-CA 125.413 1.485 . . . . 0.0 111.542 179.711 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' B' B ' 1' ' ' PHE . . . . . . . . . . . . . 53.7 t80 . . . . . 0 CA--C 1.542 0.658 0 N-CA-C 112.137 0.421 . . . . 0.0 112.137 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' B' B ' 2' ' ' VAL . . . . . . . . . . . . . 48.1 t -135.23 126.66 46.09 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.896 0 C-N-CA 125.301 1.441 . . . . 0.0 109.352 174.293 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 3' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -63.98 146.44 54.09 Favored 'General case' 0 N--CA 1.467 0.401 0 N-CA-C 113.898 1.073 . . . . 0.0 113.898 179.64 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 4' ' ' GLN . . . . . . . . . . . . . 6.1 pt20 -165.91 165.22 18.32 Favored 'General case' 0 CA--C 1.539 0.536 0 C-N-CA 128.468 2.707 . . . . 0.0 107.467 -177.254 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 5' ' ' HIS . . . . . 0.412 ' H ' ' CD2' ' B' ' 5' ' ' HIS . 2.8 m-70 -62.38 131.81 50.51 Favored 'General case' 0 N--CA 1.47 0.569 0 C-N-CA 124.848 1.259 . . . . 0.0 109.403 167.714 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 34.6 mt -144.65 132.26 21.03 Favored 'General case' 0 N--CA 1.469 0.522 0 C-N-CA 125.249 1.42 . . . . 0.0 110.681 -168.114 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 7' ' ' CYS . . . . . . . . . . . . . 1.5 t -148.18 163.67 36.27 Favored 'General case' 0 CA--C 1.539 0.557 0 N-CA-C 113.062 0.764 . . . . 0.0 113.062 177.155 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 8' ' ' GLY . . . . . . . . . . . . . . . 58.19 -138.1 49.21 Favored Glycine 0 CA--C 1.534 1.256 0 C-N-CA 124.184 0.897 . . . . 0.0 113.389 178.491 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 9' ' ' SER . . . . . . . . . . . . . 42.3 p -59.12 -32.27 69.69 Favored 'General case' 0 N--CA 1.472 0.655 0 C-N-CA 124.046 0.938 . . . . 0.0 113.516 177.796 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 10' ' ' HIS . . . . . . . . . . . . . 25.2 m-70 -67.14 -35.86 80.62 Favored 'General case' 0 N--CA 1.469 0.513 0 O-C-N 121.552 -0.718 . . . . 0.0 111.675 177.842 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 2.4 tm? -71.83 -40.76 68.85 Favored 'General case' 0 CA--C 1.539 0.534 0 C-N-CA 124.896 1.278 . . . . 0.0 112.261 175.792 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 84.1 t -62.97 -43.35 98.99 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.943 0 C-N-CA 123.295 0.638 . . . . 0.0 111.354 174.162 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 38.8 mt-10 -68.04 -41.54 81.92 Favored 'General case' 0 CA--C 1.538 0.512 0 O-C-N 121.536 -0.728 . . . . 0.0 112.276 174.108 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -61.96 -41.76 98.35 Favored 'General case' 0 CA--C 1.537 0.449 0 O-C-N 121.149 -0.969 . . . . 0.0 113.162 -179.338 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 2.6 pp -71.72 -34.38 69.53 Favored 'General case' 0 N--CA 1.468 0.458 0 CA-C-N 118.79 0.723 . . . . 0.0 111.426 178.974 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 16' ' ' TYR . . . . . . . . . . . . . 1.5 t80 -62.75 -42.5 99.71 Favored 'General case' 0 CA--C 1.541 0.61 0 C-N-CA 123.939 0.895 . . . . 0.0 111.435 171.669 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 43.6 mt -71.51 -44.56 64.43 Favored 'General case' 0 N--CA 1.469 0.479 0 C-N-CA 124.563 1.145 . . . . 0.0 112.703 -177.54 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 18' ' ' VAL . . . . . . . . . . . . . 9.3 p -73.45 -29.32 27.12 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.831 0 C-N-CA 123.038 0.535 . . . . 0.0 112.183 -179.104 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 19' ' ' CYS . . . . . . . . . . . . . 35.8 t -75.86 -34.1 60.04 Favored 'General case' 0 CA--C 1.539 0.535 0 C-N-CA 124.085 0.954 . . . . 0.0 112.544 171.291 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.084 0 N-CA-C 111.366 -0.694 . . . . 0.0 111.366 -166.275 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 1.1 tp . . . . . 0 N--CA 1.481 1.095 0 N-CA-C 113.402 0.89 . . . . 0.0 113.402 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 18.5 t -62.48 -46.68 95.81 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.295 0 O-C-N 120.701 -1.249 . . . . 0.0 110.687 178.993 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 17.7 pt-20 -69.16 5.77 1.14 Allowed 'General case' 0 CA--C 1.549 0.916 0 C-N-CA 126.201 1.8 . . . . 0.0 115.346 175.714 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 24.5 mm-40 -127.56 -31.05 2.52 Favored 'General case' 0 N--CA 1.473 0.721 0 C-N-CA 124.777 1.231 . . . . 0.0 113.296 174.691 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 67.4 m -110.27 -19.65 12.92 Favored 'General case' 0 CA--C 1.543 0.693 0 N-CA-C 115.698 1.74 . . . . 0.0 115.698 179.31 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 48.2 t -103.96 -37.51 7.36 Favored 'General case' 0 N--CA 1.476 0.845 0 CA-C-N 119.571 1.078 . . . . 0.0 113.165 -179.535 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 4.8 t -74.8 -24.6 58.67 Favored 'General case' 0 N--CA 1.481 1.114 0 O-C-N 121.552 -0.717 . . . . 0.0 112.749 176.099 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 8.7 t -151.22 168.82 23.55 Favored 'General case' 0 CA--C 1.538 0.498 0 C-N-CA 126.463 1.905 . . . . 0.0 110.323 172.753 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 47.5 mt -67.7 142.71 16.15 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.741 0 C-N-CA 124.512 1.125 . . . . 0.0 111.663 -177.867 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 9.4 p -133.1 169.86 16.24 Favored 'General case' 0 CA--C 1.546 0.791 0 C-N-CA 124.925 1.29 . . . . 0.0 111.863 167.311 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 34.3 m -113.58 159.64 19.4 Favored 'General case' 0 N--CA 1.474 0.769 0 C-N-CA 125.46 1.504 . . . . 0.0 111.418 -178.388 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 2.6 pt? -57.68 -30.92 65.86 Favored 'General case' 0 CA--C 1.542 0.657 0 N-CA-C 113.559 0.948 . . . . 0.0 113.559 177.205 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 25.5 m-85 -64.83 -25.3 67.85 Favored 'General case' 0 CA--C 1.539 0.55 0 C-N-CA 124.71 1.204 . . . . 0.0 113.292 175.197 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 19.4 mm100 -80.14 -46.28 16.7 Favored 'General case' 0 N--CA 1.467 0.41 0 C-N-CA 123.982 0.913 . . . . 0.0 110.655 171.11 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 81.4 mt -53.76 -33.45 55.84 Favored 'General case' 0 N--CA 1.474 0.77 0 C-N-CA 124.933 1.293 . . . . 0.0 113.758 179.65 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 39.5 mt-10 -57.73 -22.48 46.8 Favored 'General case' 0 N--CA 1.478 0.973 0 N-CA-C 114.436 1.273 . . . . 0.0 114.436 175.649 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 44.8 m-80 -81.18 -33.56 32.94 Favored 'General case' 0 N--CA 1.47 0.556 0 CA-C-N 119.156 0.889 . . . . 0.0 112.111 177.643 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 94.0 m-85 -75.27 -15.99 60.48 Favored 'General case' 0 N--CA 1.472 0.653 0 C-N-CA 124.332 1.053 . . . . 0.0 113.57 -176.559 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 32.9 t -65.76 -25.34 67.22 Favored 'General case' 0 CA--C 1.548 0.868 0 C-N-CA 124.054 0.942 . . . . 0.0 112.552 166.518 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 15.8 p30 . . . . . 0 CA--C 1.54 0.575 0 C-N-CA 126.189 1.796 . . . . 0.0 111.632 -171.486 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' B' B ' 1' ' ' PHE . . . . . . . . . . . . . 34.0 t80 . . . . . 0 CA--C 1.54 0.562 0 N-CA-C 111.89 0.33 . . . . 0.0 111.89 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' B' B ' 2' ' ' VAL . . . . . . . . . . . . . 17.7 m -135.89 136.0 50.24 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.744 0 C-N-CA 125.082 1.353 . . . . 0.0 110.216 167.475 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 3' ' ' ASN . . . . . . . . . . . . . 10.9 m-20 -63.19 143.02 58.15 Favored 'General case' 0 CA--C 1.535 0.385 0 CA-C-O 121.794 0.806 . . . . 0.0 112.387 -178.85 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 4' ' ' GLN . . . . . . . . . . . . . 6.9 pt20 -167.87 163.53 13.95 Favored 'General case' 0 CA--C 1.537 0.457 0 C-N-CA 126.627 1.971 . . . . 0.0 109.089 -177.827 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 5' ' ' HIS . . . . . . . . . . . . . 30.4 m-70 -72.62 72.53 1.03 Allowed 'General case' 0 CA--C 1.545 0.769 0 C-N-CA 125.206 1.402 . . . . 0.0 111.369 170.66 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 70.9 mt -62.24 135.99 57.73 Favored 'General case' 0 N--CA 1.47 0.56 0 C-N-CA 124.942 1.297 . . . . 0.0 111.447 178.295 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 7' ' ' CYS . . . . . . . . . . . . . 0.9 OUTLIER -148.41 157.69 43.63 Favored 'General case' 0 N--CA 1.47 0.573 0 N-CA-C 113.235 0.828 . . . . 0.0 113.235 -177.599 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 8' ' ' GLY . . . . . . . . . . . . . . . 54.16 -133.95 45.13 Favored Glycine 0 CA--C 1.533 1.213 0 C-N-CA 124.23 0.919 . . . . 0.0 113.584 174.863 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 9' ' ' SER . . . . . . . . . . . . . 25.4 m -57.14 -36.67 70.99 Favored 'General case' 0 N--CA 1.473 0.683 0 C-N-CA 123.891 0.876 . . . . 0.0 112.97 178.152 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 10' ' ' HIS . . . . . . . . . . . . . 31.2 m170 -64.97 -34.52 78.62 Favored 'General case' 0 N--CA 1.472 0.668 0 C-N-CA 123.539 0.736 . . . . 0.0 112.464 178.548 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 31.6 tp -71.03 -40.08 71.95 Favored 'General case' 0 CA--C 1.539 0.522 0 C-N-CA 124.08 0.952 . . . . 0.0 111.945 176.161 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 77.6 t -66.06 -43.29 92.47 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.746 0 C-N-CA 123.711 0.804 . . . . 0.0 111.135 174.176 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 44.7 mt-10 -64.06 -42.45 97.0 Favored 'General case' 0 N--CA 1.47 0.546 0 O-C-N 121.541 -0.725 . . . . 0.0 112.106 175.814 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -63.4 -39.27 94.04 Favored 'General case' 0 CA--C 1.543 0.676 0 O-C-N 121.315 -0.865 . . . . 0.0 113.136 -179.09 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 3.9 pp -77.17 -30.62 55.03 Favored 'General case' 0 N--CA 1.47 0.53 0 O-C-N 121.726 -0.609 . . . . 0.0 112.099 177.138 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 16' ' ' TYR . . . . . . . . . . . . . 1.8 t80 -63.93 -41.86 97.53 Favored 'General case' 0 CA--C 1.539 0.553 0 C-N-CA 123.544 0.738 . . . . 0.0 111.563 170.333 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 36.2 mt -69.02 -44.1 73.44 Favored 'General case' 0 N--CA 1.467 0.375 0 C-N-CA 124.066 0.946 . . . . 0.0 112.308 -177.373 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 18' ' ' VAL . . . . . . . . . . . . . 5.6 p -72.8 -30.48 33.1 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.75 0 N-CA-C 112.307 0.484 . . . . 0.0 112.307 179.61 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 19' ' ' CYS . . . . . . . . . . . . . 9.2 t -81.66 -29.04 33.27 Favored 'General case' 0 CA--C 1.542 0.646 0 N-CA-C 113.312 0.856 . . . . 0.0 113.312 177.405 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.539 1.543 0 C-N-CA 124.996 1.284 . . . . 0.0 114.208 -173.064 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 9.8 tt . . . . . 0 N--CA 1.48 1.06 0 N-CA-C 114.393 1.257 . . . . 0.0 114.393 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 15.7 t -57.97 -51.37 71.42 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.923 0 C-N-CA 123.915 0.886 . . . . 0.0 111.403 -165.884 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 12.4 pt-20 -92.36 19.63 6.93 Favored 'General case' 0 N--CA 1.477 0.878 0 C-N-CA 125.438 1.495 . . . . 0.0 113.628 178.13 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 20.7 mm-40 -120.13 -18.73 8.0 Favored 'General case' 0 N--CA 1.472 0.634 0 C-N-CA 124.887 1.275 . . . . 0.0 112.745 170.017 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 56.1 m -115.95 -29.36 6.37 Favored 'General case' 0 CA--C 1.54 0.57 0 C-N-CA 126.707 2.003 . . . . 0.0 112.357 175.162 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 2.3 t -100.95 170.82 8.03 Favored 'General case' 0 CA--C 1.542 0.643 0 N-CA-C 107.831 -1.174 . . . . 0.0 107.831 155.144 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER 60.65 -33.08 0.07 Allowed 'General case' 0 N--CA 1.484 1.24 0 C-N-CA 127.812 2.445 . . . . 0.0 115.446 -163.644 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 22.7 m -147.49 160.87 42.12 Favored 'General case' 0 N--CA 1.469 0.521 0 C-N-CA 127.396 2.278 . . . . 0.0 111.057 171.807 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 68.4 mt -70.59 145.22 12.94 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.796 0 C-N-CA 125.276 1.43 . . . . 0.0 111.887 -178.337 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 15.3 p -127.67 174.56 8.99 Favored 'General case' 0 CA--C 1.544 0.724 0 C-N-CA 124.959 1.303 . . . . 0.0 112.442 166.896 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 66.9 m -123.34 166.37 15.43 Favored 'General case' 0 N--CA 1.472 0.665 0 C-N-CA 125.913 1.685 . . . . 0.0 112.022 -176.987 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 2.4 pt? -52.87 -33.71 51.19 Favored 'General case' 0 N--CA 1.471 0.619 0 C-N-CA 123.916 0.887 . . . . 0.0 113.331 174.116 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 28.6 m-85 -60.02 -26.91 66.46 Favored 'General case' 0 CA--C 1.542 0.644 0 C-N-CA 124.992 1.317 . . . . 0.0 113.561 177.266 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 29.6 mm100 -88.98 -46.75 8.64 Favored 'General case' 0 N--CA 1.468 0.46 0 C-N-CA 124.489 1.116 . . . . 0.0 111.41 171.703 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 52.4 mt -61.53 -34.93 76.36 Favored 'General case' 0 CA--C 1.544 0.736 0 C-N-CA 123.698 0.799 . . . . 0.0 113.061 -176.857 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 36.4 mt-10 -69.82 -10.75 59.61 Favored 'General case' 0 CA--C 1.547 0.828 0 C-N-CA 125.166 1.386 . . . . 0.0 114.312 174.112 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 80.3 m-20 -92.83 -34.65 13.76 Favored 'General case' 0 CA--C 1.543 0.682 0 C-N-CA 124.139 0.976 . . . . 0.0 112.397 170.711 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 33.0 m-85 -74.21 -24.99 59.41 Favored 'General case' 0 N--CA 1.474 0.735 0 N-CA-C 113.602 0.964 . . . . 0.0 113.602 -174.555 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 24.9 p -68.73 -26.43 65.25 Favored 'General case' 0 CA--C 1.544 0.719 0 C-N-CA 124.619 1.168 . . . . 0.0 114.09 173.996 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 CA--C 1.545 0.779 0 C-N-CA 127.715 2.406 . . . . 0.0 113.723 -178.562 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 1' ' ' PHE . . . . . . . . . . . . . 70.0 t80 . . . . . 0 CA--C 1.543 0.689 0 N-CA-C 112.352 0.501 . . . . 0.0 112.352 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' B' B ' 2' ' ' VAL . . . . . . . . . . . . . 50.8 t -135.52 128.35 47.6 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.84 0 C-N-CA 125.564 1.546 . . . . 0.0 108.924 172.591 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 3' ' ' ASN . . . . . . . . . . . . . 26.0 m120 -60.05 139.55 57.39 Favored 'General case' 0 CA--C 1.535 0.39 0 CA-C-O 121.71 0.767 . . . . 0.0 112.878 -178.801 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 4' ' ' GLN . . . . . . . . . . . . . 6.5 pt20 -167.34 157.99 11.37 Favored 'General case' 0 CA--C 1.536 0.408 0 C-N-CA 126.668 1.987 . . . . 0.0 109.042 179.428 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 5' ' ' HIS . . . . . . . . . . . . . 39.4 m-70 -67.5 137.48 55.84 Favored 'General case' 0 N--CA 1.468 0.453 0 C-N-CA 123.061 0.545 . . . . 0.0 110.011 163.859 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 71.9 mt -133.86 124.61 26.77 Favored 'General case' 0 N--CA 1.465 0.324 0 C-N-CA 125.697 1.599 . . . . 0.0 109.823 -176.16 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 7' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -140.8 153.47 45.84 Favored 'General case' 0 CA--C 1.54 0.592 0 C-N-CA 124.015 0.926 . . . . 0.0 111.924 -169.972 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 8' ' ' GLY . . . . . . . . . . . . . . . 52.63 -132.16 39.7 Favored Glycine 0 CA--C 1.536 1.377 0 C-N-CA 124.039 0.828 . . . . 0.0 113.907 174.65 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 9' ' ' SER . . . . . . . . . . . . . 25.4 m -61.12 -33.06 72.79 Favored 'General case' 0 N--CA 1.474 0.744 0 O-C-N 121.74 -0.859 . . . . 0.0 113.224 177.896 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 10' ' ' HIS . . . . . . . . . . . . . 30.5 m170 -65.94 -32.99 74.8 Favored 'General case' 0 N--CA 1.473 0.706 0 C-N-CA 123.661 0.785 . . . . 0.0 112.334 178.168 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 54.2 tp -67.5 -44.44 78.47 Favored 'General case' 0 CA--C 1.537 0.466 0 C-N-CA 124.157 0.983 . . . . 0.0 111.917 174.452 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 63.2 t -65.19 -41.79 92.55 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.724 0 C-N-CA 124.028 0.931 . . . . 0.0 110.929 177.511 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 21.9 mm-40 -65.75 -45.61 81.94 Favored 'General case' 0 N--CA 1.468 0.435 0 O-C-N 121.64 -0.663 . . . . 0.0 111.991 174.834 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -63.14 -40.05 96.46 Favored 'General case' 0 CA--C 1.538 0.512 0 O-C-N 121.359 -0.838 . . . . 0.0 113.095 -176.794 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 3.8 pp -73.18 -34.66 66.12 Favored 'General case' 0 N--CA 1.469 0.509 0 CA-C-N 118.768 0.713 . . . . 0.0 111.791 177.758 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 16' ' ' TYR . . . . . . . . . . . . . 0.6 OUTLIER -61.75 -46.61 88.85 Favored 'General case' 0 CA--C 1.536 0.411 0 C-N-CA 123.194 0.598 . . . . 0.0 110.839 171.867 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 43.9 mt -68.05 -41.35 82.16 Favored 'General case' 0 CA--C 1.536 0.407 0 C-N-CA 124.125 0.97 . . . . 0.0 112.738 -175.74 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 18' ' ' VAL . . . . . . . . . . . . . 4.3 p -77.96 -28.12 15.23 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.744 0 N-CA-C 112.842 0.682 . . . . 0.0 112.842 -177.362 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 19' ' ' CYS . . . . . . . . . . . . . 47.2 t -99.11 -33.81 10.64 Favored 'General case' 0 CA--C 1.541 0.606 0 N-CA-C 114.52 1.304 . . . . 0.0 114.52 -176.198 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.539 1.555 0 C-N-CA 124.655 1.121 . . . . 0.0 114.19 -170.785 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 15.0 tt . . . . . 0 N--CA 1.482 1.172 0 N-CA-C 114.078 1.14 . . . . 0.0 114.078 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 3.9 p -56.17 -38.0 52.16 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.932 0 C-N-CA 124.302 1.041 . . . . 0.0 112.35 175.365 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 34.0 mt-10 -78.32 -2.94 40.54 Favored 'General case' 0 N--CA 1.476 0.849 0 C-N-CA 125.473 1.509 . . . . 0.0 114.182 177.051 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 16.8 tp60 -105.69 -30.11 9.66 Favored 'General case' 0 CA--C 1.54 0.594 0 C-N-CA 125.171 1.388 . . . . 0.0 112.492 170.351 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -126.51 -12.16 6.16 Favored 'General case' 0 CA--C 1.547 0.846 0 N-CA-C 116.538 2.051 . . . . 0.0 116.538 -167.465 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 48.5 t -102.04 -30.28 11.28 Favored 'General case' 0 N--CA 1.476 0.863 0 CA-C-N 119.766 1.166 . . . . 0.0 112.13 172.575 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 30.8 p -70.81 -38.6 73.31 Favored 'General case' 0 N--CA 1.474 0.765 0 C-N-CA 125.932 1.693 . . . . 0.0 112.386 175.124 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 75.6 m -146.46 168.24 21.66 Favored 'General case' 0 N--CA 1.468 0.425 0 C-N-CA 128.335 2.654 . . . . 0.0 109.746 177.384 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 71.6 mt -61.21 140.75 18.4 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.774 0 C-N-CA 123.529 0.732 . . . . 0.0 110.396 172.149 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 4.9 p -121.89 153.65 38.15 Favored 'General case' 0 CA--C 1.54 0.565 0 C-N-CA 123.627 0.771 . . . . 0.0 112.059 164.37 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 50.4 m -92.59 156.62 16.99 Favored 'General case' 0 N--CA 1.47 0.566 0 C-N-CA 124.44 1.096 . . . . 0.0 110.581 172.264 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 1.8 pp -58.52 -31.85 68.29 Favored 'General case' 0 N--CA 1.471 0.587 0 O-C-N 121.526 -0.734 . . . . 0.0 112.627 -178.3 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 41.4 m-85 -65.57 -24.39 67.08 Favored 'General case' 0 CA--C 1.542 0.668 0 C-N-CA 124.848 1.259 . . . . 0.0 113.729 178.094 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 39.2 mt-30 -85.49 -41.63 15.17 Favored 'General case' 0 N--CA 1.47 0.565 0 C-N-CA 125.111 1.365 . . . . 0.0 111.022 171.398 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . 0.258 0.1 OUTLIER -67.67 -26.17 66.07 Favored 'General case' 0 CA--C 1.557 1.22 0 C-N-CA 124.088 0.955 . . . . 0.0 111.501 178.697 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 31.8 mt-10 -64.83 -20.85 66.62 Favored 'General case' 0 N--CA 1.474 0.731 0 O-C-N 120.125 -1.609 . . . . 0.0 114.329 167.84 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 89.7 m-20 -63.24 -27.99 69.73 Favored 'General case' 0 N--CA 1.473 0.719 0 CA-C-N 120.68 1.582 . . . . 0.0 111.514 175.32 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 40.7 m-85 -80.78 -18.05 48.9 Favored 'General case' 0 CA--C 1.543 0.685 0 C-N-CA 124.258 1.023 . . . . 0.0 113.694 174.425 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 45.9 t -77.63 -44.68 27.44 Favored 'General case' 0 CA--C 1.544 0.741 0 C-N-CA 124.354 1.061 . . . . 0.0 111.411 166.366 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 51.6 t-20 . . . . . 0 CA--C 1.542 0.639 0 C-N-CA 125.218 1.407 . . . . 0.0 111.352 178.923 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' B' B ' 1' ' ' PHE . . . . . . . . . . . . . 24.2 t80 . . . . . 0 CA--C 1.541 0.609 0 CA-C-O 120.883 0.373 . . . . 0.0 111.997 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' B' B ' 2' ' ' VAL . . . . . . . . . . . . . 7.3 p -148.12 140.63 18.56 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.784 0 C-N-CA 124.686 1.194 . . . . 0.0 110.538 166.7 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 3' ' ' ASN . . . . . . . . . . . . . 25.2 m-20 -68.66 142.56 55.04 Favored 'General case' 0 N--CA 1.449 -0.486 0 CA-C-O 122.186 0.994 . . . . 0.0 113.344 -172.108 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 4' ' ' GLN . . . . . . . . . . . . . 5.9 pt20 -167.88 170.25 10.82 Favored 'General case' 0 CA--C 1.539 0.52 0 C-N-CA 127.653 2.381 . . . . 0.0 107.956 179.812 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 5' ' ' HIS . . . . . . . . . . . . . 15.9 m-70 -76.35 129.7 36.99 Favored 'General case' 0 CA--C 1.541 0.624 0 C-N-CA 124.052 0.941 . . . . 0.0 109.862 164.224 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 3.2 mm? -116.63 141.78 47.75 Favored 'General case' 0 N--CA 1.468 0.433 0 C-N-CA 125.392 1.477 . . . . 0.0 110.523 173.081 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 7' ' ' CYS . . . . . . . . . . . . . 0.9 OUTLIER -150.12 155.79 40.47 Favored 'General case' 0 CA--C 1.54 0.578 0 N-CA-C 112.952 0.723 . . . . 0.0 112.952 -177.234 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 8' ' ' GLY . . . . . . . . . . . . . . . 54.22 -133.59 45.59 Favored Glycine 0 CA--C 1.534 1.243 0 C-N-CA 124.254 0.931 . . . . 0.0 113.636 174.781 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 9' ' ' SER . . . . . . . . . . . . . 19.4 m -56.87 -35.9 69.45 Favored 'General case' 0 N--CA 1.473 0.681 0 C-N-CA 123.977 0.911 . . . . 0.0 112.929 177.595 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 10' ' ' HIS . . . . . . . . . . . . . 28.9 m170 -67.01 -28.8 68.54 Favored 'General case' 0 N--CA 1.472 0.662 0 C-N-CA 123.467 0.707 . . . . 0.0 112.627 177.757 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 34.3 tp -77.0 -36.8 56.14 Favored 'General case' 0 CA--C 1.538 0.503 0 C-N-CA 124.073 0.949 . . . . 0.0 112.163 175.066 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 79.6 t -64.46 -41.89 93.63 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.795 0 C-N-CA 123.559 0.744 . . . . 0.0 110.506 171.281 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 45.2 mt-10 -64.37 -42.33 96.24 Favored 'General case' 0 N--CA 1.469 0.496 0 O-C-N 121.582 -0.699 . . . . 0.0 112.015 173.132 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -61.18 -38.82 87.86 Favored 'General case' 0 CA--C 1.541 0.617 0 CA-C-N 119.262 0.937 . . . . 0.0 112.939 178.385 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 15' ' ' LEU . . . . . . . . . . . . 0.252 2.8 pp -78.9 -30.0 44.64 Favored 'General case' 0 N--CA 1.467 0.418 0 N-CA-C 112.704 0.631 . . . . 0.0 112.704 178.409 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 16' ' ' TYR . . . . . . . . . . . . . 1.2 t80 -61.15 -46.44 90.52 Favored 'General case' 0 CA--C 1.539 0.538 0 C-N-CA 123.143 0.577 . . . . 0.0 111.059 166.484 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 42.3 mt -68.39 -42.55 78.92 Favored 'General case' 0 CA--C 1.536 0.415 0 C-N-CA 124.029 0.932 . . . . 0.0 112.67 -175.379 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 18' ' ' VAL . . . . . . . . . . . . . 1.9 p -73.73 -30.43 28.9 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.842 0 N-CA-C 112.552 0.575 . . . . 0.0 112.552 -179.622 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 19' ' ' CYS . . . . . . . . . . . . . 7.8 t -93.04 -30.76 15.14 Favored 'General case' 0 CA--C 1.542 0.64 0 C-N-CA 124.562 1.145 . . . . 0.0 113.883 -175.209 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.537 1.466 0 C-N-CA 125.151 1.358 . . . . 0.0 115.065 -175.927 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 11.7 tt . . . . . 0 N--CA 1.482 1.162 0 N-CA-C 114.076 1.139 . . . . 0.0 114.076 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 7.3 p -57.44 -36.52 53.51 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.932 0 C-N-CA 124.206 1.002 . . . . 0.0 112.258 178.62 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 34.5 mt-10 -75.83 0.1 19.27 Favored 'General case' 0 N--CA 1.475 0.776 0 C-N-CA 126.625 1.97 . . . . 0.0 114.363 177.798 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 18.9 tp60 -114.73 -36.19 4.6 Favored 'General case' 0 CA--C 1.54 0.575 0 C-N-CA 124.981 1.312 . . . . 0.0 112.189 166.289 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 73.4 m -108.01 -16.3 14.32 Favored 'General case' 0 CA--C 1.538 0.493 0 N-CA-C 115.726 1.75 . . . . 0.0 115.726 -167.429 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 37.3 t -100.13 -24.74 14.5 Favored 'General case' 0 N--CA 1.475 0.796 0 CA-C-N 119.8 1.182 . . . . 0.0 111.682 169.112 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 46.0 p -78.67 -28.23 45.28 Favored 'General case' 0 N--CA 1.474 0.774 0 C-N-CA 126.322 1.849 . . . . 0.0 113.01 174.684 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 8.2 t -150.83 173.89 13.72 Favored 'General case' 0 CA--C 1.538 0.491 0 C-N-CA 126.792 2.037 . . . . 0.0 110.74 178.156 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 45.6 mt -67.35 141.96 17.18 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.594 0 C-N-CA 124.345 1.058 . . . . 0.0 111.297 179.059 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 21.8 m -123.12 138.16 54.73 Favored 'General case' 0 CA--C 1.538 0.483 0 C-N-CA 124.274 1.03 . . . . 0.0 111.776 166.922 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 69.3 m -94.06 161.98 14.06 Favored 'General case' 0 N--CA 1.469 0.488 0 C-N-CA 125.098 1.359 . . . . 0.0 111.147 172.316 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 1.9 pp -57.2 -36.0 70.31 Favored 'General case' 0 CA--C 1.543 0.703 0 C-N-CA 123.604 0.762 . . . . 0.0 112.336 -176.59 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 43.6 m-85 -66.34 -26.82 67.47 Favored 'General case' 0 CA--C 1.539 0.55 0 C-N-CA 125.336 1.454 . . . . 0.0 113.376 178.345 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 44.0 mt-30 -80.05 -45.36 18.45 Favored 'General case' 0 N--CA 1.467 0.415 0 C-N-CA 124.169 0.988 . . . . 0.0 110.288 173.825 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 96.8 mt -60.6 -33.26 72.48 Favored 'General case' 0 CA--C 1.543 0.698 0 C-N-CA 124.141 0.976 . . . . 0.0 113.091 179.455 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 38.0 mt-10 -56.98 -36.87 70.84 Favored 'General case' 0 N--CA 1.477 0.918 0 N-CA-C 113.352 0.871 . . . . 0.0 113.352 172.88 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 86.2 m-20 -66.77 -25.74 66.63 Favored 'General case' 0 CA--C 1.541 0.608 0 O-C-N 121.566 -0.709 . . . . 0.0 112.412 -176.224 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 96.9 m-85 -79.95 -10.27 59.76 Favored 'General case' 0 CA--C 1.541 0.613 0 C-N-CA 124.706 1.202 . . . . 0.0 113.828 178.056 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 13.0 t -74.83 -25.45 59.01 Favored 'General case' 0 CA--C 1.545 0.767 0 O-C-N 121.463 -0.773 . . . . 0.0 112.705 173.194 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 25.4 t-20 . . . . . 0 CA--C 1.544 0.722 0 C-N-CA 124.732 1.213 . . . . 0.0 112.352 179.681 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' B' B ' 1' ' ' PHE . . . . . . . . . . . . . 49.5 t80 . . . . . 0 CA--C 1.54 0.589 0 N-CA-C 112.272 0.471 . . . . 0.0 112.272 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' B' B ' 2' ' ' VAL . . . . . . . . . . . . . 47.9 t -136.24 131.95 49.19 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.777 0 C-N-CA 125.692 1.597 . . . . 0.0 108.24 168.035 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 3' ' ' ASN . . . . . . . . . . . . . 3.4 p-10 -61.78 146.86 48.18 Favored 'General case' 0 N--CA 1.467 0.398 0 CA-C-O 122.308 1.052 . . . . 0.0 113.702 179.998 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 4' ' ' GLN . . . . . . . . . . . . . 22.5 pt20 -168.24 173.48 7.78 Favored 'General case' 0 CA--C 1.538 0.508 0 C-N-CA 127.226 2.211 . . . . 0.0 108.574 178.428 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 5' ' ' HIS . . . . . . . . . . . . . 10.1 m-70 -73.99 134.29 43.06 Favored 'General case' 0 C--N 1.32 -0.696 0 C-N-CA 125.162 1.385 . . . . 0.0 109.627 160.097 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 3.2 mm? -119.14 142.39 47.98 Favored 'General case' 0 CA--C 1.538 0.49 0 C-N-CA 125.927 1.691 . . . . 0.0 110.615 174.915 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 7' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -146.7 158.16 43.85 Favored 'General case' 0 CA--C 1.541 0.617 0 N-CA-C 112.86 0.689 . . . . 0.0 112.86 -177.147 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 8' ' ' GLY . . . . . . . . . . . . . . . 54.37 -136.54 43.21 Favored Glycine 0 CA--C 1.534 1.22 0 C-N-CA 124.38 0.99 . . . . 0.0 113.746 175.412 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 9' ' ' SER . . . . . . . . . . . . . 22.7 m -59.96 -31.92 70.33 Favored 'General case' 0 N--CA 1.473 0.678 0 C-N-CA 123.822 0.849 . . . . 0.0 113.088 177.771 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 10' ' ' HIS . . . . . . . . . . . . . 29.5 m-70 -68.42 -30.94 69.95 Favored 'General case' 0 N--CA 1.473 0.679 0 O-C-N 121.497 -0.752 . . . . 0.0 112.233 178.829 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 57.9 tp -69.18 -41.57 77.0 Favored 'General case' 0 CA--C 1.538 0.481 0 C-N-CA 123.971 0.908 . . . . 0.0 111.912 173.56 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 59.8 t -66.52 -40.8 87.3 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.767 0 C-N-CA 123.88 0.872 . . . . 0.0 111.009 175.607 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 38.9 mt-10 -67.75 -42.48 81.74 Favored 'General case' 0 CA--C 1.536 0.424 0 O-C-N 121.366 -0.834 . . . . 0.0 112.242 175.477 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -63.02 -38.13 89.95 Favored 'General case' 0 CA--C 1.541 0.632 0 CA-C-N 119.389 0.995 . . . . 0.0 113.148 -177.739 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 3.1 pp -76.81 -33.14 58.0 Favored 'General case' 0 N--CA 1.471 0.589 0 O-C-N 121.686 -0.634 . . . . 0.0 111.88 177.728 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 16' ' ' TYR . . . . . . . . . . . . . 2.4 t80 -64.55 -41.26 96.45 Favored 'General case' 0 CA--C 1.54 0.594 0 C-N-CA 123.706 0.802 . . . . 0.0 111.293 172.059 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 37.8 mt -69.55 -44.09 71.62 Favored 'General case' 0 N--CA 1.467 0.422 0 C-N-CA 124.31 1.044 . . . . 0.0 112.169 -178.132 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 18' ' ' VAL . . . . . . . . . . . . . 6.0 p -71.86 -32.15 43.56 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.721 0 N-CA-C 111.94 0.348 . . . . 0.0 111.94 179.176 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 19' ' ' CYS . . . . . . . . . . . . . 15.4 t -76.47 -31.27 57.69 Favored 'General case' 0 CA--C 1.537 0.452 0 C-N-CA 123.247 0.619 . . . . 0.0 112.231 175.917 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.536 1.37 0 C-N-CA 125.756 1.646 . . . . 0.0 115.078 176.969 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 4.6 tp . . . . . 0 N--CA 1.48 1.062 0 N-CA-C 114.6 1.333 . . . . 0.0 114.6 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 7.3 p -66.72 -43.61 89.97 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.922 0 O-C-N 121.03 -1.044 . . . . 0.0 112.488 -178.156 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 47.4 mt-10 -78.01 8.54 4.6 Favored 'General case' 0 N--CA 1.475 0.82 0 N-CA-C 114.4 1.259 . . . . 0.0 114.4 176.955 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 54.8 mt-30 -117.22 -32.98 4.81 Favored 'General case' 0 CA--C 1.541 0.62 0 C-N-CA 125.287 1.435 . . . . 0.0 112.717 168.913 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 21.5 m -123.96 -4.32 8.05 Favored 'General case' 0 CA--C 1.543 0.687 0 N-CA-C 117.157 2.28 . . . . 0.0 117.157 -170.71 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 52.9 t -95.78 -26.68 15.57 Favored 'General case' 0 N--CA 1.475 0.806 0 CA-C-N 119.661 1.118 . . . . 0.0 111.141 159.254 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 41.6 p -80.29 -22.52 41.49 Favored 'General case' 0 N--CA 1.475 0.819 0 C-N-CA 126.698 1.999 . . . . 0.0 113.435 175.779 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 8.1 t -147.61 -175.93 5.05 Favored 'General case' 0 CA--C 1.54 0.584 0 C-N-CA 127.042 2.137 . . . . 0.0 110.154 175.776 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 35.7 mt -66.56 144.11 14.98 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.752 0 O-C-N 120.958 -1.089 . . . . 0.0 111.825 178.486 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -112.11 146.72 37.5 Favored 'General case' 0 CA--C 1.538 0.501 0 C-N-CA 123.947 0.899 . . . . 0.0 111.588 157.336 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 5.9 m -130.86 164.84 24.34 Favored 'General case' 0 N--CA 1.468 0.464 0 C-N-CA 127.457 2.303 . . . . 0.0 108.81 177.306 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 3.7 pp -58.27 -34.28 70.33 Favored 'General case' 0 N--CA 1.475 0.799 0 O-C-N 121.02 -1.05 . . . . 0.0 112.522 -179.754 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 54.4 m-85 -66.8 -24.54 66.19 Favored 'General case' 0 CA--C 1.542 0.66 0 C-N-CA 124.835 1.254 . . . . 0.0 113.589 175.786 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 38.0 mt-30 -85.84 -47.74 9.41 Favored 'General case' 0 N--CA 1.468 0.46 0 C-N-CA 125.106 1.362 . . . . 0.0 110.502 174.853 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 36.8 mt -61.7 -33.64 74.37 Favored 'General case' 0 CA--C 1.543 0.709 0 C-N-CA 124.932 1.293 . . . . 0.0 112.393 -178.853 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 76.7 mt-10 -60.43 -27.69 67.69 Favored 'General case' 0 N--CA 1.472 0.662 0 N-CA-C 113.634 0.975 . . . . 0.0 113.634 173.13 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 79.4 m-20 -67.95 -25.27 65.36 Favored 'General case' 0 CA--C 1.544 0.722 0 CA-C-N 119.695 1.134 . . . . 0.0 112.11 175.895 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 69.6 m-85 -88.65 -21.21 24.07 Favored 'General case' 0 CA--C 1.542 0.658 0 C-N-CA 124.95 1.3 . . . . 0.0 112.574 176.021 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 51.3 t -72.66 -43.51 63.05 Favored 'General case' 0 CA--C 1.544 0.712 0 C-N-CA 124.388 1.075 . . . . 0.0 111.763 165.475 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 49.1 t-20 . . . . . 0 CA--C 1.543 0.682 0 C-N-CA 125.786 1.634 . . . . 0.0 111.344 -177.949 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' B' B ' 1' ' ' PHE . . . . . . . . . . . . . 6.6 t80 . . . . . 0 CA--C 1.539 0.541 0 CA-C-O 120.952 0.406 . . . . 0.0 111.682 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' B' B ' 2' ' ' VAL . . . . . . . . . . . . . 60.5 t -117.57 128.13 74.86 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.666 0 C-N-CA 125.411 1.484 . . . . 0.0 108.036 165.768 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 3' ' ' ASN . . . . . . . . . . . . . 40.2 p-10 -56.26 148.57 18.19 Favored 'General case' 0 CA--C 1.535 0.391 0 N-CA-C 114.824 1.416 . . . . 0.0 114.824 -176.537 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 4' ' ' GLN . . . . . . . . . . . . . 6.8 pt20 -169.3 161.45 10.05 Favored 'General case' 0 CA--C 1.536 0.439 0 C-N-CA 126.764 2.026 . . . . 0.0 109.346 -172.614 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 5' ' ' HIS . . . . . . . . . . . . . 13.6 m-70 -61.28 132.51 53.84 Favored 'General case' 0 C--N 1.322 -0.627 0 C-N-CA 125.336 1.454 . . . . 0.0 109.557 164.483 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 39.6 mt -136.35 133.55 36.94 Favored 'General case' 0 N--CA 1.472 0.661 0 C-N-CA 124.947 1.299 . . . . 0.0 110.394 -171.831 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 7' ' ' CYS . . . . . . . . . . . . . 94.2 m -135.29 148.05 49.4 Favored 'General case' 0 CA--C 1.537 0.452 0 O-C-N 121.622 -0.674 . . . . 0.0 112.761 -168.616 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 8' ' ' GLY . . . . . . . . . . . . . . . 54.44 -131.76 46.26 Favored Glycine 0 CA--C 1.534 1.221 0 C-N-CA 123.969 0.795 . . . . 0.0 112.966 177.355 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 9' ' ' SER . . . . . . . . . . . . . 24.3 m -56.15 -34.67 66.36 Favored 'General case' 0 N--CA 1.472 0.632 0 C-N-CA 124.164 0.986 . . . . 0.0 113.253 178.696 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 10' ' ' HIS . . . . . . . . . . . . . 28.4 m170 -64.78 -34.54 78.59 Favored 'General case' 0 N--CA 1.472 0.654 0 CA-C-N 119.188 0.904 . . . . 0.0 112.564 179.692 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 36.1 tp -71.96 -39.42 69.37 Favored 'General case' 0 CA--C 1.537 0.479 0 C-N-CA 123.63 0.772 . . . . 0.0 111.78 176.316 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 60.2 t -67.06 -42.78 88.88 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.712 0 C-N-CA 123.896 0.878 . . . . 0.0 110.978 175.486 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 42.9 mt-10 -62.86 -40.91 98.94 Favored 'General case' 0 N--CA 1.468 0.464 0 O-C-N 121.451 -0.781 . . . . 0.0 111.954 175.652 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -63.55 -38.71 92.18 Favored 'General case' 0 CA--C 1.543 0.689 0 N-CA-C 113.117 0.784 . . . . 0.0 113.117 179.87 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 4.6 pp -78.92 -31.29 45.17 Favored 'General case' 0 N--CA 1.47 0.547 0 O-C-N 121.68 -0.638 . . . . 0.0 111.925 176.224 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 16' ' ' TYR . . . . . . . . . . . . . 2.5 t80 -63.51 -41.54 98.5 Favored 'General case' 0 CA--C 1.541 0.598 0 O-C-N 121.404 -0.81 . . . . 0.0 111.697 172.113 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 37.9 mt -67.39 -45.03 77.41 Favored 'General case' 0 N--CA 1.467 0.394 0 C-N-CA 123.933 0.893 . . . . 0.0 112.115 -178.222 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 18' ' ' VAL . . . . . . . . . . . . . 5.4 p -73.52 -30.87 30.97 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.677 0 N-CA-C 112.286 0.476 . . . . 0.0 112.286 179.751 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 19' ' ' CYS . . . . . . . . . . . . . 8.0 t -79.69 -33.9 40.67 Favored 'General case' 0 CA--C 1.542 0.672 0 C-N-CA 123.746 0.818 . . . . 0.0 112.76 179.231 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.538 1.483 0 C-N-CA 125.719 1.628 . . . . 0.0 115.27 177.172 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 12.9 tt . . . . . 0 N--CA 1.479 1.021 0 N-CA-C 114.547 1.314 . . . . 0.0 114.547 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 7.5 p -64.05 -43.62 97.57 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.923 0 CA-C-N 119.411 1.005 . . . . 0.0 112.107 -175.751 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 47.1 mt-10 -73.54 -8.6 56.6 Favored 'General case' 0 N--CA 1.474 0.741 0 C-N-CA 124.18 0.992 . . . . 0.0 113.584 176.032 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 46.0 mt-30 -104.13 -22.04 13.48 Favored 'General case' 0 CA--C 1.543 0.685 0 C-N-CA 125.121 1.368 . . . . 0.0 113.208 176.349 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 91.6 m -107.88 -30.93 8.22 Favored 'General case' 0 CA--C 1.547 0.838 0 C-N-CA 125.486 1.514 . . . . 0.0 115.035 178.96 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 19.9 t -80.93 -32.51 34.57 Favored 'General case' 0 N--CA 1.473 0.71 0 O-C-N 120.748 -1.22 . . . . 0.0 113.076 -171.283 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 13.9 t -93.13 -23.36 18.62 Favored 'General case' 0 N--CA 1.48 1.048 0 C-N-CA 124.978 1.311 . . . . 0.0 113.8 -176.761 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 10.8 t -153.62 159.79 42.22 Favored 'General case' 0 N--CA 1.471 0.581 0 C-N-CA 126.132 1.773 . . . . 0.0 110.304 175.537 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 22.1 mt -61.59 133.35 27.36 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.754 0 C-N-CA 123.573 0.749 . . . . 0.0 111.231 -177.816 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 21.0 p -112.8 163.49 14.54 Favored 'General case' 0 CA--C 1.541 0.628 0 C-N-CA 125.287 1.435 . . . . 0.0 111.516 171.504 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 68.0 m -121.81 161.92 21.82 Favored 'General case' 0 N--CA 1.475 0.821 0 C-N-CA 123.984 0.913 . . . . 0.0 113.274 -169.163 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 2.3 pt? -54.75 -33.19 60.89 Favored 'General case' 0 N--CA 1.473 0.675 0 C-N-CA 124.113 0.965 . . . . 0.0 113.58 -179.981 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 39.6 m-85 -64.05 -25.83 68.28 Favored 'General case' 0 CA--C 1.541 0.623 0 C-N-CA 124.391 1.076 . . . . 0.0 113.01 177.003 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 40.1 mt-30 -84.71 -45.89 11.98 Favored 'General case' 0 N--CA 1.467 0.381 0 C-N-CA 124.777 1.231 . . . . 0.0 110.707 172.336 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 60.3 mt -59.06 -39.93 83.59 Favored 'General case' 0 CA--C 1.54 0.584 0 C-N-CA 123.306 0.643 . . . . 0.0 112.551 178.69 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 4.1 mm-40 -54.76 -38.58 67.37 Favored 'General case' 0 CA--C 1.543 0.711 0 C-N-CA 125.175 1.39 . . . . 0.0 112.419 172.063 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 87.7 m-20 -77.71 -33.73 52.99 Favored 'General case' 0 CA--C 1.539 0.558 0 C-N-CA 124.015 0.926 . . . . 0.0 112.186 -179.825 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 19.7 m-85 -69.75 -31.42 69.37 Favored 'General case' 0 CA--C 1.543 0.675 0 CA-C-N 118.977 0.808 . . . . 0.0 112.184 173.566 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 95.4 m -75.06 -19.64 59.9 Favored 'General case' 0 CA--C 1.545 0.756 0 N-CA-C 113.982 1.104 . . . . 0.0 113.982 174.342 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 56.0 t-20 . . . . . 0 CA--C 1.543 0.686 0 C-N-CA 124.27 1.028 . . . . 0.0 112.134 -177.463 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' B' B ' 1' ' ' PHE . . . . . . . . . . . . . 16.3 t80 . . . . . 0 CA--C 1.539 0.535 0 N-CA-C 112.295 0.48 . . . . 0.0 112.295 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' B' B ' 2' ' ' VAL . . . . . . . . . . . . . 8.4 m -128.95 128.11 66.94 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.662 0 C-N-CA 125.466 1.506 . . . . 0.0 109.262 162.34 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 3' ' ' ASN . . . . . . . . . . . . . 35.1 p-10 -75.95 165.5 24.88 Favored 'General case' 0 CA--C 1.541 0.61 0 N-CA-C 114.643 1.349 . . . . 0.0 114.643 -177.682 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 4' ' ' GLN . . . . . . . . . . . . . 8.8 pt20 -161.89 -167.9 1.79 Allowed 'General case' 0 CA--C 1.545 0.751 0 C-N-CA 129.129 2.972 . . . . 0.0 107.585 177.167 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 5' ' ' HIS . . . . . . . . . . . . . 27.4 m-70 -77.29 65.96 2.96 Favored 'General case' 0 N--CA 1.472 0.666 0 C-N-CA 126.268 1.827 . . . . 0.0 110.759 173.703 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 59.2 mt -64.63 126.99 29.65 Favored 'General case' 0 CA--C 1.535 0.366 0 C-N-CA 125.768 1.627 . . . . 0.0 112.716 -169.026 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 7' ' ' CYS . . . . . . . . . . . . . 3.4 t -151.72 158.6 43.6 Favored 'General case' 0 CA--C 1.541 0.633 0 C-N-CA 123.596 0.758 . . . . 0.0 112.095 -178.456 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 8' ' ' GLY . . . . . . . . . . . . . . . 57.37 -135.65 51.45 Favored Glycine 0 CA--C 1.535 1.328 0 C-N-CA 123.77 0.7 . . . . 0.0 113.378 178.425 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 9' ' ' SER . . . . . . . . . . . . . 36.3 p -62.25 -32.88 73.64 Favored 'General case' 0 N--CA 1.472 0.654 0 N-CA-C 113.447 0.906 . . . . 0.0 113.447 177.563 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 10' ' ' HIS . . . . . . . . . . . . . 32.0 m170 -63.68 -36.38 83.65 Favored 'General case' 0 N--CA 1.474 0.727 0 O-C-N 121.492 -0.755 . . . . 0.0 112.271 177.48 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 58.4 tp -66.04 -43.18 88.27 Favored 'General case' 0 N--CA 1.468 0.451 0 C-N-CA 124.02 0.928 . . . . 0.0 111.883 174.99 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 64.0 t -63.84 -43.7 97.93 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.684 0 C-N-CA 123.678 0.791 . . . . 0.0 110.875 176.532 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 42.5 mt-10 -65.97 -42.49 89.81 Favored 'General case' 0 N--CA 1.47 0.536 0 O-C-N 121.685 -0.634 . . . . 0.0 112.553 176.424 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -65.02 -38.39 90.74 Favored 'General case' 0 CA--C 1.539 0.521 0 O-C-N 121.272 -0.893 . . . . 0.0 113.194 -179.354 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 3.3 pp -76.24 -36.86 58.3 Favored 'General case' 0 CA--C 1.537 0.475 0 O-C-N 121.855 -0.528 . . . . 0.0 110.682 177.549 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 16' ' ' TYR . . . . . . . . . . . . . 5.2 t80 -58.77 -38.94 79.61 Favored 'General case' 0 CA--C 1.541 0.612 0 O-C-N 121.357 -0.839 . . . . 0.0 111.967 170.634 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 20.3 mt -68.84 -51.09 44.27 Favored 'General case' 0 N--CA 1.464 0.256 0 C-N-CA 123.97 0.908 . . . . 0.0 112.067 -179.866 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 18' ' ' VAL . . . . . . . . . . . . . 6.4 p -70.57 -36.9 67.76 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.534 0 N-CA-C 111.807 0.299 . . . . 0.0 111.807 -176.63 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 19' ' ' CYS . . . . . . . . . . . . . 78.0 m -87.07 -27.68 23.01 Favored 'General case' 0 CA--C 1.536 0.441 0 C-N-CA 123.895 0.878 . . . . 0.0 113.13 -176.408 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.533 1.207 0 O-C-N 121.273 -0.892 . . . . 0.0 113.592 176.872 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 15.8 tt . . . . . 0 N--CA 1.477 0.891 0 N-CA-C 114.138 1.162 . . . . 0.0 114.138 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 14.4 t -62.79 -49.75 82.44 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.006 0 C-N-CA 123.979 0.912 . . . . 0.0 111.365 -172.048 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 16.4 pt-20 -64.66 -21.86 66.83 Favored 'General case' 0 CA--C 1.547 0.828 0 N-CA-C 113.941 1.089 . . . . 0.0 113.941 176.93 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 65.3 mm-40 -87.72 -33.8 18.6 Favored 'General case' 0 N--CA 1.469 0.491 0 C-N-CA 124.366 1.067 . . . . 0.0 112.891 177.266 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 96.6 m -110.62 -29.61 7.96 Favored 'General case' 0 CA--C 1.543 0.682 0 N-CA-C 114.879 1.437 . . . . 0.0 114.879 -170.828 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 20.6 t -88.2 -35.27 17.44 Favored 'General case' 0 N--CA 1.474 0.741 0 CA-C-N 119.546 1.066 . . . . 0.0 113.024 -171.653 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 12.0 t -107.89 -13.06 15.07 Favored 'General case' 0 N--CA 1.482 1.134 0 C-N-CA 125.575 1.55 . . . . 0.0 113.422 179.987 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 72.1 m -136.05 165.39 25.81 Favored 'General case' 0 N--CA 1.471 0.601 0 C-N-CA 127.155 2.182 . . . . 0.0 110.107 175.694 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 52.5 mt -81.34 136.08 23.8 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.708 0 O-C-N 121.329 -0.857 . . . . 0.0 110.041 174.12 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 19.4 p -121.8 169.03 11.16 Favored 'General case' 0 CA--C 1.543 0.683 0 C-N-CA 125.402 1.481 . . . . 0.0 111.979 173.927 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 46.1 m -124.98 160.9 27.88 Favored 'General case' 0 N--CA 1.474 0.765 0 C-N-CA 124.761 1.225 . . . . 0.0 112.48 -172.03 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -57.11 -28.41 62.66 Favored 'General case' 0 N--CA 1.471 0.603 0 N-CA-C 114.335 1.235 . . . . 0.0 114.335 -179.672 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 43.3 m-85 -62.47 -28.95 70.18 Favored 'General case' 0 CA--C 1.541 0.599 0 C-N-CA 124.544 1.138 . . . . 0.0 112.809 174.932 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 34.9 mt-30 -83.9 -44.53 14.17 Favored 'General case' 0 CA--C 1.536 0.424 0 C-N-CA 124.686 1.195 . . . . 0.0 110.448 175.271 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 76.9 mt -59.45 -36.51 76.08 Favored 'General case' 0 CA--C 1.543 0.701 0 C-N-CA 123.549 0.74 . . . . 0.0 112.958 177.823 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 4.4 mm-40 -60.71 -32.31 71.56 Favored 'General case' 0 CA--C 1.541 0.629 0 C-N-CA 124.819 1.248 . . . . 0.0 113.099 172.344 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 90.2 m-20 -79.04 -39.66 33.39 Favored 'General case' 0 CA--C 1.54 0.577 0 C-N-CA 123.437 0.695 . . . . 0.0 111.528 177.083 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 22.9 m-85 -65.73 -22.82 66.64 Favored 'General case' 0 N--CA 1.473 0.707 0 N-CA-C 113.487 0.921 . . . . 0.0 113.487 178.207 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 21.1 t -60.9 -25.28 66.62 Favored 'General case' 0 CA--C 1.548 0.868 0 N-CA-C 113.216 0.821 . . . . 0.0 113.216 171.676 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 37.8 m-80 . . . . . 0 N--CA 1.472 0.656 0 C-N-CA 126.11 1.764 . . . . 0.0 113.031 -179.366 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' B' B ' 1' ' ' PHE . . . . . . . . . . . . . 59.4 t80 . . . . . 0 CA--C 1.539 0.55 0 N-CA-C 112.203 0.445 . . . . 0.0 112.203 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' B' B ' 2' ' ' VAL . . . . . . . . . . . . . 59.1 t -134.34 127.16 50.18 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.797 0 C-N-CA 125.277 1.431 . . . . 0.0 109.192 176.019 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 3' ' ' ASN . . . . . . . . . . . . . 3.9 p-10 -57.03 129.26 40.93 Favored 'General case' 0 CA--C 1.535 0.377 0 C-N-CA 123.868 0.867 . . . . 0.0 112.903 179.081 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 4' ' ' GLN . . . . . . . . . . . . . 5.1 pt20 -163.71 155.56 17.08 Favored 'General case' 0 CA--C 1.537 0.458 0 C-N-CA 125.528 1.531 . . . . 0.0 110.481 173.635 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 5' ' ' HIS . . . . . . . . . . . . . 43.1 m-70 -73.06 77.48 1.22 Allowed 'General case' 0 CA--C 1.546 0.813 0 C-N-CA 124.997 1.319 . . . . 0.0 111.243 171.16 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 75.3 mt -64.16 126.52 28.0 Favored 'General case' 0 N--CA 1.471 0.598 0 C-N-CA 124.816 1.246 . . . . 0.0 112.192 179.475 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 7' ' ' CYS . . . . . . . . . . . . . 4.1 t -151.76 160.83 43.44 Favored 'General case' 0 N--CA 1.471 0.613 0 N-CA-C 112.872 0.693 . . . . 0.0 112.872 178.302 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 8' ' ' GLY . . . . . . . . . . . . . . . 58.64 -137.14 50.54 Favored Glycine 0 CA--C 1.532 1.151 0 C-N-CA 124.001 0.81 . . . . 0.0 112.862 179.998 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 9' ' ' SER . . . . . . . . . . . . . 24.8 m -58.17 -35.69 71.94 Favored 'General case' 0 N--CA 1.473 0.693 0 C-N-CA 123.65 0.78 . . . . 0.0 112.825 178.12 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 10' ' ' HIS . . . . . . . . . . . . . 32.5 m170 -62.96 -37.3 86.52 Favored 'General case' 0 N--CA 1.472 0.675 0 C-N-CA 123.617 0.767 . . . . 0.0 112.471 178.708 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 51.9 tp -67.39 -43.33 81.58 Favored 'General case' 0 CA--C 1.536 0.406 0 C-N-CA 124.171 0.989 . . . . 0.0 112.173 176.179 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 75.9 t -66.2 -43.61 91.83 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.697 0 C-N-CA 123.746 0.818 . . . . 0.0 110.849 177.165 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 42.2 mt-10 -66.0 -42.67 89.45 Favored 'General case' 0 N--CA 1.467 0.401 0 O-C-N 121.613 -0.679 . . . . 0.0 112.117 176.956 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -62.79 -39.76 95.25 Favored 'General case' 0 CA--C 1.539 0.532 0 CA-C-N 119.272 0.942 . . . . 0.0 113.026 -178.392 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 3.2 pp -77.45 -33.45 54.72 Favored 'General case' 0 N--CA 1.467 0.414 0 O-C-N 121.798 -0.564 . . . . 0.0 111.809 179.405 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 16' ' ' TYR . . . . . . . . . . . . . 3.4 t80 -63.22 -43.22 98.7 Favored 'General case' 0 CA--C 1.539 0.552 0 C-N-CA 123.83 0.852 . . . . 0.0 111.298 171.579 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 43.2 mt -69.06 -45.58 69.99 Favored 'General case' 0 N--CA 1.467 0.417 0 C-N-CA 123.978 0.911 . . . . 0.0 112.435 -178.936 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 18' ' ' VAL . . . . . . . . . . . . . 3.9 p -71.8 -31.26 40.71 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.84 0 N-CA-C 112.272 0.471 . . . . 0.0 112.272 -177.489 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 19' ' ' CYS . . . . . . . . . . . . . 21.0 t -81.7 -37.55 27.19 Favored 'General case' 0 CA--C 1.542 0.657 0 C-N-CA 124.135 0.974 . . . . 0.0 112.066 177.658 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.537 1.414 0 C-N-CA 126.513 2.006 . . . . 0.0 114.238 174.412 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 12.2 tt . . . . . 0 N--CA 1.482 1.128 0 N-CA-C 115.831 1.789 . . . . 0.0 115.831 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 9.8 p -62.68 -43.77 98.88 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.779 0 C-N-CA 123.525 0.73 . . . . 0.0 112.708 -170.249 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 46.9 mt-10 -78.27 -46.92 19.03 Favored 'General case' 0 N--CA 1.464 0.275 0 C-N-CA 123.39 0.676 . . . . 0.0 110.326 172.472 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 45.4 tt0 -59.33 -41.25 88.69 Favored 'General case' 0 CA--C 1.535 0.38 0 C-N-CA 124.324 1.05 . . . . 0.0 112.877 -171.135 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 57.5 m -85.21 -26.53 26.67 Favored 'General case' 0 CA--C 1.539 0.524 0 N-CA-C 113.339 0.866 . . . . 0.0 113.339 177.482 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 6.6 t -78.29 -26.99 47.26 Favored 'General case' 0 CA--C 1.546 0.82 0 CA-C-N 119.327 0.967 . . . . 0.0 112.594 176.841 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 1.3 t -99.19 -21.93 15.89 Favored 'General case' 0 N--CA 1.478 0.935 0 C-N-CA 125.462 1.505 . . . . 0.0 114.06 -179.624 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 6.5 t -148.89 177.96 9.09 Favored 'General case' 0 N--CA 1.471 0.615 0 C-N-CA 125.387 1.475 . . . . 0.0 112.198 -177.228 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 34.9 mt -70.49 143.51 14.54 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.532 0 C-N-CA 124.485 1.114 . . . . 0.0 111.77 179.77 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 54.2 m -122.94 132.11 54.02 Favored 'General case' 0 CA--C 1.538 0.498 0 C-N-CA 124.776 1.23 . . . . 0.0 111.587 167.126 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 95.7 p -85.85 168.26 14.42 Favored 'General case' 0 N--CA 1.469 0.517 0 C-N-CA 124.858 1.263 . . . . 0.0 112.531 172.891 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -59.64 -28.13 66.95 Favored 'General case' 0 CA--C 1.541 0.602 0 N-CA-C 112.978 0.733 . . . . 0.0 112.978 167.38 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 37.0 m-85 -69.73 -41.59 75.08 Favored 'General case' 0 N--CA 1.466 0.371 0 O-C-N 121.719 -0.613 . . . . 0.0 111.308 176.614 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 39.7 mt-30 -65.26 -47.47 76.61 Favored 'General case' 0 N--CA 1.465 0.319 0 C-N-CA 123.454 0.702 . . . . 0.0 110.64 175.926 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 77.0 mt -62.56 -36.16 81.79 Favored 'General case' 0 CA--C 1.542 0.672 0 C-N-CA 123.819 0.847 . . . . 0.0 113.025 -179.907 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 37.6 mt-10 -68.67 -40.42 80.15 Favored 'General case' 0 N--CA 1.473 0.676 0 O-C-N 121.596 -0.69 . . . . 0.0 112.557 169.213 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 95.5 m-20 -64.08 -31.47 72.67 Favored 'General case' 0 CA--C 1.542 0.654 0 O-C-N 121.075 -1.016 . . . . 0.0 112.56 177.456 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 25.0 m-85 -73.56 -34.75 65.3 Favored 'General case' 0 CA--C 1.54 0.593 0 CA-C-N 118.652 0.66 . . . . 0.0 112.73 175.038 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 2.6 p -81.06 -34.04 33.02 Favored 'General case' 0 CA--C 1.541 0.598 0 N-CA-C 113.369 0.878 . . . . 0.0 113.369 -179.379 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 53.3 t-20 . . . . . 0 CA--C 1.544 0.726 0 C-N-CA 125.198 1.399 . . . . 0.0 112.201 179.398 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' B' B ' 1' ' ' PHE . . . . . . . . . . . . . 55.3 t80 . . . . . 0 CA--C 1.54 0.578 0 N-CA-C 112.199 0.444 . . . . 0.0 112.199 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' B' B ' 2' ' ' VAL . . . . . . . . . . . . . 22.2 m -135.59 139.51 46.32 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.789 0 C-N-CA 124.985 1.314 . . . . 0.0 110.102 165.249 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 3' ' ' ASN . . . . . . . . . . . . . 77.1 m-20 -57.85 136.62 57.01 Favored 'General case' 0 N--CA 1.468 0.474 0 C-N-CA 123.015 0.526 . . . . 0.0 111.662 178.692 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 4' ' ' GLN . . . . . . . . . . . . . 8.2 pt20 -164.38 158.7 18.86 Favored 'General case' 0 CA--C 1.535 0.372 0 C-N-CA 124.778 1.231 . . . . 0.0 110.809 -176.963 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 5' ' ' HIS . . . . . . . . . . . . . 17.2 m-70 -66.45 140.78 58.05 Favored 'General case' 0 CA--C 1.543 0.683 0 C-N-CA 125.061 1.344 . . . . 0.0 109.845 162.364 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 62.0 mt -142.35 129.33 20.72 Favored 'General case' 0 N--CA 1.473 0.685 0 C-N-CA 125.17 1.388 . . . . 0.0 111.386 -175.07 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 7' ' ' CYS . . . . . . . . . . . . . 4.9 t -147.34 158.38 43.94 Favored 'General case' 0 CA--C 1.54 0.586 0 C-N-CA 123.339 0.656 . . . . 0.0 112.361 -179.059 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 8' ' ' GLY . . . . . . . . . . . . . . . 58.12 -136.95 50.46 Favored Glycine 0 CA--C 1.534 1.226 0 C-N-CA 124.048 0.832 . . . . 0.0 113.612 177.851 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 9' ' ' SER . . . . . . . . . . . . . 38.7 p -59.85 -32.07 70.34 Favored 'General case' 0 N--CA 1.472 0.628 0 C-N-CA 124.198 0.999 . . . . 0.0 113.543 178.275 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 10' ' ' HIS . . . . . . . . . . . . . 26.4 m-70 -66.89 -37.65 84.79 Favored 'General case' 0 N--CA 1.47 0.574 0 CA-C-N 118.721 0.691 . . . . 0.0 111.781 178.502 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 58.1 tp -65.75 -44.58 85.48 Favored 'General case' 0 CA--C 1.537 0.465 0 C-N-CA 124.107 0.963 . . . . 0.0 111.95 174.243 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 85.8 t -63.36 -45.22 98.69 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.78 0 C-N-CA 123.658 0.783 . . . . 0.0 111.031 178.351 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 39.0 mt-10 -67.65 -41.93 83.04 Favored 'General case' 0 N--CA 1.469 0.518 0 O-C-N 121.697 -0.627 . . . . 0.0 112.396 177.008 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -63.59 -40.23 96.41 Favored 'General case' 0 CA--C 1.538 0.499 0 CA-C-N 119.029 0.832 . . . . 0.0 112.733 -179.211 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 3.1 pp -75.53 -35.22 60.76 Favored 'General case' 0 N--CA 1.469 0.502 0 CA-C-N 118.436 0.562 . . . . 0.0 111.572 179.704 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 16' ' ' TYR . . . . . . . . . . . . . 2.6 t80 -61.22 -44.11 97.79 Favored 'General case' 0 CA--C 1.54 0.558 0 C-N-CA 123.913 0.885 . . . . 0.0 111.16 173.08 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 53.6 mt -67.07 -51.64 52.01 Favored 'General case' 0 CA--C 1.532 0.275 0 C-N-CA 123.49 0.716 . . . . 0.0 111.789 179.401 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 18' ' ' VAL . . . . . . . . . . . . . 4.9 p -72.42 -28.65 29.02 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.777 0 N-CA-C 112.917 0.71 . . . . 0.0 112.917 -173.302 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 19' ' ' CYS . . . . . . . . . . . . . 9.1 t -81.0 -33.2 33.86 Favored 'General case' 0 CA--C 1.545 0.76 0 C-N-CA 123.389 0.676 . . . . 0.0 112.187 174.799 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.536 1.397 0 C-N-CA 124.755 1.169 . . . . 0.0 115.4 -179.262 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 N--CA 1.479 1.016 0 N-CA-C 114.7 1.37 . . . . 0.0 114.7 . . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 7.6 p -57.56 -43.26 82.86 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.885 0 O-C-N 121.123 -0.985 . . . . 0.0 112.497 177.837 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 42.0 mt-10 -70.09 -31.79 69.54 Favored 'General case' 0 N--CA 1.475 0.822 0 O-C-N 120.715 -1.241 . . . . 0.0 112.541 176.66 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 7.7 mm100 -71.03 -28.46 64.41 Favored 'General case' 0 CA--C 1.541 0.617 0 C-N-CA 124.053 0.941 . . . . 0.0 112.839 178.771 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 67.7 m -116.71 -30.37 5.81 Favored 'General case' 0 CA--C 1.547 0.838 0 N-CA-C 115.81 1.782 . . . . 0.0 115.81 -174.308 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 29.4 t -82.39 -32.62 29.09 Favored 'General case' 0 N--CA 1.477 0.885 0 CA-C-N 120.528 1.513 . . . . 0.0 113.112 -170.065 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 14.4 t -113.26 -10.53 13.33 Favored 'General case' 0 N--CA 1.48 1.026 0 C-N-CA 125.673 1.589 . . . . 0.0 113.413 -176.683 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 8.4 t -143.16 163.1 33.83 Favored 'General case' 0 N--CA 1.469 0.506 0 C-N-CA 126.085 1.754 . . . . 0.0 111.185 175.438 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 24.3 mt -70.03 140.4 18.64 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.601 0 C-N-CA 124.096 0.959 . . . . 0.0 111.332 179.798 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 29.3 p -130.38 162.7 28.52 Favored 'General case' 0 CA--C 1.542 0.645 0 C-N-CA 124.627 1.171 . . . . 0.0 112.09 170.15 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 19.6 m -126.31 163.39 23.34 Favored 'General case' 0 N--CA 1.474 0.739 0 C-N-CA 124.418 1.087 . . . . 0.0 112.292 -170.042 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 2.4 pt? -51.64 -36.32 45.63 Favored 'General case' 0 N--CA 1.475 0.791 0 C-N-CA 124.278 1.031 . . . . 0.0 113.242 175.959 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 31.9 m-85 -60.15 -27.35 67.01 Favored 'General case' 0 CA--C 1.539 0.52 0 C-N-CA 125.032 1.333 . . . . 0.0 113.098 177.124 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 7.7 mt-30 -95.71 -40.13 9.53 Favored 'General case' 0 CA--C 1.538 0.483 0 C-N-CA 123.856 0.862 . . . . 0.0 111.764 173.552 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 60.9 mt -60.99 -36.37 79.28 Favored 'General case' 0 N--CA 1.471 0.577 0 C-N-CA 123.949 0.9 . . . . 0.0 112.878 -178.721 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 40.6 mt-10 -66.5 -30.04 70.28 Favored 'General case' 0 CA--C 1.547 0.828 0 O-C-N 121.513 -0.742 . . . . 0.0 112.583 172.36 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 48.0 m-80 -75.79 -33.0 60.13 Favored 'General case' 0 N--CA 1.47 0.567 0 O-C-N 120.965 -1.084 . . . . 0.0 112.801 174.442 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 27.1 m-85 -71.16 -27.61 63.67 Favored 'General case' 0 N--CA 1.472 0.662 0 CA-C-N 119.11 0.868 . . . . 0.0 112.355 172.713 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 48.4 t -68.83 -44.4 73.53 Favored 'General case' 0 CA--C 1.545 0.77 0 C-N-CA 123.747 0.819 . . . . 0.0 112.391 167.958 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 50.9 t-20 . . . . . 0 CA--C 1.546 0.789 0 C-N-CA 124.535 1.134 . . . . 0.0 112.58 -176.712 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' B' B ' 1' ' ' PHE . . . . . . . . . . . . . 60.0 t80 . . . . . 0 CA--C 1.541 0.627 0 N-CA-C 112.346 0.498 . . . . 0.0 112.346 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' B' B ' 2' ' ' VAL . . . . . . . . . . . . . 18.4 m -134.12 139.95 47.18 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.844 0 C-N-CA 125.399 1.479 . . . . 0.0 110.143 166.697 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 3' ' ' ASN . . . . . . . . . . . . . 72.8 m-20 -54.09 139.29 35.49 Favored 'General case' 0 N--CA 1.471 0.586 0 N-CA-C 113.378 0.881 . . . . 0.0 113.378 -179.265 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 4' ' ' GLN . . . . . . . . . . . . . 10.3 pt20 -165.97 155.15 11.69 Favored 'General case' 0 CA--C 1.536 0.412 0 C-N-CA 124.705 1.202 . . . . 0.0 111.672 -172.248 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 5' ' ' HIS . . . . . . . . . . . . . 27.9 m-70 -76.8 143.26 39.92 Favored 'General case' 0 CA--C 1.542 0.669 0 C-N-CA 124.902 1.281 . . . . 0.0 110.144 159.359 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 23.2 mt -144.97 134.23 22.9 Favored 'General case' 0 N--CA 1.473 0.694 0 C-N-CA 126.179 1.792 . . . . 0.0 110.706 -176.658 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 7' ' ' CYS . . . . . . . . . . . . . 3.9 t -149.37 159.95 43.84 Favored 'General case' 0 CA--C 1.541 0.628 0 O-C-N 121.516 -0.74 . . . . 0.0 112.819 -179.245 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 8' ' ' GLY . . . . . . . . . . . . . . . 56.66 -138.83 46.12 Favored Glycine 0 CA--C 1.533 1.206 0 C-N-CA 124.393 0.997 . . . . 0.0 113.543 177.01 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 9' ' ' SER . . . . . . . . . . . . . 22.7 m -59.56 -31.23 69.24 Favored 'General case' 0 N--CA 1.473 0.706 0 N-CA-C 113.2 0.815 . . . . 0.0 113.2 178.065 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 10' ' ' HIS . . . . . . . . . . . . . 28.4 m-70 -67.43 -35.97 80.3 Favored 'General case' 0 N--CA 1.471 0.578 0 O-C-N 121.573 -0.704 . . . . 0.0 111.831 178.25 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 49.9 tp -66.24 -44.12 84.65 Favored 'General case' 0 CA--C 1.537 0.443 0 C-N-CA 123.961 0.904 . . . . 0.0 111.862 174.151 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 84.4 t -63.24 -43.67 98.85 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.787 0 C-N-CA 123.78 0.832 . . . . 0.0 111.085 177.437 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 39.8 mt-10 -67.23 -43.98 80.63 Favored 'General case' 0 CA--C 1.537 0.452 0 O-C-N 121.56 -0.712 . . . . 0.0 112.242 175.682 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -62.77 -40.41 97.2 Favored 'General case' 0 CA--C 1.538 0.499 0 O-C-N 121.182 -0.949 . . . . 0.0 112.805 -179.265 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 3.7 pp -73.85 -31.22 63.09 Favored 'General case' 0 CA--C 1.536 0.406 0 CA-C-N 118.598 0.636 . . . . 0.0 112.279 177.866 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 16' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -63.27 -46.79 85.2 Favored 'General case' 0 N--CA 1.469 0.506 0 CA-C-N 118.771 0.714 . . . . 0.0 110.811 169.705 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 39.2 mt -67.5 -41.49 84.4 Favored 'General case' 0 CA--C 1.535 0.387 0 C-N-CA 124.212 1.005 . . . . 0.0 112.375 -174.091 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 18' ' ' VAL . . . . . . . . . . . . . 4.7 p -75.67 -28.27 19.45 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.745 0 C-N-CA 123.217 0.607 . . . . 0.0 112.537 179.842 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 19' ' ' CYS . . . . . . . . . . . . . 29.6 t -83.26 -32.33 26.49 Favored 'General case' 0 CA--C 1.542 0.646 0 C-N-CA 124.461 1.104 . . . . 0.0 113.686 177.179 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.538 1.503 0 C-N-CA 125.092 1.329 . . . . 0.0 114.382 -172.999 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 N--CA 1.478 0.965 0 N-CA-C 112.993 0.738 . . . . 0.0 112.993 . . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 7.5 p -62.99 -40.14 87.89 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.99 0 O-C-N 121.078 -1.014 . . . . 0.0 111.803 177.0 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 46.8 mt-10 -75.45 7.39 3.63 Favored 'General case' 0 N--CA 1.475 0.785 0 N-CA-C 114.908 1.447 . . . . 0.0 114.908 175.585 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 18.0 tp60 -116.38 -37.41 3.76 Favored 'General case' 0 CA--C 1.54 0.568 0 C-N-CA 124.624 1.17 . . . . 0.0 112.513 165.466 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 65.9 m -108.31 -13.76 14.82 Favored 'General case' 0 CA--C 1.544 0.712 0 N-CA-C 115.87 1.804 . . . . 0.0 115.87 -170.041 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 34.8 t -95.91 -23.5 16.85 Favored 'General case' 0 N--CA 1.473 0.713 0 CA-C-N 119.405 1.002 . . . . 0.0 111.69 167.714 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 38.8 p -82.39 -33.48 28.7 Favored 'General case' 0 N--CA 1.472 0.638 0 C-N-CA 126.615 1.966 . . . . 0.0 112.73 178.39 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 75.0 m -144.04 169.03 18.61 Favored 'General case' 0 N--CA 1.471 0.606 0 C-N-CA 127.431 2.293 . . . . 0.0 110.749 178.138 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 49.6 mt -65.01 141.94 17.58 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.764 0 O-C-N 121.315 -0.866 . . . . 0.0 110.639 171.945 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 38.2 m -117.13 141.37 48.36 Favored 'General case' 0 CA--C 1.537 0.466 0 C-N-CA 124.532 1.133 . . . . 0.0 111.887 168.046 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 51.1 m -89.39 162.71 15.64 Favored 'General case' 0 N--CA 1.47 0.555 0 C-N-CA 125.13 1.372 . . . . 0.0 111.802 171.794 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -57.06 -34.53 68.36 Favored 'General case' 0 CA--C 1.545 0.775 0 N-CA-C 113.399 0.889 . . . . 0.0 113.399 176.339 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 44.2 m-85 -61.89 -28.87 69.81 Favored 'General case' 0 CA--C 1.54 0.574 0 C-N-CA 124.669 1.187 . . . . 0.0 113.122 175.471 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 43.4 mt-30 -83.22 -51.97 7.0 Favored 'General case' 0 N--CA 1.465 0.317 0 C-N-CA 124.495 1.118 . . . . 0.0 110.231 176.129 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 96.6 mt -60.01 -38.45 82.69 Favored 'General case' 0 CA--C 1.538 0.509 0 C-N-CA 124.136 0.975 . . . . 0.0 113.074 -175.539 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 39.0 mt-10 -63.96 -26.92 68.8 Favored 'General case' 0 CA--C 1.545 0.752 0 N-CA-C 113.351 0.871 . . . . 0.0 113.351 178.125 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 89.3 m-20 -70.12 -30.97 68.3 Favored 'General case' 0 CA--C 1.541 0.627 0 O-C-N 121.22 -0.925 . . . . 0.0 112.413 178.194 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 91.3 m-85 -72.88 -14.75 61.55 Favored 'General case' 0 N--CA 1.471 0.611 0 C-N-CA 124.407 1.083 . . . . 0.0 113.597 178.866 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 20.7 t -76.12 -26.15 56.09 Favored 'General case' 0 CA--C 1.546 0.81 0 C-N-CA 124.532 1.133 . . . . 0.0 113.258 176.233 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 63.3 t-20 . . . . . 0 CA--C 1.542 0.641 0 C-N-CA 124.467 1.107 . . . . 0.0 111.78 -179.489 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' B' B ' 1' ' ' PHE . . . . . . . . . . . . . 84.1 t80 . . . . . 0 CA--C 1.543 0.68 0 N-CA-C 112.556 0.576 . . . . 0.0 112.556 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' B' B ' 2' ' ' VAL . . . . . . . . . . . . . 61.5 t -133.02 131.11 58.83 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.738 0 C-N-CA 125.775 1.63 . . . . 0.0 108.532 171.454 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 3' ' ' ASN . . . . . . . . . . . . . 8.1 m-20 -54.39 138.8 38.89 Favored 'General case' 0 CA--C 1.536 0.437 0 N-CA-C 113.717 1.006 . . . . 0.0 113.717 -173.848 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 4' ' ' GLN . . . . . . . . . . . . . 7.8 pt20 -168.75 159.13 9.56 Favored 'General case' 0 CA--C 1.537 0.469 0 C-N-CA 126.717 2.007 . . . . 0.0 109.302 -178.092 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 5' ' ' HIS . . . . . . . . . . . . . 28.1 m-70 -67.85 142.68 56.05 Favored 'General case' 0 N--CA 1.471 0.622 0 C-N-CA 123.999 0.92 . . . . 0.0 110.243 162.816 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 49.9 mt -141.9 139.01 32.45 Favored 'General case' 0 N--CA 1.472 0.653 0 C-N-CA 125.62 1.568 . . . . 0.0 110.506 -174.678 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 7' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -142.61 155.51 44.97 Favored 'General case' 0 N--CA 1.474 0.734 0 N-CA-C 113.266 0.839 . . . . 0.0 113.266 -175.488 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 8' ' ' GLY . . . . . . . . . . . . . . . 52.23 -133.74 37.6 Favored Glycine 0 CA--C 1.535 1.318 0 C-N-CA 124.172 0.891 . . . . 0.0 114.129 173.028 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 9' ' ' SER . . . . . . . . . . . . . 37.6 p -61.74 -31.55 71.73 Favored 'General case' 0 N--CA 1.47 0.565 0 N-CA-C 113.455 0.909 . . . . 0.0 113.455 176.761 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 10' ' ' HIS . . . . . . . . . . . . . 30.2 m170 -65.0 -37.44 87.66 Favored 'General case' 0 N--CA 1.47 0.559 0 CA-C-N 119.156 0.889 . . . . 0.0 111.875 176.656 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 43.6 tp -66.97 -45.7 76.89 Favored 'General case' 0 N--CA 1.467 0.395 0 C-N-CA 123.88 0.872 . . . . 0.0 111.894 173.965 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 91.7 t -61.78 -43.84 97.88 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.805 0 C-N-CA 123.523 0.729 . . . . 0.0 111.352 178.77 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 43.7 mt-10 -68.78 -44.56 73.39 Favored 'General case' 0 N--CA 1.47 0.532 0 O-C-N 121.792 -0.567 . . . . 0.0 112.324 175.531 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -64.84 -37.39 87.45 Favored 'General case' 0 CA--C 1.538 0.5 0 CA-C-N 119.297 0.953 . . . . 0.0 112.836 -177.256 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 2.9 pp -75.09 -31.52 61.22 Favored 'General case' 0 N--CA 1.469 0.488 0 CA-C-N 118.494 0.588 . . . . 0.0 111.774 179.857 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 16' ' ' TYR . . . . . . . . . . . . . 4.1 t80 -70.15 -37.46 75.24 Favored 'General case' 0 CA--C 1.541 0.625 0 C-N-CA 125.075 1.35 . . . . 0.0 111.929 172.733 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 42.9 mt -72.03 -43.06 65.58 Favored 'General case' 0 N--CA 1.468 0.44 0 C-N-CA 124.394 1.078 . . . . 0.0 112.311 178.673 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 18' ' ' VAL . . . . . . . . . . . . . 7.0 p -72.16 -28.93 30.65 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.888 0 CA-C-N 118.255 0.48 . . . . 0.0 111.826 177.206 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 19' ' ' CYS . . . . . . . . . . . . . 42.3 t -67.49 -39.65 85.21 Favored 'General case' 0 N--CA 1.466 0.366 0 C-N-CA 124.743 1.217 . . . . 0.0 113.646 169.184 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.532 1.11 0 CA-C-O 119.659 -0.523 . . . . 0.0 112.041 -169.583 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 8.5 tt . . . . . 0 N--CA 1.476 0.852 0 N-CA-C 114.456 1.28 . . . . 0.0 114.456 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 9.7 p -66.87 -47.12 83.53 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.038 0 O-C-N 120.695 -1.253 . . . . 0.0 112.116 -175.216 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 24.5 pt-20 -71.15 3.83 3.22 Favored 'General case' 0 CA--C 1.548 0.883 0 C-N-CA 126.157 1.783 . . . . 0.0 114.609 175.553 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 47.2 mt-30 -118.79 -35.8 3.6 Favored 'General case' 0 CA--C 1.542 0.651 0 C-N-CA 125.127 1.371 . . . . 0.0 112.404 171.926 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 55.8 m -116.09 -10.48 11.52 Favored 'General case' 0 CA--C 1.544 0.717 0 N-CA-C 114.837 1.421 . . . . 0.0 114.837 -169.379 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 43.3 t -95.93 -23.88 16.66 Favored 'General case' 0 N--CA 1.478 0.941 0 CA-C-N 118.842 0.747 . . . . 0.0 111.607 163.911 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 45.4 p -88.38 -36.36 16.62 Favored 'General case' 0 N--CA 1.475 0.796 0 C-N-CA 126.747 2.019 . . . . 0.0 112.953 179.623 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 67.9 m -127.75 175.61 8.18 Favored 'General case' 0 N--CA 1.472 0.642 0 C-N-CA 127.765 2.426 . . . . 0.0 109.747 168.962 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 44.0 mt -70.19 -45.43 75.85 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.898 0 O-C-N 120.812 -1.18 . . . . 0.0 113.732 -169.474 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 89.1 m 58.34 122.18 0.01 OUTLIER 'General case' 0 N--CA 1.477 0.9 0 C-N-CA 126.256 1.822 . . . . 0.0 114.384 -161.7 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 42.4 m -74.79 165.24 25.56 Favored 'General case' 0 N--CA 1.474 0.751 0 O-C-N 121.26 -0.9 . . . . 0.0 111.323 174.017 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -56.78 -32.99 66.19 Favored 'General case' 0 CA--C 1.543 0.679 0 N-CA-C 113.541 0.941 . . . . 0.0 113.541 176.858 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 43.9 m-85 -64.02 -34.33 77.75 Favored 'General case' 0 CA--C 1.539 0.524 0 C-N-CA 124.407 1.083 . . . . 0.0 112.674 174.828 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 46.2 mt-30 -78.46 -47.85 16.59 Favored 'General case' 0 CA--C 1.532 0.276 0 C-N-CA 124.311 1.044 . . . . 0.0 110.413 177.531 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 99.6 mt -60.37 -35.15 75.03 Favored 'General case' 0 CA--C 1.54 0.591 0 N-CA-C 113.028 0.751 . . . . 0.0 113.028 178.56 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 21.6 mt-10 -67.64 -27.41 66.85 Favored 'General case' 0 CA--C 1.542 0.662 0 N-CA-C 113.834 1.05 . . . . 0.0 113.834 173.879 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 97.0 m-20 -66.13 -28.47 68.82 Favored 'General case' 0 N--CA 1.473 0.676 0 CA-C-N 120.008 1.276 . . . . 0.0 111.955 176.152 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 87.3 m-85 -77.07 -10.88 59.67 Favored 'General case' 0 CA--C 1.545 0.783 0 C-N-CA 124.387 1.075 . . . . 0.0 113.701 174.545 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 23.1 t -72.16 -27.12 62.39 Favored 'General case' 0 CA--C 1.546 0.805 0 C-N-CA 123.747 0.819 . . . . 0.0 112.445 171.929 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 59.0 t-20 . . . . . 0 CA--C 1.543 0.695 0 C-N-CA 126.439 1.896 . . . . 0.0 113.622 178.889 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' B' B ' 1' ' ' PHE . . . . . . . . . . . . . 73.7 t80 . . . . . 0 CA--C 1.541 0.629 0 N-CA-C 112.346 0.499 . . . . 0.0 112.346 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' B' B ' 2' ' ' VAL . . . . . . . . . . . . . 59.3 t -134.41 128.82 52.21 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.758 0 C-N-CA 125.573 1.549 . . . . 0.0 108.582 173.12 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 3' ' ' ASN . . . . . . . . . . . . . 75.5 m-20 -58.29 122.05 12.26 Favored 'General case' 0 CA--C 1.539 0.52 0 C-N-CA 123.769 0.827 . . . . 0.0 112.333 -174.593 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 4' ' ' GLN . . . . . . . . . . . . . 6.2 pt20 -161.89 145.86 12.46 Favored 'General case' 0 CA--C 1.536 0.418 0 C-N-CA 126.039 1.736 . . . . 0.0 110.267 176.186 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 5' ' ' HIS . . . . . . . . . . . . . 35.6 m-70 -65.72 140.64 58.47 Favored 'General case' 0 N--CA 1.472 0.635 0 C-N-CA 123.785 0.834 . . . . 0.0 110.222 167.427 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 40.0 mt -134.69 129.17 34.36 Favored 'General case' 0 N--CA 1.469 0.516 0 C-N-CA 124.715 1.206 . . . . 0.0 111.369 -168.993 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 7' ' ' CYS . . . . . . . . . . . . . 80.0 m -138.1 148.97 45.52 Favored 'General case' 0 CA--C 1.539 0.541 0 C-N-CA 123.656 0.783 . . . . 0.0 112.145 -167.445 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 8' ' ' GLY . . . . . . . . . . . . . . . 54.16 -130.88 44.82 Favored Glycine 0 CA--C 1.536 1.348 0 C-N-CA 123.964 0.792 . . . . 0.0 113.871 173.898 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 9' ' ' SER . . . . . . . . . . . . . 12.6 t -60.5 -35.39 75.83 Favored 'General case' 0 N--CA 1.473 0.708 0 O-C-N 121.95 -0.735 . . . . 0.0 112.832 178.226 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 10' ' ' HIS . . . . . . . . . . . . . 31.3 m170 -63.96 -33.05 74.85 Favored 'General case' 0 N--CA 1.472 0.66 0 O-C-N 121.244 -0.91 . . . . 0.0 112.616 178.652 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 52.3 tp -69.07 -41.11 78.02 Favored 'General case' 0 CA--C 1.539 0.55 0 C-N-CA 124.241 1.016 . . . . 0.0 111.993 175.031 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 59.8 t -67.11 -40.93 86.37 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.781 0 C-N-CA 124.056 0.942 . . . . 0.0 111.23 176.29 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 52.2 mt-10 -66.43 -44.12 83.77 Favored 'General case' 0 N--CA 1.469 0.501 0 O-C-N 121.417 -0.802 . . . . 0.0 112.147 173.832 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -65.85 -36.03 82.31 Favored 'General case' 0 CA--C 1.538 0.486 0 N-CA-C 113.4 0.889 . . . . 0.0 113.4 -177.006 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 3.3 pp -74.47 -32.71 62.66 Favored 'General case' 0 N--CA 1.471 0.59 0 CA-C-N 119.134 0.879 . . . . 0.0 111.517 177.83 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 16' ' ' TYR . . . . . . . . . . . . . 6.6 t80 -67.17 -41.17 86.42 Favored 'General case' 0 CA--C 1.542 0.656 0 C-N-CA 124.42 1.088 . . . . 0.0 111.186 172.699 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 47.6 mt -69.94 -46.22 65.77 Favored 'General case' 0 N--CA 1.466 0.37 0 C-N-CA 124.406 1.083 . . . . 0.0 112.426 178.61 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 18' ' ' VAL . . . . . . . . . . . . . 4.8 p -70.24 -27.76 33.2 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.855 0 O-C-N 121.492 -0.755 . . . . 0.0 111.928 -177.916 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 19' ' ' CYS . . . . . . . . . . . . . 37.6 t -82.0 -48.71 11.11 Favored 'General case' 0 CA--C 1.54 0.578 0 N-CA-C 113.593 0.96 . . . . 0.0 113.593 175.564 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.534 1.273 0 N-CA-C 115.631 1.012 . . . . 0.0 115.631 -171.545 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 9.2 tt . . . . . 0 N--CA 1.479 0.988 0 N-CA-C 113.491 0.922 . . . . 0.0 113.491 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 31.4 t -62.33 138.19 22.96 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.625 0 C-N-CA 124.28 1.032 . . . . 0.0 110.222 171.994 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 44.9 mt-10 58.44 13.26 2.39 Favored 'General case' 0 N--CA 1.477 0.91 0 N-CA-C 115.701 1.741 . . . . 0.0 115.701 -168.79 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 66.1 mm-40 -104.67 -58.27 1.91 Allowed 'General case' 0 N--CA 1.473 0.688 0 C-N-CA 124.337 1.055 . . . . 0.0 110.473 163.1 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 13.9 t -79.61 -12.9 59.82 Favored 'General case' 0 CA--C 1.549 0.931 0 O-C-N 121.285 -0.884 . . . . 0.0 113.36 176.625 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 5.2 t -70.74 -14.78 62.57 Favored 'General case' 0 CA--C 1.551 1.017 0 O-C-N 120.19 -1.568 . . . . 0.0 112.902 171.341 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 6.1 t -128.66 -4.48 5.27 Favored 'General case' 0 N--CA 1.481 1.104 0 C-N-CA 125.587 1.555 . . . . 0.0 114.463 -176.511 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 90.9 p -145.43 157.52 44.0 Favored 'General case' 0 N--CA 1.472 0.63 0 C-N-CA 125.775 1.63 . . . . 0.0 111.229 173.609 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 48.3 mt -72.88 137.92 22.47 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.769 0 O-C-N 120.726 -1.233 . . . . 0.0 110.995 179.825 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 30.8 p -125.91 142.65 51.42 Favored 'General case' 0 CA--C 1.543 0.687 0 C-N-CA 124.545 1.138 . . . . 0.0 111.667 166.979 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 6.9 m -95.58 159.86 14.79 Favored 'General case' 0 N--CA 1.472 0.628 0 C-N-CA 125.685 1.594 . . . . 0.0 110.956 177.768 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 2.6 pt? -58.35 -31.38 67.55 Favored 'General case' 0 CA--C 1.544 0.735 0 O-C-N 121.09 -1.006 . . . . 0.0 113.357 177.46 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 26.8 m-85 -68.1 -25.12 65.16 Favored 'General case' 0 CA--C 1.542 0.662 0 C-N-CA 124.69 1.196 . . . . 0.0 113.363 174.685 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 44.3 mt-30 -84.54 -37.86 20.73 Favored 'General case' 0 N--CA 1.469 0.477 0 C-N-CA 124.888 1.275 . . . . 0.0 111.221 175.36 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 77.4 mt -54.32 -33.48 58.98 Favored 'General case' 0 CA--C 1.545 0.766 0 C-N-CA 124.156 0.982 . . . . 0.0 112.721 174.032 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 42.3 mt-10 -60.21 -24.82 65.13 Favored 'General case' 0 N--CA 1.473 0.692 0 N-CA-C 114.163 1.172 . . . . 0.0 114.163 175.144 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 81.8 m-20 -76.2 -20.98 56.99 Favored 'General case' 0 CA--C 1.543 0.69 0 O-C-N 121.315 -0.866 . . . . 0.0 112.633 176.623 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 96.1 m-85 -94.45 -34.87 12.56 Favored 'General case' 0 CA--C 1.539 0.521 0 C-N-CA 124.789 1.236 . . . . 0.0 113.126 -178.731 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 14.9 p -70.04 -29.89 67.02 Favored 'General case' 0 CA--C 1.542 0.671 0 N-CA-C 113.841 1.052 . . . . 0.0 113.841 -174.832 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 54.8 t-20 . . . . . 0 CA--C 1.541 0.622 0 C-N-CA 125.938 1.695 . . . . 0.0 111.444 -179.134 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' B' B ' 1' ' ' PHE . . . . . . . . . . . . . 34.2 t80 . . . . . 0 CA--C 1.54 0.567 0 N-CA-C 111.937 0.347 . . . . 0.0 111.937 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' B' B ' 2' ' ' VAL . . . . . . . . . . . . . 18.0 m -135.7 135.69 50.91 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.792 0 C-N-CA 124.947 1.299 . . . . 0.0 110.224 167.561 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 3' ' ' ASN . . . . . . . . . . . . . 11.9 m-20 -61.97 140.5 58.33 Favored 'General case' 0 N--CA 1.466 0.329 0 CA-C-O 121.634 0.731 . . . . 0.0 112.559 -178.339 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 4' ' ' GLN . . . . . . . . . . . . . 6.7 pt20 -166.33 164.66 17.55 Favored 'General case' 0 CA--C 1.537 0.453 0 C-N-CA 126.05 1.74 . . . . 0.0 109.757 179.993 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 5' ' ' HIS . . . . . . . . . . . . . 24.3 m-70 -72.04 74.37 0.91 Allowed 'General case' 0 CA--C 1.546 0.813 0 C-N-CA 125.381 1.473 . . . . 0.0 110.96 168.098 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 70.9 mt -63.2 137.2 58.14 Favored 'General case' 0 N--CA 1.472 0.658 0 C-N-CA 124.344 1.058 . . . . 0.0 111.756 -179.03 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 7' ' ' CYS . . . . . . . . . . . . . 8.4 t -148.84 159.05 44.53 Favored 'General case' 0 CA--C 1.541 0.629 0 C-N-CA 123.277 0.631 . . . . 0.0 112.681 -178.437 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 8' ' ' GLY . . . . . . . . . . . . . . . 56.73 -137.37 48.61 Favored Glycine 0 CA--C 1.532 1.144 0 C-N-CA 124.455 1.026 . . . . 0.0 113.422 176.051 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 9' ' ' SER . . . . . . . . . . . . . 20.2 m -58.53 -33.17 69.57 Favored 'General case' 0 N--CA 1.471 0.602 0 C-N-CA 123.767 0.827 . . . . 0.0 113.12 178.971 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 10' ' ' HIS . . . . . . . . . . . . . 27.9 m-70 -66.78 -37.6 84.89 Favored 'General case' 0 N--CA 1.473 0.711 0 CA-C-N 118.853 0.751 . . . . 0.0 112.021 179.104 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 48.2 tp -66.0 -43.82 86.6 Favored 'General case' 0 CA--C 1.537 0.463 0 C-N-CA 124.176 0.99 . . . . 0.0 112.085 175.468 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 92.2 t -67.71 -44.37 85.93 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.704 0 C-N-CA 123.848 0.859 . . . . 0.0 111.074 178.455 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 39.1 mt-10 -65.34 -39.73 92.75 Favored 'General case' 0 N--CA 1.468 0.459 0 O-C-N 121.61 -0.681 . . . . 0.0 112.152 176.881 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -63.67 -39.61 94.76 Favored 'General case' 0 CA--C 1.542 0.638 0 CA-C-N 119.169 0.895 . . . . 0.0 113.006 -179.358 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 3.7 pp -79.17 -31.57 43.96 Favored 'General case' 0 N--CA 1.469 0.523 0 O-C-N 121.761 -0.587 . . . . 0.0 111.908 179.163 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 16' ' ' TYR . . . . . . . . . . . . . 4.6 t80 -63.11 -39.65 95.33 Favored 'General case' 0 CA--C 1.538 0.487 0 C-N-CA 123.91 0.884 . . . . 0.0 111.556 170.146 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 36.9 mt -70.9 -51.18 27.72 Favored 'General case' 0 N--CA 1.465 0.287 0 C-N-CA 123.63 0.772 . . . . 0.0 111.9 179.961 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 18' ' ' VAL . . . . . . . . . . . . . 9.1 p -65.2 -31.89 55.86 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.798 0 N-CA-C 112.152 0.427 . . . . 0.0 112.152 -174.492 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 19' ' ' CYS . . . . . . . . . . . . . 73.8 m -92.33 -26.15 18.23 Favored 'General case' 0 CA--C 1.543 0.699 0 N-CA-C 114.115 1.154 . . . . 0.0 114.115 178.616 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.537 1.431 0 C-N-CA 124.774 1.178 . . . . 0.0 114.84 178.778 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 2' ' ' ILE . . . . . 0.422 HD11 ' CE2' ' A' ' 19' ' ' TYR . 6.0 tp . . . . . 0 N--CA 1.48 1.066 0 N-CA-C 112.886 0.699 . . . . 0.0 112.886 . . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 24.6 t -66.54 138.92 22.03 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.734 0 C-N-CA 124.163 0.985 . . . . 0.0 110.582 173.647 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 44.6 mt-10 56.2 24.17 7.81 Favored 'General case' 0 N--CA 1.477 0.883 0 C-N-CA 125.669 1.588 . . . . 0.0 114.669 -169.15 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 21.9 mm-40 -116.21 -57.9 2.16 Favored 'General case' 0 N--CA 1.471 0.588 0 C-N-CA 124.499 1.119 . . . . 0.0 110.635 162.682 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 14.7 t -79.76 -10.36 59.78 Favored 'General case' 0 CA--C 1.549 0.911 0 N-CA-C 113.789 1.033 . . . . 0.0 113.789 179.368 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 21.5 t -83.47 -7.59 59.52 Favored 'General case' 0 CA--C 1.551 0.992 0 O-C-N 120.772 -1.205 . . . . 0.0 113.136 171.703 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 8.2 t -123.59 -17.72 6.36 Favored 'General case' 0 N--CA 1.483 1.176 0 C-N-CA 124.982 1.313 . . . . 0.0 114.346 176.561 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 71.1 m -134.98 156.98 48.09 Favored 'General case' 0 N--CA 1.473 0.707 0 C-N-CA 126.259 1.824 . . . . 0.0 110.741 174.195 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 67.1 mt -69.01 141.7 17.08 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.881 0 O-C-N 120.918 -1.114 . . . . 0.0 110.631 176.457 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 19.5 p -131.66 151.71 51.41 Favored 'General case' 0 CA--C 1.542 0.654 0 C-N-CA 124.051 0.94 . . . . 0.0 112.704 168.891 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 70.5 m -107.72 166.81 10.41 Favored 'General case' 0 N--CA 1.474 0.725 0 C-N-CA 126.064 1.746 . . . . 0.0 112.753 178.835 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 92.7 mt -47.06 -45.6 21.85 Favored 'General case' 0 N--CA 1.474 0.754 0 C-N-CA 125.883 1.673 . . . . 0.0 112.078 176.96 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 39.8 m-85 -67.78 -29.65 68.89 Favored 'General case' 0 CA--C 1.538 0.505 0 C-N-CA 124.834 1.254 . . . . 0.0 112.818 -176.494 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 46.5 mt-30 -77.01 -42.26 39.38 Favored 'General case' 0 N--CA 1.464 0.235 0 C-N-CA 123.767 0.827 . . . . 0.0 110.596 176.814 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 85.6 mt -57.98 -39.91 79.38 Favored 'General case' 0 CA--C 1.542 0.642 0 C-N-CA 123.534 0.734 . . . . 0.0 112.009 174.389 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 44.1 mt-10 -61.61 -28.01 69.06 Favored 'General case' 0 N--CA 1.473 0.697 0 N-CA-C 113.702 1.001 . . . . 0.0 113.702 174.042 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 13.5 m-80 -73.1 -22.89 60.48 Favored 'General case' 0 CA--C 1.543 0.697 0 CA-C-N 119.328 0.967 . . . . 0.0 112.941 175.279 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 19' ' ' TYR . . . . . 0.422 ' CE2' HD11 ' A' ' 2' ' ' ILE . 98.5 m-85 -79.75 -34.27 40.01 Favored 'General case' 0 N--CA 1.473 0.69 0 CA-C-N 119.114 0.87 . . . . 0.0 111.983 169.784 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 85.5 m -69.38 -35.95 76.32 Favored 'General case' 0 CA--C 1.543 0.685 0 C-N-CA 123.791 0.836 . . . . 0.0 112.677 174.218 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 47.9 t30 . . . . . 0 CA--C 1.547 0.833 0 C-N-CA 127.474 2.309 . . . . 0.0 113.859 175.848 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' B' B ' 1' ' ' PHE . . . . . . . . . . . . . 21.7 t80 . . . . . 0 CA--C 1.538 0.493 0 CA-C-O 120.777 0.322 . . . . 0.0 111.865 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' B' B ' 2' ' ' VAL . . . . . . . . . . . . . 25.1 m -136.7 144.44 32.5 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.818 0 C-N-CA 125.22 1.408 . . . . 0.0 109.85 166.64 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 3' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -49.8 125.41 11.69 Favored 'General case' 0 N--CA 1.47 0.564 0 C-N-CA 123.694 0.798 . . . . 0.0 113.008 177.592 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 4' ' ' GLN . . . . . . . . . . . . . 7.2 pt20 -162.39 152.62 16.67 Favored 'General case' 0 CA--C 1.534 0.364 0 C-N-CA 125.184 1.394 . . . . 0.0 110.286 177.956 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 5' ' ' HIS . . . . . . . . . . . . . 28.5 m-70 -67.68 143.73 55.82 Favored 'General case' 0 CA--C 1.541 0.63 0 C-N-CA 124.103 0.961 . . . . 0.0 109.819 161.072 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 66.5 mt -136.65 135.93 38.7 Favored 'General case' 0 N--CA 1.471 0.61 0 C-N-CA 125.251 1.42 . . . . 0.0 110.835 -175.54 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 7' ' ' CYS . . . . . . . . . . . . . 79.6 m -136.77 152.89 50.82 Favored 'General case' 0 CA--C 1.54 0.578 0 C-N-CA 124.595 1.158 . . . . 0.0 111.89 -172.302 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 8' ' ' GLY . . . . . . . . . . . . . . . 51.89 -129.05 34.47 Favored Glycine 0 CA--C 1.536 1.356 0 C-N-CA 124.101 0.858 . . . . 0.0 114.218 170.09 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 9' ' ' SER . . . . . . . . . . . . . 8.0 t -58.83 -39.88 82.51 Favored 'General case' 0 N--CA 1.472 0.657 0 C-N-CA 123.465 0.706 . . . . 0.0 112.425 178.493 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 10' ' ' HIS . . . . . . . . . . . . . 32.5 m170 -61.17 -35.51 77.33 Favored 'General case' 0 N--CA 1.473 0.713 0 O-C-N 121.4 -0.813 . . . . 0.0 112.529 178.944 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 40.3 tp -70.71 -43.45 68.96 Favored 'General case' 0 CA--C 1.537 0.454 0 C-N-CA 124.004 0.922 . . . . 0.0 112.243 176.857 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 85.0 t -65.19 -43.65 95.44 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.727 0 C-N-CA 123.695 0.798 . . . . 0.0 110.874 176.018 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 33.4 mt-10 -64.35 -41.72 96.6 Favored 'General case' 0 N--CA 1.47 0.535 0 C-N-CA 124.309 1.044 . . . . 0.0 112.055 177.856 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -62.79 -39.84 95.49 Favored 'General case' 0 CA--C 1.541 0.617 0 O-C-N 121.559 -0.713 . . . . 0.0 112.76 179.199 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 3.9 pp -79.63 -34.33 40.64 Favored 'General case' 0 N--CA 1.468 0.463 0 CA-C-N 118.267 0.485 . . . . 0.0 111.602 179.08 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 16' ' ' TYR . . . . . . . . . . . . . 4.8 t80 -58.56 -39.01 79.05 Favored 'General case' 0 CA--C 1.54 0.578 0 C-N-CA 123.999 0.92 . . . . 0.0 111.966 171.428 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 36.5 mt -70.85 -50.08 39.18 Favored 'General case' 0 N--CA 1.465 0.319 0 C-N-CA 123.33 0.652 . . . . 0.0 112.3 -178.819 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 18' ' ' VAL . . . . . . . . . . . . . 10.5 p -71.39 -32.99 48.48 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.66 0 C-N-CA 123.254 0.621 . . . . 0.0 112.507 -176.156 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 19' ' ' CYS . . . . . . . . . . . . . 81.6 m -90.77 -26.26 19.56 Favored 'General case' 0 CA--C 1.543 0.69 0 N-CA-C 113.346 0.869 . . . . 0.0 113.346 -178.53 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.537 1.42 0 C-N-CA 125.281 1.419 . . . . 0.0 114.876 174.668 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 10.2 tt . . . . . 0 N--CA 1.477 0.911 0 N-CA-C 115.268 1.581 . . . . 0.0 115.268 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 7.1 p -71.04 -39.82 75.14 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.958 0 CA-C-N 119.092 0.86 . . . . 0.0 112.67 -174.953 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 47.3 mt-10 -76.83 -6.7 53.4 Favored 'General case' 0 N--CA 1.474 0.758 0 N-CA-C 113.734 1.012 . . . . 0.0 113.734 176.174 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 40.7 mt-30 -90.24 -57.31 2.89 Favored 'General case' 0 CA--C 1.538 0.486 0 C-N-CA 124.492 1.117 . . . . 0.0 110.527 164.013 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 76.4 m -110.54 36.1 3.22 Favored 'General case' 0 CA--C 1.545 0.771 0 N-CA-C 114.66 1.355 . . . . 0.0 114.66 -168.22 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 45.0 t -110.82 -18.36 13.13 Favored 'General case' 0 CA--C 1.552 1.049 0 O-C-N 121.323 -0.861 . . . . 0.0 112.904 146.085 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 6.2 t -114.4 -21.68 10.25 Favored 'General case' 0 N--CA 1.483 1.206 0 N-CA-C 114.837 1.421 . . . . 0.0 114.837 -171.242 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 58.2 m -131.11 162.16 30.5 Favored 'General case' 0 N--CA 1.475 0.788 0 C-N-CA 125.652 1.581 . . . . 0.0 111.69 175.832 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 14.0 mt -61.56 130.0 25.2 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.711 0 C-N-CA 123.759 0.823 . . . . 0.0 111.268 176.061 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -90.74 165.65 13.56 Favored 'General case' 0 CA--C 1.539 0.522 0 C-N-CA 124.98 1.312 . . . . 0.0 111.506 173.365 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 76.5 p -126.15 162.42 25.42 Favored 'General case' 0 N--CA 1.469 0.503 0 C-N-CA 124.331 1.053 . . . . 0.0 111.839 168.077 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 1.7 pt? -53.63 -32.42 51.27 Favored 'General case' 0 CA--C 1.534 0.332 0 C-N-CA 123.071 0.548 . . . . 0.0 112.423 165.476 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 28.2 m-85 -69.5 -39.55 77.53 Favored 'General case' 0 CA--C 1.537 0.453 0 C-N-CA 122.943 0.497 . . . . 0.0 111.522 178.639 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 40.5 mt-30 -67.2 -45.29 77.31 Favored 'General case' 0 N--CA 1.47 0.538 0 O-C-N 121.361 -0.837 . . . . 0.0 110.873 173.995 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 74.8 mt -60.74 -36.97 80.21 Favored 'General case' 0 CA--C 1.543 0.7 0 C-N-CA 123.762 0.825 . . . . 0.0 112.278 177.418 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 30.5 mt-10 -65.68 -37.46 86.57 Favored 'General case' 0 CA--C 1.543 0.694 0 C-N-CA 124.219 1.008 . . . . 0.0 112.656 173.054 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 20.6 m-80 -66.08 -36.4 83.09 Favored 'General case' 0 CA--C 1.54 0.587 0 O-C-N 121.233 -0.917 . . . . 0.0 111.995 172.452 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 20.8 m-85 -72.73 -40.21 66.27 Favored 'General case' 0 CA--C 1.538 0.481 0 N-CA-C 112.807 0.669 . . . . 0.0 112.807 179.473 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 13.6 p -74.21 -38.28 63.63 Favored 'General case' 0 CA--C 1.543 0.68 0 N-CA-C 112.789 0.662 . . . . 0.0 112.789 -177.343 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 49.6 t30 . . . . . 0 CA--C 1.549 0.915 0 C-N-CA 127.34 2.256 . . . . 0.0 113.504 178.468 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' B' B ' 1' ' ' PHE . . . . . . . . . . . . . 64.5 t80 . . . . . 0 CA--C 1.541 0.632 0 N-CA-C 112.368 0.507 . . . . 0.0 112.368 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' B' B ' 2' ' ' VAL . . . . . . . . . . . . . 21.1 m -134.83 139.24 47.86 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.741 0 C-N-CA 125.137 1.375 . . . . 0.0 110.383 167.411 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 3' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -51.06 130.45 25.89 Favored 'General case' 0 N--CA 1.47 0.561 0 C-N-CA 124.326 1.051 . . . . 0.0 113.783 -179.628 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 4' ' ' GLN . . . . . . . . . . . . . 8.3 pt20 -162.41 151.08 14.87 Favored 'General case' 0 CA--C 1.537 0.473 0 C-N-CA 125.298 1.439 . . . . 0.0 110.991 178.637 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 5' ' ' HIS . . . . . . . . . . . . . 48.6 m-70 -66.17 -38.7 88.7 Favored 'General case' 0 N--CA 1.476 0.872 0 N-CA-C 114.807 1.41 . . . . 0.0 114.807 -178.372 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 41.0 mt 56.29 179.62 0.04 OUTLIER 'General case' 0 CA--C 1.553 1.068 0 C-N-CA 126.028 1.731 . . . . 0.0 112.662 -167.009 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 7' ' ' CYS . . . . . . . . . . . . . 12.9 t -162.53 -179.63 7.06 Favored 'General case' 0 CA--C 1.549 0.908 0 C-N-CA 126.401 1.881 . . . . 0.0 109.189 160.851 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 8' ' ' GLY . . . . . . . . . . . . . . . -48.61 147.5 5.14 Favored Glycine 0 CA--C 1.531 1.055 0 C-N-CA 125.149 1.357 . . . . 0.0 116.222 -177.204 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 9' ' ' SER . . . . . . . . . . . . . 52.8 p 59.03 -35.86 0.06 Allowed 'General case' 0 N--CA 1.479 0.986 0 C-N-CA 128.853 2.861 . . . . 0.0 115.464 -165.803 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 10' ' ' HIS . . . . . . . . . . . . . 26.9 m-70 -73.5 -36.88 65.82 Favored 'General case' 0 N--CA 1.479 0.987 0 O-C-N 121.223 -0.923 . . . . 0.0 110.921 174.387 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 48.3 tp -63.72 -34.62 78.28 Favored 'General case' 0 CA--C 1.542 0.64 0 C-N-CA 127.769 2.428 . . . . 0.0 112.459 171.525 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 40.9 t -72.43 -38.61 61.01 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.859 0 C-N-CA 124.021 0.928 . . . . 0.0 110.843 175.574 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 43.4 mt-10 -66.53 -40.55 89.17 Favored 'General case' 0 CA--C 1.539 0.553 0 O-C-N 121.317 -0.864 . . . . 0.0 112.022 170.226 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -61.19 -40.67 94.81 Favored 'General case' 0 CA--C 1.542 0.656 0 O-C-N 121.281 -0.887 . . . . 0.0 113.011 -179.627 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 3.9 pp -75.4 -34.5 61.08 Favored 'General case' 0 N--CA 1.47 0.544 0 O-C-N 121.709 -0.62 . . . . 0.0 112.064 177.795 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 16' ' ' TYR . . . . . . . . . . . . . 1.0 OUTLIER -61.96 -40.51 95.83 Favored 'General case' 0 CA--C 1.54 0.571 0 C-N-CA 123.414 0.686 . . . . 0.0 111.414 171.792 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 38.2 mt -70.31 -46.17 64.77 Favored 'General case' 0 CA--C 1.533 0.294 0 C-N-CA 123.874 0.87 . . . . 0.0 112.587 -178.445 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 18' ' ' VAL . . . . . . . . . . . . . 9.7 p -74.59 -27.37 20.87 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.745 0 N-CA-C 112.865 0.691 . . . . 0.0 112.865 -175.423 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 19' ' ' CYS . . . . . . . . . . . . . 78.8 m -99.29 -27.13 13.92 Favored 'General case' 0 CA--C 1.541 0.605 0 N-CA-C 114.651 1.352 . . . . 0.0 114.651 -179.807 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.538 1.497 0 C-N-CA 124.888 1.233 . . . . 0.0 114.724 -170.197 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 15.9 tt . . . . . 0 N--CA 1.479 0.988 0 N-CA-C 112.875 0.695 . . . . 0.0 112.875 . . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 42.4 t -67.25 146.78 12.92 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.7 0 C-N-CA 124.299 1.04 . . . . 0.0 109.727 164.097 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 43.9 mt-10 61.37 7.15 1.62 Allowed 'General case' 0 N--CA 1.482 1.134 0 C-N-CA 125.91 1.684 . . . . 0.0 115.478 -164.986 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 1.7 mp0 -113.74 -42.93 3.35 Favored 'General case' 0 N--CA 1.475 0.784 0 C-N-CA 125.365 1.466 . . . . 0.0 112.293 167.817 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 75.7 m -98.92 -24.9 14.78 Favored 'General case' 0 N--CA 1.476 0.845 0 N-CA-C 113.64 0.978 . . . . 0.0 113.64 177.256 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 65.3 m -71.05 -5.67 33.13 Favored 'General case' 0 CA--C 1.55 0.95 0 O-C-N 121.128 -0.982 . . . . 0.0 113.007 173.682 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 45.3 p -133.05 -26.54 1.71 Allowed 'General case' 0 N--CA 1.476 0.856 0 C-N-CA 126.693 1.997 . . . . 0.0 113.351 -160.787 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 66.0 m -139.3 156.71 46.85 Favored 'General case' 0 N--CA 1.47 0.566 0 C-N-CA 127.769 2.428 . . . . 0.0 109.409 170.789 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 11.7 mt -64.05 140.54 19.51 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.791 0 O-C-N 121.15 -0.969 . . . . 0.0 111.297 179.751 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 61.8 m -121.16 104.76 10.0 Favored 'General case' 0 CA--C 1.538 0.509 0 C-N-CA 124.771 1.229 . . . . 0.0 111.413 172.885 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 49.6 m -75.36 169.52 17.9 Favored 'General case' 0 N--CA 1.473 0.703 0 C-N-CA 125.507 1.523 . . . . 0.0 111.891 171.698 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 88.8 mt -46.59 -46.06 19.33 Favored 'General case' 0 N--CA 1.474 0.74 0 C-N-CA 124.563 1.145 . . . . 0.0 111.589 173.989 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 54.9 m-85 -67.39 -21.35 65.6 Favored 'General case' 0 CA--C 1.541 0.623 0 C-N-CA 125.19 1.396 . . . . 0.0 114.183 -176.985 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 42.9 mt-30 -87.73 -46.95 9.03 Favored 'General case' 0 N--CA 1.469 0.512 0 C-N-CA 125.277 1.431 . . . . 0.0 110.524 173.617 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 96.2 mt -60.16 -29.68 68.82 Favored 'General case' 0 CA--C 1.546 0.809 0 C-N-CA 124.792 1.237 . . . . 0.0 113.08 176.605 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 26.1 mt-10 -54.87 -31.89 60.17 Favored 'General case' 0 N--CA 1.474 0.754 0 C-N-CA 125.0 1.32 . . . . 0.0 114.024 171.559 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 51.4 m-80 -69.6 -30.89 68.75 Favored 'General case' 0 N--CA 1.472 0.672 0 CA-C-N 119.487 1.039 . . . . 0.0 111.944 178.547 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 74.8 m-85 -81.46 -25.9 35.7 Favored 'General case' 0 CA--C 1.541 0.612 0 C-N-CA 124.01 0.924 . . . . 0.0 112.559 175.537 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 39.0 t -67.72 -45.68 74.37 Favored 'General case' 0 CA--C 1.543 0.702 0 C-N-CA 123.874 0.87 . . . . 0.0 111.733 166.414 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 50.7 t-20 . . . . . 0 CA--C 1.542 0.639 0 C-N-CA 125.262 1.425 . . . . 0.0 111.409 178.903 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' B' B ' 1' ' ' PHE . . . . . . . . . . . . . 36.1 t80 . . . . . 0 CA--C 1.54 0.559 0 CA-C-O 121.125 0.488 . . . . 0.0 112.263 . . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' B' B ' 2' ' ' VAL . . . . . . . . . . . . . 59.8 t -132.95 123.02 47.6 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.659 0 C-N-CA 125.854 1.661 . . . . 0.0 107.286 165.787 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 3' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -67.68 153.7 43.13 Favored 'General case' 0 CA--C 1.539 0.544 0 N-CA-C 114.761 1.393 . . . . 0.0 114.761 -172.303 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 4' ' ' GLN . . . . . . . . . . . . . 10.3 pt20 -154.44 -157.56 0.77 Allowed 'General case' 0 CA--C 1.542 0.649 0 C-N-CA 128.806 2.842 . . . . 0.0 106.102 166.83 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 5' ' ' HIS . . . . . . . . . . . . . 22.1 m-70 -81.48 74.56 8.47 Favored 'General case' 0 C--N 1.32 -0.679 0 C-N-CA 125.686 1.595 . . . . 0.0 110.679 175.743 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -65.87 139.31 58.28 Favored 'General case' 0 N--CA 1.472 0.666 0 O-C-N 121.61 -0.681 . . . . 0.0 112.085 -172.017 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 7' ' ' CYS . . . . . . . . . . . . . 2.5 t -147.34 152.05 37.57 Favored 'General case' 0 CA--C 1.54 0.596 0 C-N-CA 123.596 0.758 . . . . 0.0 111.771 177.534 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 8' ' ' GLY . . . . . . . . . . . . . . . 55.11 -129.51 45.9 Favored Glycine 0 CA--C 1.535 1.296 0 C-N-CA 123.925 0.774 . . . . 0.0 113.339 -179.388 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 9' ' ' SER . . . . . . . . . . . . . 18.4 m -56.93 -37.49 71.56 Favored 'General case' 0 N--CA 1.472 0.643 0 C-N-CA 124.759 1.224 . . . . 0.0 113.419 178.49 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 10' ' ' HIS . . . . . . . . . . . . . 28.0 m80 -66.55 -30.34 70.62 Favored 'General case' 0 N--CA 1.471 0.589 0 O-C-N 121.121 -0.987 . . . . 0.0 112.136 177.111 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -72.23 -50.59 26.17 Favored 'General case' 0 CA--C 1.536 0.404 0 C-N-CA 124.331 1.052 . . . . 0.0 111.201 174.631 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 1.3 p -67.06 -36.81 77.99 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.647 0 N-CA-C 112.187 0.44 . . . . 0.0 112.187 -175.011 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 40.9 mt-10 -68.75 -40.84 79.59 Favored 'General case' 0 CA--C 1.538 0.515 0 O-C-N 121.603 -0.686 . . . . 0.0 112.289 173.546 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -64.71 -38.72 91.95 Favored 'General case' 0 CA--C 1.54 0.594 0 O-C-N 121.267 -0.896 . . . . 0.0 112.719 179.044 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 2.1 pp -76.17 -34.25 59.35 Favored 'General case' 0 N--CA 1.469 0.479 0 O-C-N 121.734 -0.604 . . . . 0.0 111.237 177.455 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 16' ' ' TYR . . . . . . . . . . . . . 2.2 t80 -60.14 -39.4 86.17 Favored 'General case' 0 CA--C 1.54 0.585 0 C-N-CA 123.656 0.782 . . . . 0.0 111.926 172.399 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 34.1 mt -67.05 -47.2 72.07 Favored 'General case' 0 N--CA 1.465 0.32 0 C-N-CA 123.356 0.662 . . . . 0.0 111.447 -178.038 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 18' ' ' VAL . . . . . . . . . . . . . 7.9 p -72.88 -31.63 36.83 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.605 0 N-CA-C 112.672 0.619 . . . . 0.0 112.672 178.79 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 19' ' ' CYS . . . . . . . . . . . . . 4.2 t -76.51 -25.77 54.53 Favored 'General case' 0 CA--C 1.544 0.734 0 O-C-N 121.647 -0.658 . . . . 0.0 112.687 177.809 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.541 1.682 0 C-N-CA 124.93 1.252 . . . . 0.0 114.358 165.108 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 15.2 tt . . . . . 0 N--CA 1.476 0.869 0 N-CA-C 114.145 1.165 . . . . 0.0 114.145 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 8.3 p -62.6 -44.94 99.83 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.955 0 O-C-N 121.422 -0.799 . . . . 0.0 112.485 -168.419 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 12.3 pt-20 -69.38 -17.59 63.69 Favored 'General case' 0 CA--C 1.548 0.873 0 N-CA-C 113.776 1.028 . . . . 0.0 113.776 176.357 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -88.86 -29.0 19.99 Favored 'General case' 0 N--CA 1.47 0.543 0 C-N-CA 125.181 1.393 . . . . 0.0 113.002 176.828 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 95.0 m -113.65 -30.55 6.77 Favored 'General case' 0 CA--C 1.543 0.688 0 N-CA-C 114.726 1.38 . . . . 0.0 114.726 -172.819 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 14.9 t -82.61 -27.78 31.23 Favored 'General case' 0 N--CA 1.474 0.759 0 CA-C-N 119.663 1.119 . . . . 0.0 113.182 -169.291 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 6.6 t -109.25 -14.6 14.45 Favored 'General case' 0 N--CA 1.48 1.065 0 C-N-CA 125.404 1.482 . . . . 0.0 113.874 -177.679 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 61.3 p -149.78 165.52 32.22 Favored 'General case' 0 N--CA 1.471 0.579 0 C-N-CA 126.173 1.789 . . . . 0.0 111.385 179.54 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 35.7 mt -66.69 137.65 24.44 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.819 0 O-C-N 121.357 -0.839 . . . . 0.0 111.401 -178.061 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 14.6 p -130.58 156.89 44.09 Favored 'General case' 0 CA--C 1.542 0.653 0 C-N-CA 124.327 1.051 . . . . 0.0 112.345 169.881 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 66.1 m -118.84 164.86 14.78 Favored 'General case' 0 N--CA 1.475 0.814 0 C-N-CA 124.664 1.186 . . . . 0.0 113.912 -164.231 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 81.1 mt -51.31 -40.29 58.69 Favored 'General case' 0 N--CA 1.474 0.765 0 C-N-CA 125.752 1.621 . . . . 0.0 112.709 -178.78 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 53.5 m-85 -63.1 -31.32 72.44 Favored 'General case' 0 CA--C 1.54 0.587 0 C-N-CA 124.235 1.014 . . . . 0.0 112.994 179.961 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 39.8 mt-30 -80.36 -43.57 20.89 Favored 'General case' 0 N--CA 1.468 0.451 0 C-N-CA 124.5 1.12 . . . . 0.0 110.422 174.585 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 67.6 mt -60.42 -35.88 76.84 Favored 'General case' 0 CA--C 1.544 0.726 0 C-N-CA 124.415 1.086 . . . . 0.0 112.808 179.553 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 42.0 mt-10 -63.6 -41.42 98.33 Favored 'General case' 0 N--CA 1.474 0.768 0 O-C-N 121.283 -0.886 . . . . 0.0 112.644 169.607 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 85.8 m-20 -68.09 -32.75 73.29 Favored 'General case' 0 CA--C 1.542 0.668 0 O-C-N 121.583 -0.698 . . . . 0.0 112.189 179.637 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 25.6 m-85 -70.97 -29.44 65.44 Favored 'General case' 0 N--CA 1.47 0.571 0 N-CA-C 112.825 0.676 . . . . 0.0 112.825 173.057 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 35.2 t -72.35 -43.86 63.45 Favored 'General case' 0 CA--C 1.545 0.76 0 O-C-N 121.669 -0.645 . . . . 0.0 111.872 171.368 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 50.6 t-20 . . . . . 0 CA--C 1.542 0.641 0 C-N-CA 125.153 1.381 . . . . 0.0 111.473 179.556 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' B' B ' 1' ' ' PHE . . . . . . . . . . . . . 33.3 t80 . . . . . 0 CA--C 1.539 0.528 0 N-CA-C 112.013 0.375 . . . . 0.0 112.013 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' B' B ' 2' ' ' VAL . . . . . . . . . . . . . 17.3 m -135.03 139.23 47.64 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.771 0 C-N-CA 125.309 1.444 . . . . 0.0 109.326 163.524 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 3' ' ' ASN . . . . . . . . . . . . . 40.8 p30 -63.97 150.1 45.88 Favored 'General case' 0 CA--C 1.533 0.296 0 CA-C-O 123.144 1.45 . . . . 0.0 113.267 176.274 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 4' ' ' GLN . . . . . . . . . . . . . 7.4 pt20 -167.52 166.79 14.04 Favored 'General case' 0 N--CA 1.444 -0.739 0 C-N-CA 127.521 2.328 . . . . 0.0 108.005 -170.742 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 5' ' ' HIS . . . . . . . . . . . . . 12.9 m-70 -63.38 132.27 50.95 Favored 'General case' 0 C--N 1.321 -0.666 0 C-N-CA 125.572 1.549 . . . . 0.0 109.257 164.19 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 63.5 mt -138.02 128.34 26.16 Favored 'General case' 0 N--CA 1.467 0.422 0 C-N-CA 125.309 1.444 . . . . 0.0 110.787 -172.023 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 7' ' ' CYS . . . . . . . . . . . . . 1.8 t -152.61 160.76 43.18 Favored 'General case' 0 CA--C 1.542 0.635 0 C-N-CA 123.319 0.648 . . . . 0.0 112.166 -179.196 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 8' ' ' GLY . . . . . . . . . . . . . . . 58.72 -135.82 51.64 Favored Glycine 0 CA--C 1.536 1.369 0 C-N-CA 123.704 0.669 . . . . 0.0 113.09 -179.416 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 9' ' ' SER . . . . . . . . . . . . . 9.6 t -59.74 -37.78 79.9 Favored 'General case' 0 N--CA 1.474 0.728 0 O-C-N 121.965 -0.727 . . . . 0.0 112.424 177.984 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 10' ' ' HIS . . . . . . . . . . . . . 33.5 m80 -60.57 -36.18 77.88 Favored 'General case' 0 N--CA 1.473 0.712 0 O-C-N 121.513 -0.742 . . . . 0.0 112.631 179.47 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 47.2 tp -67.46 -42.33 83.21 Favored 'General case' 0 CA--C 1.536 0.426 0 C-N-CA 124.186 0.995 . . . . 0.0 112.507 175.947 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 68.8 t -67.61 -42.91 87.14 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.672 0 C-N-CA 123.803 0.841 . . . . 0.0 110.732 176.428 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 33.5 mt-10 -64.31 -42.01 96.56 Favored 'General case' 0 CA--C 1.537 0.478 0 C-N-CA 124.311 1.044 . . . . 0.0 111.995 177.021 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -63.62 -38.71 92.14 Favored 'General case' 0 CA--C 1.539 0.541 0 O-C-N 121.402 -0.811 . . . . 0.0 113.169 -179.92 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 3.9 pp -78.89 -31.85 45.58 Favored 'General case' 0 N--CA 1.47 0.531 0 CA-C-N 118.559 0.618 . . . . 0.0 111.945 177.151 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 16' ' ' TYR . . . . . . . . . . . . . 3.0 t80 -62.82 -40.1 96.37 Favored 'General case' 0 CA--C 1.539 0.549 0 C-N-CA 123.796 0.838 . . . . 0.0 111.861 171.454 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 30.0 mt -68.86 -45.68 70.44 Favored 'General case' 0 N--CA 1.467 0.4 0 C-N-CA 123.715 0.806 . . . . 0.0 111.846 -176.899 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 18' ' ' VAL . . . . . . . . . . . . . 10.6 p -73.26 -33.78 42.23 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.609 0 C-N-CA 122.932 0.493 . . . . 0.0 112.258 -179.926 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 19' ' ' CYS . . . . . . . . . . . . . 9.2 t -81.11 -31.63 34.19 Favored 'General case' 0 CA--C 1.541 0.629 0 N-CA-C 112.814 0.672 . . . . 0.0 112.814 -178.436 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.536 1.384 0 C-N-CA 125.222 1.392 . . . . 0.0 115.167 175.218 . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 6.2 tp . . . . . 0 N--CA 1.479 1.008 0 N-CA-C 114.465 1.283 . . . . 0.0 114.465 . . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 8.3 t -71.14 -54.52 17.23 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.01 0 O-C-N 121.169 -0.957 . . . . 0.0 111.279 -176.444 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 24.3 pt-20 -68.42 -9.39 48.15 Favored 'General case' 0 CA--C 1.542 0.665 0 C-N-CA 125.203 1.401 . . . . 0.0 113.992 -179.353 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 42.2 mt-30 -98.42 -42.62 7.26 Favored 'General case' 0 CA--C 1.54 0.562 0 C-N-CA 124.776 1.23 . . . . 0.0 112.304 172.696 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 78.2 m -99.32 -11.51 21.17 Favored 'General case' 0 CA--C 1.544 0.729 0 N-CA-C 115.97 1.841 . . . . 0.0 115.97 -175.47 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 43.2 t -90.68 -25.1 20.24 Favored 'General case' 0 N--CA 1.477 0.916 0 CA-C-N 119.835 1.198 . . . . 0.0 112.635 175.477 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 12.0 t -80.5 -31.5 37.18 Favored 'General case' 0 N--CA 1.478 0.933 0 C-N-CA 124.532 1.133 . . . . 0.0 113.317 177.69 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 84.0 p -153.04 168.89 24.35 Favored 'General case' 0 N--CA 1.473 0.681 0 C-N-CA 125.691 1.596 . . . . 0.0 111.63 177.365 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 55.4 mt -58.32 139.39 18.06 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.823 0 C-N-CA 124.344 1.057 . . . . 0.0 111.951 -177.974 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 22.8 m -112.85 135.25 53.82 Favored 'General case' 0 CA--C 1.536 0.422 0 C-N-CA 124.331 1.052 . . . . 0.0 111.477 164.769 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 48.5 m -86.23 165.65 16.33 Favored 'General case' 0 N--CA 1.468 0.462 0 C-N-CA 125.199 1.399 . . . . 0.0 112.433 175.181 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 6.9 mp -47.29 -51.39 19.27 Favored 'General case' 0 N--CA 1.473 0.691 0 C-N-CA 124.812 1.245 . . . . 0.0 111.012 170.188 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 35.2 m-85 -60.57 -20.66 61.1 Favored 'General case' 0 CA--C 1.541 0.606 0 C-N-CA 127.018 2.127 . . . . 0.0 114.452 -179.258 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 44.8 mt-30 -89.75 -50.2 6.2 Favored 'General case' 0 N--CA 1.468 0.461 0 C-N-CA 125.269 1.427 . . . . 0.0 111.001 174.336 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 94.5 mt -59.67 -33.68 71.87 Favored 'General case' 0 CA--C 1.541 0.601 0 C-N-CA 124.33 1.052 . . . . 0.0 112.954 -179.442 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 35.8 mt-10 -62.0 -21.25 64.7 Favored 'General case' 0 CA--C 1.544 0.745 0 N-CA-C 114.597 1.332 . . . . 0.0 114.597 177.799 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 52.9 m-80 -72.33 -39.63 68.02 Favored 'General case' 0 N--CA 1.475 0.782 0 CA-C-N 119.674 1.125 . . . . 0.0 111.718 175.63 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 79.7 m-85 -67.91 -23.13 65.06 Favored 'General case' 0 CA--C 1.541 0.632 0 C-N-CA 124.594 1.158 . . . . 0.0 112.513 178.389 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 73.1 m -73.77 0.56 12.7 Favored 'General case' 0 CA--C 1.545 0.756 0 C-N-CA 125.728 1.611 . . . . 0.0 114.731 172.227 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 60.1 t30 . . . . . 0 CA--C 1.539 0.526 0 C-N-CA 126.239 1.815 . . . . 0.0 113.717 165.314 . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' B' B ' 1' ' ' PHE . . . . . . . . . . . . . 74.3 t80 . . . . . 0 CA--C 1.54 0.591 0 N-CA-C 112.694 0.627 . . . . 0.0 112.694 . . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' B' B ' 2' ' ' VAL . . . . . . . . . . . . . 17.5 m -132.97 139.99 48.3 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.697 0 C-N-CA 125.58 1.552 . . . . 0.0 109.693 165.055 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 3' ' ' ASN . . . . . . . . . . . . . 5.9 m-20 -48.16 139.54 8.24 Favored 'General case' 0 CA--C 1.54 0.562 0 N-CA-C 114.1 1.148 . . . . 0.0 114.1 -173.165 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 4' ' ' GLN . . . . . . . . . . . . . 6.5 pt20 -168.63 166.32 11.89 Favored 'General case' 0 CA--C 1.539 0.55 0 C-N-CA 126.364 1.865 . . . . 0.0 109.772 176.611 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 5' ' ' HIS . . . . . . . . . . . . . 21.6 m-70 -70.93 140.47 50.97 Favored 'General case' 0 N--CA 1.472 0.66 0 C-N-CA 124.802 1.241 . . . . 0.0 109.787 162.736 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 75.8 mt -140.53 125.47 18.33 Favored 'General case' 0 N--CA 1.47 0.549 0 C-N-CA 124.232 1.013 . . . . 0.0 112.673 -167.198 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 7' ' ' CYS . . . . . . . . . . . . . 87.2 m -131.99 -93.64 0.37 Allowed 'General case' 0 CA--C 1.546 0.815 0 N-CA-C 114.023 1.12 . . . . 0.0 114.023 -167.575 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 8' ' ' GLY . . . . . . . . . . . . . . . -100.74 118.01 6.05 Favored Glycine 0 N--CA 1.471 0.991 0 C-N-CA 124.654 1.121 . . . . 0.0 112.898 -173.143 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 9' ' ' SER . . . . . . . . . . . . . 69.9 m 57.27 -35.13 0.04 OUTLIER 'General case' 0 N--CA 1.478 0.949 0 C-N-CA 129.515 3.126 . . . . 0.0 115.646 -170.815 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 10' ' ' HIS . . . . . . . . . . . . . 35.2 m170 -55.72 -39.96 71.79 Favored 'General case' 0 N--CA 1.47 0.555 0 C-N-CA 125.804 1.642 . . . . 0.0 111.511 174.335 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 63.5 tp -62.21 -37.7 86.34 Favored 'General case' 0 CA--C 1.538 0.485 0 C-N-CA 126.158 1.783 . . . . 0.0 113.545 177.179 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 41.0 t -75.78 -42.57 40.42 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.67 0 C-N-CA 123.644 0.777 . . . . 0.0 110.356 176.616 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 50.2 mt-10 -61.72 -41.95 98.3 Favored 'General case' 0 CA--C 1.537 0.449 0 C-N-CA 123.388 0.675 . . . . 0.0 112.1 175.804 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -62.65 -42.63 99.71 Favored 'General case' 0 CA--C 1.538 0.498 0 O-C-N 121.424 -0.797 . . . . 0.0 113.063 -179.165 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 4.1 pp -76.22 -32.29 58.87 Favored 'General case' 0 CA--C 1.538 0.492 0 O-C-N 122.173 -0.329 . . . . 0.0 111.47 178.773 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 16' ' ' TYR . . . . . . . . . . . . . 1.2 t80 -61.14 -43.92 98.13 Favored 'General case' 0 CA--C 1.538 0.518 0 O-C-N 121.216 -0.928 . . . . 0.0 111.552 169.346 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 29.6 mt -67.89 -42.81 80.65 Favored 'General case' 0 CA--C 1.533 0.321 0 C-N-CA 123.681 0.792 . . . . 0.0 112.366 -175.574 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 18' ' ' VAL . . . . . . . . . . . . . 9.3 p -75.56 -28.02 19.48 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.633 0 N-CA-C 112.671 0.619 . . . . 0.0 112.671 -179.017 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 19' ' ' CYS . . . . . . . . . . . . . 71.3 m -99.0 -22.18 15.86 Favored 'General case' 0 CA--C 1.542 0.65 0 N-CA-C 115.111 1.523 . . . . 0.0 115.111 -177.74 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.537 1.455 0 C-N-CA 125.292 1.425 . . . . 0.0 115.112 -178.498 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 8.7 tt . . . . . 0 N--CA 1.479 0.993 0 N-CA-C 112.892 0.701 . . . . 0.0 112.892 . . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 33.8 t -68.74 136.49 26.28 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.555 0 C-N-CA 123.605 0.762 . . . . 0.0 109.825 172.487 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 42.7 mt-10 58.74 15.11 3.54 Favored 'General case' 0 CA--C 1.549 0.938 0 C-N-CA 125.786 1.634 . . . . 0.0 115.3 -166.396 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 49.3 tp60 -90.11 -73.47 0.52 Allowed 'General case' 0 N--CA 1.471 0.594 0 O-C-N 121.202 -0.936 . . . . 0.0 109.193 155.103 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 2.7 t -85.42 -10.52 56.1 Favored 'General case' 0 CA--C 1.543 0.702 0 N-CA-C 114.418 1.266 . . . . 0.0 114.418 -163.61 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 8.0 t -76.05 -13.95 60.21 Favored 'General case' 0 CA--C 1.55 0.957 0 O-C-N 121.418 -0.801 . . . . 0.0 112.674 173.304 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 13.9 t -128.2 -18.12 4.16 Favored 'General case' 0 N--CA 1.48 1.038 0 C-N-CA 125.671 1.588 . . . . 0.0 113.929 -177.227 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 94.1 p -135.76 168.12 19.88 Favored 'General case' 0 N--CA 1.473 0.68 0 C-N-CA 125.9 1.68 . . . . 0.0 111.818 177.51 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 35.4 mt -77.84 137.68 21.77 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.614 0 O-C-N 121.184 -0.947 . . . . 0.0 110.493 173.458 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 29.1 p -119.09 159.95 22.97 Favored 'General case' 0 CA--C 1.543 0.711 0 C-N-CA 124.889 1.276 . . . . 0.0 112.477 171.979 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 20.5 m -119.59 160.24 22.83 Favored 'General case' 0 N--CA 1.473 0.685 0 C-N-CA 126.055 1.742 . . . . 0.0 111.391 -176.516 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 2.3 pt? -53.67 -35.77 61.4 Favored 'General case' 0 CA--C 1.542 0.664 0 N-CA-C 113.341 0.867 . . . . 0.0 113.341 171.265 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 32.9 m-85 -61.54 -16.83 51.34 Favored 'General case' 0 N--CA 1.472 0.629 0 C-N-CA 125.663 1.585 . . . . 0.0 114.178 175.719 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 6.9 mm-40 -102.67 -49.35 3.85 Favored 'General case' 0 CA--C 1.536 0.434 0 C-N-CA 125.104 1.361 . . . . 0.0 111.653 170.205 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 88.7 mt -60.93 -32.76 72.25 Favored 'General case' 0 N--CA 1.47 0.544 0 N-CA-C 114.474 1.287 . . . . 0.0 114.474 -175.041 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 38.4 mt-10 -66.39 -23.71 66.37 Favored 'General case' 0 CA--C 1.543 0.699 0 N-CA-C 113.18 0.807 . . . . 0.0 113.18 178.513 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 23.2 m-80 -74.96 -38.53 61.68 Favored 'General case' 0 N--CA 1.473 0.698 0 O-C-N 121.269 -0.894 . . . . 0.0 111.38 175.036 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 23.2 m-85 -69.68 -9.22 53.45 Favored 'General case' 0 CA--C 1.543 0.674 0 C-N-CA 124.508 1.123 . . . . 0.0 113.567 178.975 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 32.5 t -62.72 -26.01 68.46 Favored 'General case' 0 CA--C 1.543 0.701 0 C-N-CA 124.798 1.239 . . . . 0.0 113.233 170.169 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 25.7 t-20 . . . . . 0 CA--C 1.544 0.736 0 C-N-CA 123.777 0.831 . . . . 0.0 112.201 178.814 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' B' B ' 1' ' ' PHE . . . . . . . . . . . . . 63.0 t80 . . . . . 0 CA--C 1.541 0.606 0 N-CA-C 112.262 0.467 . . . . 0.0 112.262 . . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' B' B ' 2' ' ' VAL . . . . . . . . . . . . . 17.5 m -134.23 134.63 55.05 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.837 0 C-N-CA 125.108 1.363 . . . . 0.0 110.467 169.178 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 3' ' ' ASN . . . . . . . . . . . . . 8.0 m-20 -63.17 144.07 57.24 Favored 'General case' 0 CA--C 1.534 0.339 0 N-CA-C 113.359 0.874 . . . . 0.0 113.359 -175.565 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 4' ' ' GLN . . . . . . . . . . . . . 7.3 pt20 -170.75 160.65 7.06 Favored 'General case' 0 CA--C 1.54 0.561 0 C-N-CA 126.957 2.103 . . . . 0.0 109.348 -177.487 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 5' ' ' HIS . . . . . . . . . . . . . 28.5 m-70 -69.52 142.53 53.65 Favored 'General case' 0 CA--C 1.543 0.711 0 C-N-CA 124.4 1.08 . . . . 0.0 110.304 163.176 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 56.3 mt -143.27 136.76 28.33 Favored 'General case' 0 N--CA 1.473 0.712 0 C-N-CA 125.509 1.524 . . . . 0.0 111.303 -175.727 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 7' ' ' CYS . . . . . . . . . . . . . 4.4 t -152.08 159.4 43.68 Favored 'General case' 0 CA--C 1.541 0.617 0 N-CA-C 112.849 0.685 . . . . 0.0 112.849 -178.954 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 8' ' ' GLY . . . . . . . . . . . . . . . 57.72 -136.79 50.42 Favored Glycine 0 CA--C 1.534 1.262 0 C-N-CA 124.134 0.873 . . . . 0.0 113.246 177.704 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 9' ' ' SER . . . . . . . . . . . . . 19.1 m -58.91 -34.98 72.31 Favored 'General case' 0 N--CA 1.472 0.658 0 C-N-CA 123.77 0.828 . . . . 0.0 112.796 177.691 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 10' ' ' HIS . . . . . . . . . . . . . 31.6 m170 -63.61 -35.16 79.61 Favored 'General case' 0 N--CA 1.472 0.643 0 C-N-CA 123.566 0.746 . . . . 0.0 112.405 178.515 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 42.1 tp -67.01 -43.32 83.2 Favored 'General case' 0 CA--C 1.539 0.531 0 C-N-CA 124.121 0.968 . . . . 0.0 112.0 175.279 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 58.7 t -67.87 -41.52 84.98 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.84 0 C-N-CA 124.11 0.964 . . . . 0.0 111.252 178.346 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 44.6 mt-10 -66.34 -44.47 83.19 Favored 'General case' 0 N--CA 1.467 0.419 0 O-C-N 121.455 -0.778 . . . . 0.0 111.943 174.361 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -64.29 -38.63 91.74 Favored 'General case' 0 CA--C 1.538 0.512 0 O-C-N 121.259 -0.9 . . . . 0.0 112.999 -177.639 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 3.3 pp -73.04 -34.27 66.21 Favored 'General case' 0 N--CA 1.47 0.549 0 CA-C-N 118.9 0.773 . . . . 0.0 111.734 178.485 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 16' ' ' TYR . . . . . . . . . . . . . 1.9 t80 -63.98 -44.4 92.83 Favored 'General case' 0 CA--C 1.539 0.533 0 C-N-CA 124.007 0.923 . . . . 0.0 111.129 172.0 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 50.0 mt -69.31 -43.32 73.99 Favored 'General case' 0 CA--C 1.535 0.378 0 C-N-CA 124.172 0.989 . . . . 0.0 112.734 -178.579 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 18' ' ' VAL . . . . . . . . . . . . . 3.8 p -73.86 -28.84 24.76 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.791 0 C-N-CA 122.993 0.517 . . . . 0.0 112.177 -178.544 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 19' ' ' CYS . . . . . . . . . . . . . 43.1 t -76.85 -34.44 57.84 Favored 'General case' 0 CA--C 1.54 0.592 0 C-N-CA 124.348 1.059 . . . . 0.0 112.743 171.57 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.539 1.537 0 C-N-CA 124.843 1.211 . . . . 0.0 114.087 -173.942 . . . . . . . . 0 0 . 1 . 021 nuclear orig core ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 10.6 tt . . . . . 0 N--CA 1.477 0.898 0 N-CA-C 114.334 1.235 . . . . 0.0 114.334 . . . . . . . . . 0 0 . 1 . 021 nuclear orig core ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 8.3 p -66.71 -45.18 88.77 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.987 0 O-C-N 120.912 -1.117 . . . . 0.0 112.607 -170.429 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 16.9 pt-20 -73.68 1.36 10.43 Favored 'General case' 0 CA--C 1.541 0.599 0 C-N-CA 125.125 1.37 . . . . 0.0 114.29 176.004 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 92.8 mt-30 -102.66 -54.82 2.57 Favored 'General case' 0 CA--C 1.538 0.481 0 C-N-CA 125.233 1.413 . . . . 0.0 109.584 168.357 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 75.8 m -75.11 -22.48 58.2 Favored 'General case' 0 CA--C 1.542 0.649 0 N-CA-C 114.135 1.161 . . . . 0.0 114.135 -175.276 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 5.9 t -83.36 -12.71 56.25 Favored 'General case' 0 CA--C 1.548 0.891 0 O-C-N 121.322 -0.861 . . . . 0.0 112.84 178.118 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 13.8 t -114.95 -25.64 8.09 Favored 'General case' 0 N--CA 1.481 1.113 0 C-N-CA 125.19 1.396 . . . . 0.0 114.329 -179.302 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 97.2 p -136.94 159.83 40.71 Favored 'General case' 0 N--CA 1.473 0.699 0 C-N-CA 125.252 1.421 . . . . 0.0 111.705 168.239 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 45.2 mt -64.59 140.64 19.37 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.816 0 O-C-N 121.133 -0.979 . . . . 0.0 112.097 -172.575 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 64.3 m -120.26 106.38 11.85 Favored 'General case' 0 CA--C 1.534 0.335 0 C-N-CA 124.721 1.208 . . . . 0.0 110.293 169.348 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 59.8 m -71.5 164.81 25.12 Favored 'General case' 0 N--CA 1.468 0.436 0 C-N-CA 124.305 1.042 . . . . 0.0 110.81 171.079 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 2.3 pp -57.01 -33.46 67.18 Favored 'General case' 0 CA--C 1.547 0.83 0 O-C-N 121.366 -0.834 . . . . 0.0 112.316 179.097 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 43.7 m-85 -69.11 -26.58 64.98 Favored 'General case' 0 CA--C 1.541 0.632 0 C-N-CA 125.491 1.516 . . . . 0.0 113.72 175.806 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 42.0 mt-30 -79.71 -47.47 15.25 Favored 'General case' 0 N--CA 1.469 0.505 0 C-N-CA 124.278 1.031 . . . . 0.0 110.138 172.213 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 95.7 mt -56.41 -35.67 68.05 Favored 'General case' 0 N--CA 1.474 0.773 0 C-N-CA 124.222 1.009 . . . . 0.0 113.036 176.717 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 5.0 mm-40 -56.06 -37.48 69.33 Favored 'General case' 0 N--CA 1.473 0.723 0 C-N-CA 124.632 1.173 . . . . 0.0 113.659 172.124 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 95.0 m-20 -68.27 -29.9 68.8 Favored 'General case' 0 N--CA 1.47 0.542 0 O-C-N 121.356 -0.84 . . . . 0.0 112.146 -178.087 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 94.0 m-85 -74.58 -26.19 59.76 Favored 'General case' 0 CA--C 1.539 0.55 0 C-N-CA 123.958 0.903 . . . . 0.0 112.665 174.179 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 9.0 t -76.81 -34.33 57.93 Favored 'General case' 0 CA--C 1.545 0.777 0 CA-C-N 118.549 0.613 . . . . 0.0 112.242 170.614 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 N--CA 1.471 0.591 0 C-N-CA 124.902 1.281 . . . . 0.0 112.058 177.782 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' B' B ' 1' ' ' PHE . . . . . . . . . . . . . 43.7 t80 . . . . . 0 CA--C 1.542 0.641 0 N-CA-C 112.091 0.404 . . . . 0.0 112.091 . . . . . . . . . 0 0 . 1 . 021 nuclear orig core ' B' B ' 2' ' ' VAL . . . . . . . . . . . . . 47.5 t -136.48 128.74 44.8 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.929 0 C-N-CA 125.339 1.455 . . . . 0.0 109.346 174.456 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' B' B ' 3' ' ' ASN . . . . . . . . . . . . . 94.9 m-20 -58.01 135.35 56.94 Favored 'General case' 0 N--CA 1.47 0.525 0 C-N-CA 123.231 0.612 . . . . 0.0 112.229 178.406 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' B' B ' 4' ' ' GLN . . . . . . . . . . . . . 6.4 pt20 -163.48 166.29 22.84 Favored 'General case' 0 CA--C 1.537 0.455 0 C-N-CA 125.062 1.345 . . . . 0.0 110.557 176.693 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' B' B ' 5' ' ' HIS . . . . . . . . . . . . . 27.9 m-70 -76.59 80.48 3.26 Favored 'General case' 0 CA--C 1.545 0.753 0 C-N-CA 125.358 1.463 . . . . 0.0 110.686 168.728 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 2.7 mm? -60.98 135.32 57.75 Favored 'General case' 0 N--CA 1.474 0.743 0 O-C-N 121.367 -0.833 . . . . 0.0 111.923 -179.996 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' B' B ' 7' ' ' CYS . . . . . . . . . . . . . 7.0 t -150.92 158.14 43.77 Favored 'General case' 0 CA--C 1.541 0.622 0 C-N-CA 123.163 0.585 . . . . 0.0 112.331 -176.591 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' B' B ' 8' ' ' GLY . . . . . . . . . . . . . . . 56.46 -135.33 50.49 Favored Glycine 0 CA--C 1.535 1.321 0 C-N-CA 124.034 0.826 . . . . 0.0 113.735 176.418 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' B' B ' 9' ' ' SER . . . . . . . . . . . . . 36.2 p -64.62 -31.72 73.06 Favored 'General case' 0 N--CA 1.471 0.613 0 C-N-CA 123.991 0.916 . . . . 0.0 113.351 176.379 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' B' B ' 10' ' ' HIS . . . . . . . . . . . . . 32.0 m170 -63.51 -35.12 79.43 Favored 'General case' 0 N--CA 1.472 0.668 0 CA-C-N 118.937 0.79 . . . . 0.0 112.298 177.966 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 63.9 tp -65.35 -44.89 86.28 Favored 'General case' 0 N--CA 1.467 0.384 0 C-N-CA 124.309 1.044 . . . . 0.0 112.166 174.348 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 72.5 t -64.62 -42.66 95.74 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.584 0 C-N-CA 123.849 0.86 . . . . 0.0 110.767 177.579 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 47.4 mt-10 -65.02 -44.59 88.64 Favored 'General case' 0 N--CA 1.468 0.448 0 O-C-N 121.721 -0.612 . . . . 0.0 112.224 175.608 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -63.58 -38.28 90.54 Favored 'General case' 0 CA--C 1.542 0.665 0 O-C-N 121.277 -0.889 . . . . 0.0 112.929 -177.326 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 3.6 pp -78.23 -29.99 48.54 Favored 'General case' 0 CA--C 1.541 0.615 0 O-C-N 121.721 -0.612 . . . . 0.0 112.602 177.202 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' B' B ' 16' ' ' TYR . . . . . . . . . . . . . 1.0 OUTLIER -64.51 -41.37 96.46 Favored 'General case' 0 N--CA 1.468 0.47 0 C-N-CA 123.72 0.808 . . . . 0.0 111.326 170.148 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 45.6 mt -68.91 -48.63 62.83 Favored 'General case' 0 CA--C 1.534 0.329 0 C-N-CA 123.726 0.81 . . . . 0.0 111.873 -178.337 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' B' B ' 18' ' ' VAL . . . . . . . . . . . . . 5.9 p -67.05 -34.85 72.44 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.767 0 N-CA-C 111.986 0.365 . . . . 0.0 111.986 -177.501 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' B' B ' 19' ' ' CYS . . . . . . . . . . . . . 6.9 t -88.74 -36.87 15.9 Favored 'General case' 0 CA--C 1.541 0.606 0 N-CA-C 112.838 0.681 . . . . 0.0 112.838 -175.779 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.533 1.218 0 O-C-N 120.98 -1.075 . . . . 0.0 113.517 178.628 . . . . . . . . 0 0 . 1 . 022 nuclear orig core ' A' A ' 2' ' ' ILE . . . . . . . . . . . . 0.256 18.2 tt . . . . . 0 N--CA 1.477 0.917 0 N-CA-C 117.296 2.332 . . . . 0.0 117.296 . . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 35.2 t -69.87 138.81 21.34 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.744 0 C-N-CA 125.713 1.605 . . . . 0.0 109.509 169.049 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 43.1 mt-10 54.56 21.85 3.62 Favored 'General case' 0 CA--C 1.549 0.93 0 N-CA-C 114.687 1.365 . . . . 0.0 114.687 -166.028 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 40.2 mt-30 -110.34 -64.38 1.27 Allowed 'General case' 0 N--CA 1.47 0.561 0 C-N-CA 124.619 1.167 . . . . 0.0 109.02 157.987 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -69.71 -18.1 63.51 Favored 'General case' 0 CA--C 1.548 0.891 0 N-CA-C 113.159 0.8 . . . . 0.0 113.159 -177.981 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 28.9 t -90.25 -7.2 54.07 Favored 'General case' 0 CA--C 1.549 0.931 0 C-N-CA 125.117 1.367 . . . . 0.0 113.367 178.61 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 5.7 t -124.06 -24.76 4.32 Favored 'General case' 0 N--CA 1.483 1.197 0 N-CA-C 114.146 1.165 . . . . 0.0 114.146 -179.821 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 92.4 p -126.85 155.41 42.98 Favored 'General case' 0 N--CA 1.47 0.564 0 C-N-CA 125.22 1.408 . . . . 0.0 111.133 165.771 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 15.1 mt -62.09 136.23 25.67 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.693 0 C-N-CA 123.881 0.873 . . . . 0.0 112.428 -170.443 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 58.8 m -80.42 146.47 31.44 Favored 'General case' 0 CA--C 1.537 0.452 0 C-N-CA 124.869 1.268 . . . . 0.0 111.648 173.67 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 55.0 m -130.81 157.64 42.3 Favored 'General case' 0 N--CA 1.47 0.535 0 C-N-CA 125.402 1.481 . . . . 0.0 109.77 171.628 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . 0.463 ' H ' HD11 ' A' ' 13' ' ' LEU . 4.7 mp -51.3 -45.35 62.14 Favored 'General case' 0 N--CA 1.47 0.533 0 C-N-CA 124.469 1.108 . . . . 0.0 111.244 179.548 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 24.8 m-85 -62.09 -37.67 85.96 Favored 'General case' 0 CA--C 1.54 0.563 0 C-N-CA 125.367 1.467 . . . . 0.0 112.94 -179.649 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 10.1 mm-40 -72.38 -42.47 65.18 Favored 'General case' 0 N--CA 1.469 0.491 0 C-N-CA 123.574 0.749 . . . . 0.0 110.733 176.714 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 69.0 mt -65.63 -36.59 84.14 Favored 'General case' 0 CA--C 1.544 0.748 0 C-N-CA 123.986 0.914 . . . . 0.0 112.086 177.236 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 39.0 mt-10 -66.75 -38.18 86.12 Favored 'General case' 0 CA--C 1.542 0.64 0 O-C-N 121.219 -0.925 . . . . 0.0 112.213 170.46 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 81.5 m-20 -63.96 -33.31 75.44 Favored 'General case' 0 CA--C 1.541 0.619 0 O-C-N 121.321 -0.862 . . . . 0.0 112.394 174.296 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 25.4 m-85 -71.13 -32.65 69.26 Favored 'General case' 0 CA--C 1.54 0.581 0 N-CA-C 112.928 0.714 . . . . 0.0 112.928 172.203 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 35.5 t -70.81 -37.45 73.26 Favored 'General case' 0 CA--C 1.546 0.8 0 C-N-CA 123.353 0.661 . . . . 0.0 112.511 174.546 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 25.5 t-20 . . . . . 0 CA--C 1.545 0.755 0 C-N-CA 124.944 1.298 . . . . 0.0 112.713 -178.826 . . . . . . . . 0 0 . 1 . 022 nuclear orig core ' B' B ' 1' ' ' PHE . . . . . . . . . . . . . 44.9 t80 . . . . . 0 CA--C 1.539 0.52 0 N-CA-C 112.127 0.417 . . . . 0.0 112.127 . . . . . . . . . 0 0 . 1 . 022 nuclear orig core ' B' B ' 2' ' ' VAL . . . . . . . . . . . . . 25.2 m -136.19 141.44 41.48 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.774 0 C-N-CA 125.04 1.336 . . . . 0.0 110.115 166.117 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' B' B ' 3' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -51.85 129.67 27.22 Favored 'General case' 0 CA--C 1.538 0.489 0 C-N-CA 123.908 0.883 . . . . 0.0 113.255 178.112 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' B' B ' 4' ' ' GLN . . . . . . . . . . . . . 7.5 pt20 -165.27 153.12 11.23 Favored 'General case' 0 CA--C 1.533 0.321 0 C-N-CA 125.465 1.506 . . . . 0.0 110.285 177.591 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' B' B ' 5' ' ' HIS . . . . . . . . . . . . . 24.7 m-70 -70.06 145.0 51.99 Favored 'General case' 0 CA--C 1.542 0.657 0 C-N-CA 123.999 0.919 . . . . 0.0 110.259 161.93 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 73.6 mt -136.58 139.35 42.08 Favored 'General case' 0 N--CA 1.471 0.607 0 C-N-CA 125.01 1.324 . . . . 0.0 111.545 179.571 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' B' B ' 7' ' ' CYS . . . . . . . . . . . . . 72.0 m -134.93 143.85 47.13 Favored 'General case' 0 CA--C 1.539 0.533 0 C-N-CA 124.734 1.213 . . . . 0.0 111.291 -171.171 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' B' B ' 8' ' ' GLY . . . . . . . . . . . . . . . 52.44 -129.91 37.51 Favored Glycine 0 CA--C 1.534 1.25 0 C-N-CA 123.879 0.752 . . . . 0.0 113.676 174.922 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' B' B ' 9' ' ' SER . . . . . . . . . . . . . 23.3 m -57.32 -34.28 68.58 Favored 'General case' 0 N--CA 1.472 0.648 0 C-N-CA 124.262 1.025 . . . . 0.0 113.647 -179.969 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' B' B ' 10' ' ' HIS . . . . . . . . . . . . . 30.5 m170 -65.15 -32.81 74.69 Favored 'General case' 0 N--CA 1.475 0.781 0 CA-C-N 119.1 0.864 . . . . 0.0 112.456 178.818 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 1.3 tt -67.34 -47.68 69.76 Favored 'General case' 0 CA--C 1.542 0.656 0 C-N-CA 125.13 1.372 . . . . 0.0 110.429 174.85 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 61.5 t -65.1 -40.54 89.22 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.886 0 C-N-CA 124.706 1.203 . . . . 0.0 111.777 178.745 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 43.8 mt-10 -65.26 -42.21 93.49 Favored 'General case' 0 N--CA 1.469 0.499 0 O-C-N 121.328 -0.858 . . . . 0.0 111.955 175.409 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -66.38 -38.14 86.87 Favored 'General case' 0 CA--C 1.539 0.556 0 O-C-N 121.306 -0.871 . . . . 0.0 112.951 -178.469 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 3.7 pp -74.39 -34.38 63.29 Favored 'General case' 0 N--CA 1.468 0.449 0 CA-C-N 118.395 0.543 . . . . 0.0 111.558 177.907 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' B' B ' 16' ' ' TYR . . . . . . . . . . . . . 2.9 t80 -62.03 -41.48 98.15 Favored 'General case' 0 CA--C 1.541 0.604 0 C-N-CA 123.703 0.801 . . . . 0.0 111.489 171.215 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 40.4 mt -69.56 -46.57 66.08 Favored 'General case' 0 CA--C 1.535 0.386 0 C-N-CA 123.649 0.78 . . . . 0.0 112.397 -178.768 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' B' B ' 18' ' ' VAL . . . . . . . . . . . . . 5.8 p -73.5 -30.55 30.18 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.817 0 N-CA-C 112.449 0.537 . . . . 0.0 112.449 -177.373 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' B' B ' 19' ' ' CYS . . . . . . . . . . . . . 11.2 t -85.34 -31.87 22.77 Favored 'General case' 0 CA--C 1.543 0.703 0 C-N-CA 123.92 0.888 . . . . 0.0 112.853 179.788 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.539 1.547 0 C-N-CA 125.399 1.476 . . . . 0.0 115.518 179.514 . . . . . . . . 0 0 . 1 . 023 nuclear orig core ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 10.4 tt . . . . . 0 N--CA 1.48 1.036 0 N-CA-C 114.167 1.173 . . . . 0.0 114.167 . . . . . . . . . 0 0 . 1 . 023 nuclear orig core ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 9.3 p -63.29 -48.91 85.21 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.729 0 C-N-CA 122.982 0.513 . . . . 0.0 111.93 -169.292 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 16.9 pt-20 -68.95 -44.0 73.89 Favored 'General case' 0 CA--C 1.532 0.282 0 CA-C-O 118.708 -0.663 . . . . 0.0 110.387 174.283 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 16.1 tp60 -60.43 -42.18 95.52 Favored 'General case' 0 N--CA 1.467 0.38 0 CA-C-N 119.083 0.856 . . . . 0.0 112.748 -173.096 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 61.4 m -89.96 -25.99 20.61 Favored 'General case' 0 CA--C 1.543 0.681 0 N-CA-C 113.511 0.93 . . . . 0.0 113.511 -177.95 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 84.9 m -72.45 -26.46 61.84 Favored 'General case' 0 CA--C 1.549 0.916 0 O-C-N 121.0 -1.063 . . . . 0.0 112.654 169.242 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 1.4 t -98.47 -26.69 14.36 Favored 'General case' 0 N--CA 1.482 1.137 0 N-CA-C 114.565 1.32 . . . . 0.0 114.565 -177.367 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 52.7 m -140.25 163.93 31.43 Favored 'General case' 0 N--CA 1.477 0.876 0 C-N-CA 125.597 1.559 . . . . 0.0 112.002 179.547 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 46.0 mt -63.62 137.66 24.32 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.633 0 O-C-N 121.245 -0.91 . . . . 0.0 110.594 173.581 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 17.5 m -115.55 160.76 19.55 Favored 'General case' 0 CA--C 1.54 0.574 0 C-N-CA 124.933 1.293 . . . . 0.0 112.339 174.585 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 63.6 m -121.45 156.54 32.52 Favored 'General case' 0 N--CA 1.472 0.647 0 C-N-CA 125.731 1.612 . . . . 0.0 111.153 175.651 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 2.6 pt? -58.1 -30.7 66.47 Favored 'General case' 0 CA--C 1.54 0.594 0 N-CA-C 113.738 1.014 . . . . 0.0 113.738 -177.465 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 24.9 m-85 -65.02 -32.74 74.61 Favored 'General case' 0 CA--C 1.539 0.558 0 C-N-CA 124.597 1.159 . . . . 0.0 112.69 176.212 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 42.7 mt-30 -71.37 -42.63 68.19 Favored 'General case' 0 N--CA 1.469 0.476 0 C-N-CA 123.338 0.655 . . . . 0.0 110.122 173.375 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 64.9 mt -60.92 -37.34 81.94 Favored 'General case' 0 CA--C 1.541 0.634 0 C-N-CA 123.268 0.627 . . . . 0.0 112.67 176.594 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 45.6 mt-10 -65.34 -39.12 91.97 Favored 'General case' 0 N--CA 1.472 0.638 0 C-N-CA 123.438 0.695 . . . . 0.0 112.73 169.934 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 91.9 m-20 -67.7 -30.34 69.82 Favored 'General case' 0 CA--C 1.542 0.653 0 O-C-N 121.235 -0.916 . . . . 0.0 112.674 176.156 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 27.3 m-85 -75.05 -33.8 61.76 Favored 'General case' 0 N--CA 1.469 0.494 0 CA-C-N 118.996 0.816 . . . . 0.0 112.541 175.894 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 7.3 p -81.41 -40.43 23.43 Favored 'General case' 0 CA--C 1.543 0.684 0 N-CA-C 112.872 0.693 . . . . 0.0 112.872 178.007 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 19.2 p30 . . . . . 0 N--CA 1.473 0.695 0 C-N-CA 128.315 2.646 . . . . 0.0 114.883 176.577 . . . . . . . . 0 0 . 1 . 023 nuclear orig core ' B' B ' 1' ' ' PHE . . . . . . . . . . . . . 38.8 t80 . . . . . 0 CA--C 1.542 0.647 0 N-CA-C 111.885 0.328 . . . . 0.0 111.885 . . . . . . . . . 0 0 . 1 . 023 nuclear orig core ' B' B ' 2' ' ' VAL . . . . . . . . . . . . . 2.9 m -138.92 86.61 0.51 Allowed 'Isoleucine or valine' 0 N--CA 1.476 0.862 0 C-N-CA 124.86 1.264 . . . . 0.0 112.204 177.644 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' B' B ' 3' ' ' ASN . . . . . . . . . . . . . 28.1 m120 47.75 -132.78 1.33 Allowed 'General case' 0 CA--C 1.551 1.001 0 C-N-CA 125.954 1.702 . . . . 0.0 115.03 163.437 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' B' B ' 4' ' ' GLN . . . . . . . . . . . . 0.282 7.1 pt20 59.55 162.31 0.04 OUTLIER 'General case' 0 CA--C 1.545 0.766 1 C-N-CA 133.826 4.85 . . . . 0.0 117.938 177.212 . . . . . . . . 3 2 . 1 . 023 nuclear orig core ' B' B ' 5' ' ' HIS . . . . . . . . . . . . . 52.6 m-70 -77.33 72.19 3.86 Favored 'General case' 0 CA--C 1.54 0.592 0 C-N-CA 126.606 1.962 . . . . 0.0 111.001 175.721 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 61.8 mt -61.81 125.32 23.41 Favored 'General case' 0 N--CA 1.469 0.495 0 C-N-CA 123.715 0.806 . . . . 0.0 111.462 -178.123 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' B' B ' 7' ' ' CYS . . . . . . . . . . . . . 11.0 t -145.68 156.0 43.35 Favored 'General case' 0 CA--C 1.54 0.588 0 C-N-CA 123.289 0.636 . . . . 0.0 112.314 -174.239 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' B' B ' 8' ' ' GLY . . . . . . . . . . . . . . . 58.4 -134.66 52.35 Favored Glycine 0 CA--C 1.535 1.291 0 C-N-CA 124.026 0.822 . . . . 0.0 113.306 177.881 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' B' B ' 9' ' ' SER . . . . . . . . . . . . . 36.0 p -59.35 -33.27 70.95 Favored 'General case' 0 N--CA 1.472 0.656 0 C-N-CA 124.132 0.973 . . . . 0.0 113.517 178.146 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' B' B ' 10' ' ' HIS . . . . . . . . . . . . . 27.7 m-70 -67.35 -35.36 79.21 Favored 'General case' 0 N--CA 1.472 0.649 0 CA-C-N 118.789 0.722 . . . . 0.0 112.092 178.674 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 39.2 tp -67.33 -41.73 84.75 Favored 'General case' 0 CA--C 1.539 0.546 0 C-N-CA 124.088 0.955 . . . . 0.0 111.913 174.89 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 76.5 t -66.68 -43.26 90.31 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.763 0 C-N-CA 123.908 0.883 . . . . 0.0 111.225 176.288 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 37.6 mt-10 -66.85 -40.9 88.06 Favored 'General case' 0 N--CA 1.47 0.557 0 O-C-N 121.412 -0.805 . . . . 0.0 112.311 176.739 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -64.6 -38.0 89.49 Favored 'General case' 0 CA--C 1.541 0.61 0 CA-C-N 119.135 0.879 . . . . 0.0 113.052 -178.592 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 2.4 pp -77.15 -35.12 56.33 Favored 'General case' 0 N--CA 1.469 0.513 0 O-C-N 121.74 -0.6 . . . . 0.0 111.201 178.171 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' B' B ' 16' ' ' TYR . . . . . . . . . . . . . 3.7 t80 -61.2 -39.84 91.73 Favored 'General case' 0 CA--C 1.54 0.596 0 C-N-CA 123.672 0.789 . . . . 0.0 111.532 172.067 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 31.3 mt -69.59 -45.61 68.21 Favored 'General case' 0 N--CA 1.465 0.299 0 C-N-CA 123.663 0.785 . . . . 0.0 112.232 -178.454 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' B' B ' 18' ' ' VAL . . . . . . . . . . . . . 9.5 p -75.27 -34.43 30.85 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.723 0 N-CA-C 112.359 0.503 . . . . 0.0 112.359 -178.145 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' B' B ' 19' ' ' CYS . . . . . . . . . . . . . 8.9 t -92.22 -34.34 14.32 Favored 'General case' 0 CA--C 1.542 0.643 0 N-CA-C 112.95 0.722 . . . . 0.0 112.95 -173.892 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.535 1.333 0 C-N-CA 126.223 1.868 . . . . 0.0 114.371 175.74 . . . . . . . . 0 0 . 1 . 024 nuclear orig core ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 17.5 tt . . . . . 0 N--CA 1.478 0.948 0 CA-C-O 120.891 0.377 . . . . 0.0 111.343 . . . . . . . . . 0 0 . 1 . 024 nuclear orig core ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 38.0 t -72.57 140.88 17.24 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.503 0 C-N-CA 124.018 0.927 . . . . 0.0 109.152 161.661 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . 0.258 10.1 mm-40 59.1 16.88 5.09 Favored 'General case' 0 CA--C 1.548 0.884 0 C-N-CA 126.077 1.751 . . . . 0.0 115.62 -164.4 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 8.6 tp-100 -102.56 -69.74 0.78 Allowed 'General case' 0 N--CA 1.468 0.469 0 N-CA-C 108.878 -0.786 . . . . 0.0 108.878 145.354 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 95.2 m -69.42 -27.87 65.65 Favored 'General case' 0 CA--C 1.542 0.646 0 N-CA-C 113.696 0.998 . . . . 0.0 113.696 -172.05 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 10.1 t -79.16 -16.05 57.19 Favored 'General case' 0 CA--C 1.549 0.909 0 N-CA-C 113.378 0.881 . . . . 0.0 113.378 -176.266 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 13.2 t -121.29 -25.75 5.17 Favored 'General case' 0 N--CA 1.479 1.024 0 C-N-CA 125.258 1.423 . . . . 0.0 113.504 -176.128 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 74.9 m -133.69 159.38 40.72 Favored 'General case' 0 N--CA 1.469 0.517 0 C-N-CA 126.262 1.825 . . . . 0.0 111.077 177.39 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 50.3 mt -63.6 137.07 25.35 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.567 0 O-C-N 121.605 -0.684 . . . . 0.0 109.992 172.941 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 17.2 p -129.54 166.8 18.96 Favored 'General case' 0 CA--C 1.543 0.698 0 C-N-CA 124.501 1.12 . . . . 0.0 111.763 174.47 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 70.7 m -119.41 156.89 29.29 Favored 'General case' 0 N--CA 1.473 0.722 0 C-N-CA 125.175 1.39 . . . . 0.0 112.314 -173.698 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 2.6 pt? -57.55 -30.97 65.66 Favored 'General case' 0 CA--C 1.54 0.581 0 C-N-CA 124.309 1.044 . . . . 0.0 113.495 179.789 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 23.9 m-85 -65.67 -34.5 78.36 Favored 'General case' 0 CA--C 1.538 0.515 0 C-N-CA 124.419 1.088 . . . . 0.0 112.417 175.432 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 44.7 mt-30 -72.59 -39.78 67.09 Favored 'General case' 0 N--CA 1.467 0.382 0 O-C-N 121.357 -0.839 . . . . 0.0 110.327 174.506 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 79.0 mt -58.39 -41.15 84.24 Favored 'General case' 0 CA--C 1.543 0.68 0 C-N-CA 122.91 0.484 . . . . 0.0 112.178 173.026 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 45.1 mt-10 -62.97 -35.5 80.36 Favored 'General case' 0 N--CA 1.474 0.766 0 N-CA-C 113.214 0.82 . . . . 0.0 113.214 171.723 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 12.6 m-80 -66.63 -30.98 71.38 Favored 'General case' 0 CA--C 1.542 0.656 0 O-C-N 121.254 -0.904 . . . . 0.0 112.528 174.291 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 30.9 m-85 -75.79 -30.66 59.15 Favored 'General case' 0 CA--C 1.543 0.675 0 CA-C-N 119.085 0.857 . . . . 0.0 112.73 172.691 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 71.3 m -70.25 -33.27 71.42 Favored 'General case' 0 CA--C 1.544 0.733 0 C-N-CA 123.692 0.797 . . . . 0.0 112.877 172.219 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 25.3 t-20 . . . . . 0 CA--C 1.544 0.735 0 C-N-CA 124.727 1.211 . . . . 0.0 112.619 -179.121 . . . . . . . . 0 0 . 1 . 024 nuclear orig core ' B' B ' 1' ' ' PHE . . . . . . . . . . . . . 43.9 t80 . . . . . 0 CA--C 1.54 0.575 0 N-CA-C 112.083 0.401 . . . . 0.0 112.083 . . . . . . . . . 0 0 . 1 . 024 nuclear orig core ' B' B ' 2' ' ' VAL . . . . . . . . . . . . . 20.3 m -135.61 139.26 46.76 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.698 0 C-N-CA 125.15 1.38 . . . . 0.0 109.607 164.266 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' B' B ' 3' ' ' ASN . . . . . . . . . . . . . 20.9 m120 -59.16 140.43 55.91 Favored 'General case' 0 N--CA 1.466 0.373 0 CA-C-O 121.802 0.811 . . . . 0.0 112.777 -179.617 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' B' B ' 4' ' ' GLN . . . . . . . . . . . . . 7.0 pt20 -169.37 162.63 10.41 Favored 'General case' 0 CA--C 1.538 0.49 0 C-N-CA 127.088 2.155 . . . . 0.0 108.563 -179.669 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' B' B ' 5' ' ' HIS . . . . . . . . . . . . . 26.6 m-70 -67.81 139.11 56.58 Favored 'General case' 0 CA--C 1.54 0.592 0 C-N-CA 123.841 0.856 . . . . 0.0 109.587 161.631 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 65.4 mt -136.31 131.34 34.22 Favored 'General case' 0 N--CA 1.472 0.629 0 C-N-CA 125.029 1.332 . . . . 0.0 110.735 -176.053 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' B' B ' 7' ' ' CYS . . . . . . . . . . . . . 3.8 t -151.84 156.61 40.53 Favored 'General case' 0 CA--C 1.538 0.494 0 N-CA-C 112.563 0.579 . . . . 0.0 112.563 -179.158 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' B' B ' 8' ' ' GLY . . . . . . . . . . . . . . . 56.96 -136.26 50.58 Favored Glycine 0 CA--C 1.534 1.234 0 C-N-CA 123.813 0.721 . . . . 0.0 112.855 -178.99 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' B' B ' 9' ' ' SER . . . . . . . . . . . . . 40.0 p -59.23 -31.73 69.32 Favored 'General case' 0 N--CA 1.471 0.59 0 N-CA-C 113.717 1.006 . . . . 0.0 113.717 178.575 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' B' B ' 10' ' ' HIS . . . . . . . . . . . . . 30.6 m170 -65.53 -36.38 83.64 Favored 'General case' 0 N--CA 1.473 0.693 0 CA-C-N 119.36 0.982 . . . . 0.0 112.232 176.649 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -65.06 -46.5 80.93 Favored 'General case' 0 CA--C 1.539 0.545 0 C-N-CA 123.998 0.919 . . . . 0.0 110.961 174.201 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 82.6 t -61.5 -45.23 99.08 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.718 0 C-N-CA 124.243 1.017 . . . . 0.0 111.293 177.774 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 45.5 mt-10 -63.15 -42.41 99.43 Favored 'General case' 0 N--CA 1.472 0.648 0 CA-C-N 118.959 0.8 . . . . 0.0 112.182 176.381 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -64.61 -36.46 84.3 Favored 'General case' 0 CA--C 1.541 0.624 0 N-CA-C 113.146 0.795 . . . . 0.0 113.146 -179.02 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 3.2 pp -82.09 -34.98 29.09 Favored 'General case' 0 CA--C 1.536 0.44 0 O-C-N 121.762 -0.586 . . . . 0.0 111.111 178.049 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' B' B ' 16' ' ' TYR . . . . . . . . . . . . . 10.0 t80 -58.1 -38.29 76.17 Favored 'General case' 0 CA--C 1.539 0.552 0 C-N-CA 123.876 0.87 . . . . 0.0 111.736 171.125 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 32.1 mt -69.44 -46.67 66.2 Favored 'General case' 0 CA--C 1.534 0.345 0 C-N-CA 123.718 0.807 . . . . 0.0 112.502 178.742 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' B' B ' 18' ' ' VAL . . . . . . . . . . . . . 6.4 p -76.39 -29.34 18.73 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.773 0 N-CA-C 112.75 0.648 . . . . 0.0 112.75 -176.781 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' B' B ' 19' ' ' CYS . . . . . . . . . . . . . 84.5 m -99.89 -25.86 14.2 Favored 'General case' 0 CA--C 1.543 0.706 0 N-CA-C 114.215 1.191 . . . . 0.0 114.215 -175.228 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.539 1.534 0 C-N-CA 125.897 1.713 . . . . 0.0 115.873 -179.414 . . . . . . . . 0 0 . 1 . 025 nuclear orig core ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 14.6 tt . . . . . 0 N--CA 1.477 0.894 0 N-CA-C 114.177 1.177 . . . . 0.0 114.177 . . . . . . . . . 0 0 . 1 . 025 nuclear orig core ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 10.9 p -63.44 -48.99 84.56 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.883 0 O-C-N 121.332 -0.855 . . . . 0.0 112.299 -169.255 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 14.5 pt-20 -69.35 -5.77 25.49 Favored 'General case' 0 CA--C 1.544 0.729 0 C-N-CA 125.333 1.453 . . . . 0.0 114.167 176.104 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 91.8 mt-30 -102.98 -32.93 9.49 Favored 'General case' 0 CA--C 1.54 0.589 0 C-N-CA 125.091 1.356 . . . . 0.0 112.171 176.767 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 73.9 m -103.82 -18.63 14.57 Favored 'General case' 0 CA--C 1.544 0.738 0 N-CA-C 115.679 1.733 . . . . 0.0 115.679 179.64 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 3.7 m -81.78 -24.17 36.15 Favored 'General case' 0 N--CA 1.478 0.974 0 CA-C-N 120.457 1.48 . . . . 0.0 113.726 177.864 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 6.9 t -111.82 -12.22 13.84 Favored 'General case' 0 N--CA 1.481 1.087 0 C-N-CA 124.929 1.292 . . . . 0.0 113.869 -176.562 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 68.7 m -140.61 158.04 44.58 Favored 'General case' 0 N--CA 1.47 0.537 0 C-N-CA 126.372 1.869 . . . . 0.0 110.475 177.421 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 25.9 mt -66.07 139.12 21.76 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.657 0 C-N-CA 123.486 0.714 . . . . 0.0 111.75 -178.871 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 50.3 m -122.01 156.93 32.45 Favored 'General case' 0 CA--C 1.542 0.663 0 C-N-CA 125.334 1.454 . . . . 0.0 111.592 169.516 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 48.7 m -137.0 159.63 41.31 Favored 'General case' 0 N--CA 1.471 0.589 0 C-N-CA 126.499 1.92 . . . . 0.0 109.625 179.584 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 2.5 pt? -56.07 -33.76 65.33 Favored 'General case' 0 CA--C 1.542 0.663 0 N-CA-C 113.262 0.838 . . . . 0.0 113.262 -177.014 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 27.1 m-85 -64.26 -27.88 69.35 Favored 'General case' 0 CA--C 1.541 0.611 0 C-N-CA 125.039 1.336 . . . . 0.0 113.593 176.532 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 20.8 mm100 -86.53 -35.0 19.8 Favored 'General case' 0 N--CA 1.468 0.461 0 C-N-CA 124.637 1.175 . . . . 0.0 111.35 172.423 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 97.1 mt -65.38 -25.36 67.53 Favored 'General case' 0 CA--C 1.542 0.662 0 N-CA-C 113.087 0.773 . . . . 0.0 113.087 177.181 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 38.7 mt-10 -57.55 -27.26 62.49 Favored 'General case' 0 CA--C 1.544 0.721 0 N-CA-C 113.569 0.952 . . . . 0.0 113.569 167.801 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 75.4 m-20 -71.06 -29.34 65.2 Favored 'General case' 0 CA--C 1.541 0.633 0 CA-C-N 119.658 1.117 . . . . 0.0 112.238 179.345 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 33.9 m-85 -82.85 -26.97 31.14 Favored 'General case' 0 N--CA 1.473 0.68 0 C-N-CA 123.645 0.778 . . . . 0.0 112.227 173.809 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 31.7 t -70.37 -41.16 73.47 Favored 'General case' 0 CA--C 1.546 0.814 0 C-N-CA 124.602 1.161 . . . . 0.0 112.528 170.788 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 59.5 t-20 . . . . . 0 CA--C 1.543 0.689 0 C-N-CA 125.679 1.592 . . . . 0.0 111.541 -174.894 . . . . . . . . 0 0 . 1 . 025 nuclear orig core ' B' B ' 1' ' ' PHE . . . . . . . . . . . . . 8.0 t80 . . . . . 0 CA--C 1.541 0.62 0 N-CA-C 111.597 0.221 . . . . 0.0 111.597 . . . . . . . . . 0 0 . 1 . 025 nuclear orig core ' B' B ' 2' ' ' VAL . . . . . . . . . . . . . 29.8 m -134.59 141.67 42.72 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.921 0 C-N-CA 124.818 1.247 . . . . 0.0 110.951 169.512 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' B' B ' 3' ' ' ASN . . . . . . . . . . . . . 5.9 p-10 -57.1 139.39 52.55 Favored 'General case' 0 CA--C 1.534 0.341 0 C-N-CA 123.849 0.86 . . . . 0.0 112.854 176.59 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' B' B ' 4' ' ' GLN . . . . . . . . . . . . . 7.4 pt20 -169.76 156.93 6.62 Favored 'General case' 0 CA--C 1.535 0.393 0 C-N-CA 125.673 1.589 . . . . 0.0 110.228 179.934 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' B' B ' 5' ' ' HIS . . . . . . . . . . . . . 22.7 m-70 -62.9 140.98 58.87 Favored 'General case' 0 CA--C 1.542 0.649 0 C-N-CA 123.907 0.883 . . . . 0.0 109.742 158.649 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 69.0 mt -137.84 134.76 35.5 Favored 'General case' 0 N--CA 1.472 0.628 0 C-N-CA 125.036 1.334 . . . . 0.0 111.623 -172.742 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' B' B ' 7' ' ' CYS . . . . . . . . . . . . . 86.5 m -139.81 158.49 44.01 Favored 'General case' 0 CA--C 1.539 0.557 0 C-N-CA 125.207 1.403 . . . . 0.0 112.635 179.36 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' B' B ' 8' ' ' GLY . . . . . . . . . . . . . . . 52.87 -131.8 40.66 Favored Glycine 0 CA--C 1.533 1.196 0 C-N-CA 124.556 1.074 . . . . 0.0 114.416 168.314 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' B' B ' 9' ' ' SER . . . . . . . . . . . . . 36.0 p -58.35 -34.82 71.07 Favored 'General case' 0 N--CA 1.471 0.594 0 C-N-CA 124.105 0.962 . . . . 0.0 113.402 177.846 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' B' B ' 10' ' ' HIS . . . . . . . . . . . . . 27.2 m-70 -68.48 -38.7 81.28 Favored 'General case' 0 N--CA 1.472 0.644 0 CA-C-N 119.061 0.846 . . . . 0.0 111.932 177.409 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 51.1 tp -66.62 -42.3 87.0 Favored 'General case' 0 N--CA 1.469 0.499 0 C-N-CA 124.244 1.018 . . . . 0.0 111.955 175.476 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 86.5 t -65.71 -47.4 86.11 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.779 0 C-N-CA 123.715 0.806 . . . . 0.0 111.069 175.673 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 38.2 mt-10 -64.91 -39.17 93.1 Favored 'General case' 0 N--CA 1.47 0.569 0 O-C-N 121.458 -0.776 . . . . 0.0 112.339 179.195 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -64.69 -37.03 86.21 Favored 'General case' 0 CA--C 1.54 0.576 0 O-C-N 121.302 -0.874 . . . . 0.0 113.102 -179.731 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 1.8 pp -81.02 -35.56 31.74 Favored 'General case' 0 N--CA 1.467 0.401 0 O-C-N 121.93 -0.481 . . . . 0.0 110.754 178.28 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' B' B ' 16' ' ' TYR . . . . . . . . . . . . . 7.7 t80 -59.96 -37.69 80.32 Favored 'General case' 0 CA--C 1.539 0.557 0 C-N-CA 124.347 1.059 . . . . 0.0 112.26 172.767 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 33.4 mt -69.28 -45.6 69.23 Favored 'General case' 0 N--CA 1.468 0.431 0 C-N-CA 123.942 0.897 . . . . 0.0 111.84 179.357 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' B' B ' 18' ' ' VAL . . . . . . . . . . . . . 5.3 p -73.54 -28.8 25.66 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.859 0 N-CA-C 112.621 0.6 . . . . 0.0 112.621 178.03 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' B' B ' 19' ' ' CYS . . . . . . . . . . . . . 2.0 t -77.48 -21.31 53.01 Favored 'General case' 0 N--CA 1.471 0.597 0 C-N-CA 124.216 1.006 . . . . 0.0 113.26 174.722 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.024 0 C-N-CA 124.159 0.885 . . . . 0.0 113.581 174.208 . . . . . . . . 0 0 . 1 . 026 nuclear orig core ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 11.6 tt . . . . . 0 N--CA 1.48 1.044 0 N-CA-C 113.475 0.917 . . . . 0.0 113.475 . . . . . . . . . 0 0 . 1 . 026 nuclear orig core ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 40.0 t -56.23 139.87 15.05 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.83 0 C-N-CA 124.237 1.015 . . . . 0.0 110.027 169.838 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . 0.306 9.8 pt-20 48.75 24.07 0.76 Allowed 'General case' 0 CA--C 1.55 0.981 0 C-N-CA 126.422 1.889 . . . . 0.0 115.647 -169.411 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 18.2 mm-40 -112.09 -54.39 2.62 Favored 'General case' 0 N--CA 1.471 0.613 0 C-N-CA 124.764 1.226 . . . . 0.0 110.303 162.45 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 5.4 t -87.31 -6.15 58.63 Favored 'General case' 0 CA--C 1.55 0.953 0 N-CA-C 113.906 1.076 . . . . 0.0 113.906 172.993 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 49.1 t -92.62 -24.33 18.72 Favored 'General case' 0 CA--C 1.546 0.81 0 O-C-N 121.336 -0.853 . . . . 0.0 113.146 174.618 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 5.4 t -93.97 -28.9 15.53 Favored 'General case' 0 N--CA 1.481 1.108 0 C-N-CA 124.269 1.027 . . . . 0.0 113.209 176.858 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 74.4 m -139.27 162.21 35.56 Favored 'General case' 0 N--CA 1.47 0.547 0 C-N-CA 126.587 1.955 . . . . 0.0 110.758 179.426 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 57.4 mt -67.27 142.08 17.05 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.701 0 O-C-N 121.506 -0.746 . . . . 0.0 110.492 174.033 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 17.4 p -124.02 149.94 45.48 Favored 'General case' 0 CA--C 1.541 0.629 0 C-N-CA 124.278 1.031 . . . . 0.0 112.296 168.236 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 54.4 m -95.01 155.41 16.74 Favored 'General case' 0 N--CA 1.474 0.765 0 C-N-CA 124.85 1.26 . . . . 0.0 111.061 171.447 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 2.5 pt? -56.72 -31.04 64.12 Favored 'General case' 0 N--CA 1.474 0.775 0 N-CA-C 113.88 1.067 . . . . 0.0 113.88 178.519 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 26.3 m-85 -61.71 -20.89 63.98 Favored 'General case' 0 CA--C 1.544 0.731 0 C-N-CA 125.064 1.346 . . . . 0.0 113.717 174.74 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 30.3 mt-30 -98.56 -41.6 7.67 Favored 'General case' 0 N--CA 1.468 0.434 0 C-N-CA 126.5 1.92 . . . . 0.0 111.262 171.745 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . 0.256 0.1 OUTLIER -79.96 -25.79 40.25 Favored 'General case' 0 CA--C 1.549 0.918 0 C-N-CA 123.727 0.811 . . . . 0.0 112.688 -168.068 . . . . . . . . 3 3 . 1 . 026 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 39.0 mt-10 -68.64 -24.77 64.59 Favored 'General case' 0 N--CA 1.476 0.841 0 O-C-N 120.85 -1.156 . . . . 0.0 113.237 169.581 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 88.2 m-20 -61.32 -32.32 72.18 Favored 'General case' 0 N--CA 1.474 0.744 0 O-C-N 121.152 -0.967 . . . . 0.0 112.0 -179.857 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 74.5 m-85 -70.77 -19.84 62.67 Favored 'General case' 0 CA--C 1.541 0.6 0 N-CA-C 114.054 1.131 . . . . 0.0 114.054 175.274 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 42.7 t -80.13 -49.32 11.87 Favored 'General case' 0 CA--C 1.54 0.572 0 C-N-CA 123.498 0.719 . . . . 0.0 111.07 169.55 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 25.2 t-20 . . . . . 0 CA--C 1.541 0.619 0 C-N-CA 124.729 1.212 . . . . 0.0 111.525 178.171 . . . . . . . . 0 0 . 1 . 026 nuclear orig core ' B' B ' 1' ' ' PHE . . . . . . . . . . . . . 73.6 t80 . . . . . 0 CA--C 1.54 0.559 0 N-CA-C 112.315 0.487 . . . . 0.0 112.315 . . . . . . . . . 0 0 . 1 . 026 nuclear orig core ' B' B ' 2' ' ' VAL . . . . . . . . . . . . . 17.9 m -133.35 135.65 55.93 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.755 0 C-N-CA 125.277 1.431 . . . . 0.0 109.715 167.359 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' B' B ' 3' ' ' ASN . . . . . . . . . . . . . 8.5 m-20 -61.47 141.64 57.55 Favored 'General case' 0 CA--C 1.534 0.344 0 CA-C-O 122.114 0.959 . . . . 0.0 113.335 -172.388 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' B' B ' 4' ' ' GLN . . . . . . . . . . . . . 5.9 pt20 -169.58 171.11 7.76 Favored 'General case' 0 CA--C 1.54 0.585 0 C-N-CA 127.933 2.493 . . . . 0.0 107.863 177.63 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' B' B ' 5' ' ' HIS . . . . . . . . . . . . . 17.5 m-70 -78.24 132.72 37.65 Favored 'General case' 0 CA--C 1.541 0.608 0 C-N-CA 124.34 1.056 . . . . 0.0 110.382 164.059 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 3.1 mm? -122.44 142.41 50.58 Favored 'General case' 0 CA--C 1.539 0.552 0 C-N-CA 125.556 1.543 . . . . 0.0 111.109 175.014 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' B' B ' 7' ' ' CYS . . . . . . . . . . . . . 86.9 m -140.63 154.9 46.62 Favored 'General case' 0 CA--C 1.541 0.622 0 C-N-CA 124.465 1.106 . . . . 0.0 112.279 -173.551 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' B' B ' 8' ' ' GLY . . . . . . . . . . . . . . . 53.8 -133.58 44.03 Favored Glycine 0 CA--C 1.535 1.32 0 C-N-CA 124.437 1.018 . . . . 0.0 114.606 169.656 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' B' B ' 9' ' ' SER . . . . . . . . . . . . . 39.9 p -62.74 -30.48 71.46 Favored 'General case' 0 N--CA 1.472 0.655 0 N-CA-C 113.446 0.906 . . . . 0.0 113.446 176.359 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' B' B ' 10' ' ' HIS . . . . . . . . . . . . . 26.5 m-70 -69.49 -30.32 68.16 Favored 'General case' 0 N--CA 1.469 0.49 0 O-C-N 121.444 -0.785 . . . . 0.0 111.74 177.296 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 45.6 tp -68.93 -41.05 78.62 Favored 'General case' 0 CA--C 1.538 0.501 0 C-N-CA 124.179 0.992 . . . . 0.0 112.099 173.095 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 71.6 t -66.23 -43.21 91.9 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.787 0 C-N-CA 123.764 0.825 . . . . 0.0 111.015 176.487 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 40.4 mt-10 -66.59 -43.45 84.84 Favored 'General case' 0 N--CA 1.469 0.507 0 O-C-N 121.468 -0.77 . . . . 0.0 111.987 174.421 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -62.2 -39.51 93.01 Favored 'General case' 0 CA--C 1.537 0.454 0 CA-C-N 119.139 0.882 . . . . 0.0 112.735 179.753 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 2.1 pp -74.22 -34.13 63.59 Favored 'General case' 0 N--CA 1.468 0.462 0 CA-C-N 118.938 0.79 . . . . 0.0 111.834 -179.747 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' B' B ' 16' ' ' TYR . . . . . . . . . . . . . 2.9 t80 -63.64 -44.64 93.28 Favored 'General case' 0 CA--C 1.541 0.621 0 C-N-CA 123.794 0.838 . . . . 0.0 111.14 171.177 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 47.3 mt -69.54 -44.13 71.56 Favored 'General case' 0 N--CA 1.469 0.498 0 C-N-CA 124.191 0.996 . . . . 0.0 112.635 -177.632 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' B' B ' 18' ' ' VAL . . . . . . . . . . . . . 5.3 p -74.58 -28.16 21.84 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.819 0 C-N-CA 123.106 0.562 . . . . 0.0 112.252 -178.447 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' B' B ' 19' ' ' CYS . . . . . . . . . . . . . 48.8 t -75.5 -37.76 59.95 Favored 'General case' 0 CA--C 1.536 0.412 0 C-N-CA 123.823 0.849 . . . . 0.0 112.434 172.198 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.537 1.432 0 O-C-N 121.687 -0.633 . . . . 0.0 113.336 -176.696 . . . . . . . . 0 0 . 1 . 027 nuclear orig core ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 11.6 tt . . . . . 0 N--CA 1.475 0.787 0 N-CA-C 113.695 0.998 . . . . 0.0 113.695 . . . . . . . . . 0 0 . 1 . 027 nuclear orig core ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 7.5 p -59.94 -45.19 95.51 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.705 0 C-N-CA 123.923 0.889 . . . . 0.0 111.642 178.604 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 34.6 tt0 -73.77 -32.48 63.82 Favored 'General case' 0 CA--C 1.539 0.535 0 O-C-N 121.172 -0.955 . . . . 0.0 112.68 179.851 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 74.2 mt-30 -75.38 -33.24 61.01 Favored 'General case' 0 CA--C 1.538 0.505 0 N-CA-C 113.399 0.889 . . . . 0.0 113.399 176.127 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 71.3 m -109.4 -31.39 7.55 Favored 'General case' 0 CA--C 1.549 0.909 0 N-CA-C 116.266 1.951 . . . . 0.0 116.266 -171.613 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 89.5 m -87.2 -26.77 23.37 Favored 'General case' 0 N--CA 1.479 0.991 0 CA-C-N 120.989 1.722 . . . . 0.0 113.797 -171.199 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 13.8 t -111.26 -17.34 13.19 Favored 'General case' 0 N--CA 1.482 1.142 0 C-N-CA 125.229 1.412 . . . . 0.0 113.504 -176.218 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 80.0 p -144.16 173.47 11.71 Favored 'General case' 0 CA--C 1.541 0.596 0 C-N-CA 126.405 1.882 . . . . 0.0 110.697 171.594 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 51.3 mt -73.81 139.27 19.65 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.74 0 O-C-N 121.185 -0.947 . . . . 0.0 111.321 -179.402 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 18.5 p -124.71 158.84 32.26 Favored 'General case' 0 CA--C 1.541 0.602 0 C-N-CA 124.65 1.18 . . . . 0.0 112.126 166.83 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 64.7 p -98.64 166.81 11.15 Favored 'General case' 0 N--CA 1.468 0.46 0 C-N-CA 124.659 1.184 . . . . 0.0 112.563 179.26 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 2.2 pp -57.99 -29.88 65.61 Favored 'General case' 0 CA--C 1.543 0.706 0 C-N-CA 123.439 0.695 . . . . 0.0 112.275 169.124 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 48.0 m-85 -73.95 -29.03 61.79 Favored 'General case' 0 CA--C 1.539 0.52 0 C-N-CA 123.93 0.892 . . . . 0.0 112.514 179.961 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 42.0 mt-30 -73.47 -42.83 61.4 Favored 'General case' 0 N--CA 1.468 0.444 0 C-N-CA 123.843 0.857 . . . . 0.0 111.167 172.257 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 98.9 mt -57.84 -34.54 69.81 Favored 'General case' 0 CA--C 1.545 0.779 0 N-CA-C 113.282 0.845 . . . . 0.0 113.282 176.378 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 41.7 mt-10 -61.25 -21.72 64.15 Favored 'General case' 0 N--CA 1.475 0.796 0 N-CA-C 113.99 1.107 . . . . 0.0 113.99 175.801 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 80.6 m-20 -71.75 -23.47 61.61 Favored 'General case' 0 CA--C 1.544 0.735 0 O-C-N 121.254 -0.904 . . . . 0.0 112.347 174.524 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 55.4 m-85 -102.08 -24.52 13.95 Favored 'General case' 0 N--CA 1.471 0.605 0 N-CA-C 114.924 1.453 . . . . 0.0 114.924 -171.055 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 19.2 p -73.69 -27.23 61.11 Favored 'General case' 0 CA--C 1.54 0.583 0 N-CA-C 114.752 1.39 . . . . 0.0 114.752 -174.102 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 57.6 t-20 . . . . . 0 CA--C 1.544 0.713 0 C-N-CA 126.22 1.808 . . . . 0.0 112.629 -174.205 . . . . . . . . 0 0 . 1 . 027 nuclear orig core ' B' B ' 1' ' ' PHE . . . . . . . . . . . . . 43.6 t80 . . . . . 0 CA--C 1.542 0.664 0 N-CA-C 112.126 0.417 . . . . 0.0 112.126 . . . . . . . . . 0 0 . 1 . 027 nuclear orig core ' B' B ' 2' ' ' VAL . . . . . . . . . . . . . 47.7 t -136.4 129.47 46.19 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.821 0 C-N-CA 125.419 1.488 . . . . 0.0 108.915 172.779 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' B' B ' 3' ' ' ASN . . . . . . . . . . . . . 75.6 m-20 -59.8 136.9 58.14 Favored 'General case' 0 N--CA 1.469 0.49 0 CA-C-O 121.149 0.499 . . . . 0.0 111.817 178.898 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' B' B ' 4' ' ' GLN . . . . . . . . . . . . . 6.7 pt20 -164.99 163.92 20.67 Favored 'General case' 0 CA--C 1.536 0.442 0 C-N-CA 125.194 1.397 . . . . 0.0 110.347 179.687 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' B' B ' 5' ' ' HIS . . . . . . . . . . . . . 21.1 m-70 -72.0 72.41 0.85 Allowed 'General case' 0 CA--C 1.549 0.906 0 C-N-CA 125.945 1.698 . . . . 0.0 111.635 171.621 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 74.0 mt -66.16 131.31 45.87 Favored 'General case' 0 N--CA 1.471 0.585 0 C-N-CA 124.629 1.171 . . . . 0.0 112.36 -178.11 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' B' B ' 7' ' ' CYS . . . . . . . . . . . . . 2.4 t -151.83 161.82 42.04 Favored 'General case' 0 CA--C 1.541 0.615 0 N-CA-C 112.951 0.723 . . . . 0.0 112.951 176.799 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' B' B ' 8' ' ' GLY . . . . . . . . . . . . . . . 57.76 -136.18 51.03 Favored Glycine 0 CA--C 1.534 1.236 0 C-N-CA 124.135 0.874 . . . . 0.0 113.12 178.165 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' B' B ' 9' ' ' SER . . . . . . . . . . . . . 25.5 m -57.65 -36.73 72.25 Favored 'General case' 0 N--CA 1.472 0.671 0 C-N-CA 123.795 0.838 . . . . 0.0 112.787 178.533 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' B' B ' 10' ' ' HIS . . . . . . . . . . . . . 32.4 m170 -62.99 -37.48 87.3 Favored 'General case' 0 N--CA 1.471 0.622 0 C-N-CA 123.644 0.778 . . . . 0.0 112.354 178.164 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 48.4 tp -68.2 -42.19 80.22 Favored 'General case' 0 CA--C 1.537 0.465 0 C-N-CA 124.068 0.947 . . . . 0.0 112.073 176.76 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 86.7 t -66.45 -43.8 90.83 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.741 0 C-N-CA 123.786 0.834 . . . . 0.0 111.022 176.538 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 42.7 mt-10 -64.5 -41.64 96.31 Favored 'General case' 0 N--CA 1.469 0.493 0 O-C-N 121.534 -0.729 . . . . 0.0 112.055 176.472 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -64.6 -36.5 84.45 Favored 'General case' 0 CA--C 1.543 0.673 0 N-CA-C 113.37 0.878 . . . . 0.0 113.37 -178.1 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 3.8 pp -80.95 -31.2 35.0 Favored 'General case' 0 N--CA 1.47 0.555 0 O-C-N 121.56 -0.712 . . . . 0.0 112.208 178.83 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' B' B ' 16' ' ' TYR . . . . . . . . . . . . . 5.7 t80 -63.44 -39.63 94.99 Favored 'General case' 0 CA--C 1.542 0.667 0 C-N-CA 124.693 1.197 . . . . 0.0 111.12 169.561 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 36.7 mt -71.97 -48.61 43.79 Favored 'General case' 0 N--CA 1.466 0.367 0 C-N-CA 124.5 1.12 . . . . 0.0 112.856 178.076 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' B' B ' 18' ' ' VAL . . . . . . . . . . . . . 4.4 p -65.84 -32.78 59.68 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.812 0 CA-C-N 118.332 0.514 . . . . 0.0 112.029 -174.646 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' B' B ' 19' ' ' CYS . . . . . . . . . . . . . 84.0 m -93.07 -27.44 16.96 Favored 'General case' 0 CA--C 1.538 0.483 0 N-CA-C 113.351 0.871 . . . . 0.0 113.351 -179.689 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.533 1.186 0 C-N-CA 124.497 1.046 . . . . 0.0 114.473 173.226 . . . . . . . . 0 0 . 1 . 028 nuclear orig core ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 5.1 tp . . . . . 0 N--CA 1.48 1.036 0 CA-C-O 121.127 0.489 . . . . 0.0 110.88 . . . . . . . . . 0 0 . 1 . 028 nuclear orig core ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 44.3 t -65.86 153.76 8.17 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.702 0 C-N-CA 124.933 1.293 . . . . 0.0 110.132 165.709 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 39.5 mt-10 66.07 -60.31 0.3 Allowed 'General case' 0 N--CA 1.47 0.57 0 C-N-CA 127.828 2.451 . . . . 0.0 112.392 -161.59 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 3.5 mp0 -59.54 -40.58 87.71 Favored 'General case' 0 N--CA 1.474 0.748 0 CA-C-N 119.396 0.998 . . . . 0.0 113.69 -171.55 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 19.1 m -94.3 -4.7 48.25 Favored 'General case' 0 CA--C 1.546 0.823 0 N-CA-C 114.856 1.428 . . . . 0.0 114.856 174.716 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 51.2 t -99.92 -31.33 11.53 Favored 'General case' 0 CA--C 1.545 0.786 0 C-N-CA 125.166 1.386 . . . . 0.0 113.724 179.826 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 6.2 t -78.92 -20.46 49.3 Favored 'General case' 0 N--CA 1.479 0.977 0 C-N-CA 125.202 1.401 . . . . 0.0 113.352 -175.44 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 8.6 t -145.96 175.75 10.21 Favored 'General case' 0 CA--C 1.537 0.48 0 C-N-CA 126.126 1.771 . . . . 0.0 110.255 172.168 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 26.2 mt -61.26 138.02 22.63 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.65 0 C-N-CA 123.611 0.764 . . . . 0.0 110.886 176.18 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 6.6 t -136.27 143.75 44.41 Favored 'General case' 0 CA--C 1.54 0.569 0 C-N-CA 124.949 1.299 . . . . 0.0 111.378 177.722 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 40.0 m -125.46 160.16 30.15 Favored 'General case' 0 N--CA 1.473 0.679 0 C-N-CA 125.012 1.325 . . . . 0.0 112.254 -167.3 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 2.2 pp -57.56 -32.92 67.61 Favored 'General case' 0 N--CA 1.473 0.707 0 O-C-N 121.41 -0.806 . . . . 0.0 113.111 -174.424 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 52.5 m-85 -65.56 -23.02 66.75 Favored 'General case' 0 CA--C 1.54 0.585 0 C-N-CA 125.175 1.39 . . . . 0.0 113.392 177.434 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 40.7 mt-30 -82.55 -46.72 13.0 Favored 'General case' 0 N--CA 1.466 0.348 0 C-N-CA 124.747 1.219 . . . . 0.0 110.442 170.981 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 86.5 mt -56.22 -31.11 63.2 Favored 'General case' 0 N--CA 1.474 0.741 0 C-N-CA 125.049 1.34 . . . . 0.0 113.455 179.664 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 62.1 mt-10 -59.53 -27.02 65.82 Favored 'General case' 0 CA--C 1.544 0.72 0 N-CA-C 113.917 1.08 . . . . 0.0 113.917 175.029 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 43.7 m-80 -73.2 -29.71 63.01 Favored 'General case' 0 N--CA 1.473 0.692 0 O-C-N 121.18 -0.95 . . . . 0.0 111.967 175.658 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 83.4 m-85 -78.74 -31.93 46.52 Favored 'General case' 0 CA--C 1.541 0.608 0 C-N-CA 124.673 1.189 . . . . 0.0 111.643 174.358 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 41.3 t -64.84 -45.75 84.82 Favored 'General case' 0 CA--C 1.545 0.767 0 C-N-CA 124.422 1.089 . . . . 0.0 111.851 168.934 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 50.8 t-20 . . . . . 0 CA--C 1.543 0.691 0 C-N-CA 125.147 1.379 . . . . 0.0 111.456 179.308 . . . . . . . . 0 0 . 1 . 028 nuclear orig core ' B' B ' 1' ' ' PHE . . . . . . . . . . . . . 42.3 t80 . . . . . 0 CA--C 1.541 0.634 0 N-CA-C 112.052 0.39 . . . . 0.0 112.052 . . . . . . . . . 0 0 . 1 . 028 nuclear orig core ' B' B ' 2' ' ' VAL . . . . . . . . . . . . . 48.3 t -136.32 127.49 42.9 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.927 0 C-N-CA 125.363 1.465 . . . . 0.0 109.367 174.639 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' B' B ' 3' ' ' ASN . . . . . . . . . . . . . 38.6 m-20 -63.02 138.5 58.58 Favored 'General case' 0 N--CA 1.469 0.485 0 C-N-CA 123.094 0.557 . . . . 0.0 111.467 -179.539 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' B' B ' 4' ' ' GLN . . . . . . . . . . . . . 8.0 pt20 -165.54 163.55 19.41 Favored 'General case' 0 CA--C 1.532 0.28 0 C-N-CA 124.617 1.167 . . . . 0.0 110.792 -177.098 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' B' B ' 5' ' ' HIS . . . . . . . . . . . . . 24.4 m-70 -69.58 77.76 0.42 Allowed 'General case' 0 CA--C 1.544 0.745 0 C-N-CA 125.882 1.673 . . . . 0.0 110.238 164.79 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 42.3 mt -62.53 119.34 8.99 Favored 'General case' 0 N--CA 1.47 0.545 0 C-N-CA 124.931 1.293 . . . . 0.0 112.535 -172.755 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' B' B ' 7' ' ' CYS . . . . . . . . . . . . . 0.7 OUTLIER -163.56 178.72 7.76 Favored 'General case' 0 CA--C 1.542 0.651 0 C-N-CA 123.952 0.901 . . . . 0.0 111.564 -174.981 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' B' B ' 8' ' ' GLY . . . . . . . . . . . . . . . 61.03 37.62 94.18 Favored Glycine 0 N--CA 1.478 1.435 0 O-C-N 120.661 -1.275 . . . . 0.0 115.006 170.47 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' B' B ' 9' ' ' SER . . . . . . . . . . . . . 1.6 t 70.22 -8.82 0.81 Allowed 'General case' 0 N--CA 1.476 0.861 0 C-N-CA 128.653 2.781 . . . . 0.0 116.255 -172.426 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' B' B ' 10' ' ' HIS . . . . . . . . . . . . . 28.6 m-70 -62.11 -32.0 72.51 Favored 'General case' 0 N--CA 1.479 0.983 0 O-C-N 120.125 -1.61 . . . . 0.0 111.273 167.439 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 55.3 tp -58.33 -42.83 87.65 Favored 'General case' 0 CA--C 1.538 0.496 0 C-N-CA 125.634 1.574 . . . . 0.0 112.869 170.965 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 47.3 t -70.64 -43.19 77.77 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.664 0 C-N-CA 124.031 0.932 . . . . 0.0 110.337 179.508 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 45.3 mt-10 -63.89 -40.57 96.83 Favored 'General case' 0 N--CA 1.471 0.594 0 O-C-N 121.801 -0.562 . . . . 0.0 112.286 175.303 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -64.37 -39.17 93.35 Favored 'General case' 0 CA--C 1.541 0.632 0 O-C-N 121.346 -0.847 . . . . 0.0 112.935 179.559 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 3.6 pp -79.62 -30.21 41.31 Favored 'General case' 0 N--CA 1.468 0.461 0 O-C-N 121.811 -0.555 . . . . 0.0 111.731 178.278 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' B' B ' 16' ' ' TYR . . . . . . . . . . . . . 3.6 t80 -62.34 -40.78 97.49 Favored 'General case' 0 CA--C 1.54 0.577 0 C-N-CA 123.814 0.845 . . . . 0.0 111.423 170.033 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 40.4 mt -67.94 -47.67 68.05 Favored 'General case' 0 N--CA 1.467 0.399 0 C-N-CA 123.284 0.634 . . . . 0.0 112.128 -179.499 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' B' B ' 18' ' ' VAL . . . . . . . . . . . . . 5.1 p -73.22 -27.39 24.02 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.953 0 N-CA-C 113.183 0.809 . . . . 0.0 113.183 -177.451 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' B' B ' 19' ' ' CYS . . . . . . . . . . . . . 6.5 t -90.43 -37.18 14.13 Favored 'General case' 0 CA--C 1.542 0.655 0 C-N-CA 124.009 0.924 . . . . 0.0 112.78 -179.624 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.536 1.362 0 C-N-CA 124.959 1.266 . . . . 0.0 115.097 -178.076 . . . . . . . . 0 0 . 1 . 029 nuclear orig core ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 4.7 tp . . . . . 0 N--CA 1.48 1.067 0 N-CA-C 114.814 1.413 . . . . 0.0 114.814 . . . . . . . . . 0 0 . 1 . 029 nuclear orig core ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 7.1 p -68.4 -46.25 80.9 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.872 0 O-C-N 121.264 -0.897 . . . . 0.0 111.968 178.62 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 41.4 tt0 -67.69 -29.15 68.35 Favored 'General case' 0 CA--C 1.543 0.697 0 C-N-CA 124.169 0.988 . . . . 0.0 112.525 177.682 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 6.3 tp-100 -63.35 -40.02 96.13 Favored 'General case' 0 CA--C 1.538 0.496 0 C-N-CA 124.213 1.005 . . . . 0.0 112.178 175.954 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 90.6 m -119.18 -25.22 6.21 Favored 'General case' 0 CA--C 1.544 0.722 0 N-CA-C 116.183 1.92 . . . . 0.0 116.183 -164.377 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 19.9 t -81.37 -30.36 33.74 Favored 'General case' 0 CA--C 1.543 0.71 0 CA-C-N 119.904 1.229 . . . . 0.0 113.012 -170.775 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 10.7 t -101.22 -18.43 16.15 Favored 'General case' 0 N--CA 1.479 0.996 0 C-N-CA 125.153 1.381 . . . . 0.0 113.895 -176.586 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 8.3 t -151.85 167.61 27.75 Favored 'General case' 0 N--CA 1.472 0.648 0 C-N-CA 125.556 1.542 . . . . 0.0 111.303 179.324 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 25.1 mt -61.01 139.15 20.79 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.599 0 C-N-CA 124.322 1.049 . . . . 0.0 111.3 178.389 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 14.4 p -132.55 167.99 19.03 Favored 'General case' 0 CA--C 1.543 0.701 0 C-N-CA 124.193 0.997 . . . . 0.0 112.194 168.794 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 65.4 m -129.19 159.1 37.11 Favored 'General case' 0 N--CA 1.474 0.75 0 C-N-CA 124.8 1.24 . . . . 0.0 112.559 -173.401 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 2.0 pp -58.33 -31.98 68.06 Favored 'General case' 0 N--CA 1.472 0.639 0 C-N-CA 124.081 0.953 . . . . 0.0 113.113 -175.611 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 51.2 m-85 -66.43 -22.12 66.22 Favored 'General case' 0 CA--C 1.54 0.56 0 C-N-CA 125.251 1.421 . . . . 0.0 113.312 177.315 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 38.6 mt-30 -85.69 -40.65 15.92 Favored 'General case' 0 N--CA 1.467 0.413 0 C-N-CA 124.765 1.226 . . . . 0.0 110.8 172.153 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 83.7 mt -60.84 -32.33 71.73 Favored 'General case' 0 CA--C 1.544 0.74 0 C-N-CA 123.491 0.716 . . . . 0.0 112.663 173.728 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 5.0 mm-40 -58.27 -29.49 65.84 Favored 'General case' 0 N--CA 1.473 0.682 0 C-N-CA 124.723 1.209 . . . . 0.0 113.437 171.85 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 83.9 m-20 -69.82 -34.55 73.83 Favored 'General case' 0 CA--C 1.54 0.576 0 O-C-N 120.889 -1.132 . . . . 0.0 111.527 176.773 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 38.6 m-85 -78.45 -27.96 46.53 Favored 'General case' 0 CA--C 1.541 0.62 0 C-N-CA 124.095 0.958 . . . . 0.0 112.367 174.795 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 41.0 t -63.84 -36.93 85.52 Favored 'General case' 0 CA--C 1.546 0.809 0 C-N-CA 123.884 0.874 . . . . 0.0 112.091 167.799 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 CA--C 1.541 0.599 0 C-N-CA 124.676 1.19 . . . . 0.0 112.044 176.543 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' B' B ' 1' ' ' PHE . . . . . . . . . . . . . 37.6 t80 . . . . . 0 CA--C 1.541 0.611 0 N-CA-C 111.994 0.368 . . . . 0.0 111.994 . . . . . . . . . 0 0 . 1 . 029 nuclear orig core ' B' B ' 2' ' ' VAL . . . . . . . . . . . . . 48.3 t -137.75 131.55 43.15 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.838 0 C-N-CA 125.497 1.519 . . . . 0.0 108.652 170.193 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' B' B ' 3' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -56.94 137.88 54.81 Favored 'General case' 0 N--CA 1.47 0.551 0 N-CA-C 113.232 0.826 . . . . 0.0 113.232 177.6 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' B' B ' 4' ' ' GLN . . . . . . . . . . . . . 7.7 pt20 -168.55 160.98 11.33 Favored 'General case' 0 N--CA 1.45 -0.449 0 C-N-CA 126.605 1.962 . . . . 0.0 108.934 -177.963 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' B' B ' 5' ' ' HIS . . . . . . . . . . . . . 10.5 m-70 -61.2 135.83 57.87 Favored 'General case' 0 CA--C 1.541 0.629 0 C-N-CA 124.701 1.201 . . . . 0.0 109.593 161.753 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 63.0 mt -139.46 130.03 25.78 Favored 'General case' 0 N--CA 1.471 0.593 0 C-N-CA 124.963 1.305 . . . . 0.0 110.572 -176.663 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' B' B ' 7' ' ' CYS . . . . . . . . . . . . . 3.0 t -149.53 161.28 42.45 Favored 'General case' 0 CA--C 1.54 0.583 0 C-N-CA 123.41 0.684 . . . . 0.0 112.454 178.765 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' B' B ' 8' ' ' GLY . . . . . . . . . . . . . . . 57.46 -138.34 48.23 Favored Glycine 0 CA--C 1.533 1.211 0 C-N-CA 124.112 0.863 . . . . 0.0 113.07 179.574 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' B' B ' 9' ' ' SER . . . . . . . . . . . . . 21.4 m -57.61 -32.73 67.51 Favored 'General case' 0 N--CA 1.472 0.636 0 C-N-CA 123.958 0.903 . . . . 0.0 113.296 179.447 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' B' B ' 10' ' ' HIS . . . . . . . . . . . . . 29.1 m-70 -67.34 -36.69 81.94 Favored 'General case' 0 N--CA 1.473 0.705 0 O-C-N 121.528 -0.732 . . . . 0.0 112.025 177.885 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 41.3 tp -68.5 -41.93 79.32 Favored 'General case' 0 N--CA 1.469 0.478 0 C-N-CA 123.58 0.752 . . . . 0.0 111.945 174.393 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 85.8 t -62.8 -45.32 99.15 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.794 0 C-N-CA 123.752 0.821 . . . . 0.0 110.888 175.794 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 37.8 mt-10 -64.82 -40.6 95.48 Favored 'General case' 0 CA--C 1.537 0.46 0 O-C-N 121.625 -0.672 . . . . 0.0 112.229 176.77 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -62.49 -39.96 95.18 Favored 'General case' 0 CA--C 1.542 0.669 0 CA-C-N 119.133 0.878 . . . . 0.0 112.826 178.112 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 3.5 pp -78.76 -27.06 44.63 Favored 'General case' 0 CA--C 1.54 0.559 0 O-C-N 121.805 -0.56 . . . . 0.0 112.476 178.04 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' B' B ' 16' ' ' TYR . . . . . . . . . . . . . 1.5 t80 -67.09 -40.99 87.07 Favored 'General case' 0 CA--C 1.537 0.472 0 C-N-CA 123.774 0.829 . . . . 0.0 111.708 169.204 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 39.2 mt -67.77 -44.25 77.9 Favored 'General case' 0 CA--C 1.535 0.393 0 O-C-N 121.413 -0.804 . . . . 0.0 112.127 -178.901 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' B' B ' 18' ' ' VAL . . . . . . . . . . . . . 4.8 p -72.59 -32.81 42.77 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.729 0 C-N-CA 122.834 0.453 . . . . 0.0 112.154 -179.441 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' B' B ' 19' ' ' CYS . . . . . . . . . . . . . 9.1 t -89.35 -40.66 12.62 Favored 'General case' 0 CA--C 1.539 0.556 0 C-N-CA 123.493 0.717 . . . . 0.0 112.897 -175.033 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.533 1.21 0 C-N-CA 124.695 1.141 . . . . 0.0 114.284 176.885 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.681 0 N-CA-C 112.635 -0.186 . . . . 0.0 112.635 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -55.36 -40.93 59.59 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.967 0 C-N-CA 126.124 1.77 . . . . 0.0 113.6 -171.332 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 7.2 p -61.89 -41.79 92.13 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.751 0 C-N-CA 124.123 0.969 . . . . 0.0 112.635 178.479 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 41.2 mt-10 -68.83 -54.09 17.78 Favored 'General case' 0 C--N 1.331 -0.207 0 C-N-CA 123.938 0.895 . . . . 0.0 109.641 174.735 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 18.6 mm100 -54.36 -45.77 72.85 Favored 'General case' 0 CA--C 1.536 0.41 0 C-N-CA 124.384 1.074 . . . . 0.0 112.453 -175.874 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 75.1 m -87.51 -13.5 42.87 Favored 'General case' 0 CA--C 1.538 0.504 0 N-CA-C 114.944 1.461 . . . . 0.0 114.944 -177.516 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 8.3 t -98.37 -20.13 17.34 Favored 'General case' 0 CA--C 1.548 0.875 0 CA-C-N 119.585 1.084 . . . . 0.0 113.045 174.514 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 1.5 t -94.17 -26.95 16.47 Favored 'General case' 0 N--CA 1.478 0.973 0 C-N-CA 125.294 1.438 . . . . 0.0 113.347 174.186 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 67.8 m -135.83 162.55 32.48 Favored 'General case' 0 N--CA 1.473 0.699 0 C-N-CA 126.504 1.922 . . . . 0.0 110.956 176.238 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 53.4 mt -67.57 139.44 20.9 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.729 0 O-C-N 121.301 -0.875 . . . . 0.0 111.486 -179.279 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 57.6 m -125.46 111.51 15.18 Favored 'General case' 0 CA--C 1.535 0.393 0 C-N-CA 124.482 1.113 . . . . 0.0 110.918 168.084 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 3.7 t -72.88 169.99 15.68 Favored 'General case' 0 N--CA 1.468 0.431 0 C-N-CA 123.681 0.793 . . . . 0.0 111.305 167.0 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 2.3 pt? -57.67 -31.0 65.9 Favored 'General case' 0 CA--C 1.542 0.657 0 O-C-N 121.502 -0.749 . . . . 0.0 111.954 170.806 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 26.6 m-85 -68.47 -20.81 64.64 Favored 'General case' 0 N--CA 1.471 0.608 0 C-N-CA 124.28 1.032 . . . . 0.0 113.519 177.984 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 40.2 mt-30 -93.41 -48.32 6.46 Favored 'General case' 0 N--CA 1.468 0.443 0 C-N-CA 125.84 1.656 . . . . 0.0 111.093 174.724 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 95.7 mt -58.61 -35.26 72.18 Favored 'General case' 0 N--CA 1.47 0.552 0 C-N-CA 124.776 1.23 . . . . 0.0 113.6 -178.689 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -60.45 -33.1 72.06 Favored 'General case' 0 N--CA 1.471 0.608 0 N-CA-C 113.749 1.018 . . . . 0.0 113.749 -179.516 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 43.9 m-80 -61.71 -35.96 79.55 Favored 'General case' 0 N--CA 1.472 0.636 0 C-N-CA 123.346 0.658 . . . . 0.0 111.971 178.434 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 96.9 m-85 -75.05 -11.31 60.07 Favored 'General case' 0 CA--C 1.54 0.56 0 N-CA-C 114.581 1.326 . . . . 0.0 114.581 -176.994 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 10.1 t -73.8 -25.08 59.93 Favored 'General case' 0 CA--C 1.546 0.817 0 CA-C-N 118.763 0.71 . . . . 0.0 112.704 174.083 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 25.2 t-20 . . . . . 0 CA--C 1.543 0.691 0 C-N-CA 124.643 1.177 . . . . 0.0 112.264 179.69 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' B' B ' 1' ' ' PHE . . . . . . . . . . . . . 6.5 t80 . . . . . 0 CA--C 1.542 0.652 0 CA-C-O 120.9 0.381 . . . . 0.0 111.902 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' B' B ' 2' ' ' VAL . . . . . . . . . . . . . 7.5 p -145.71 145.83 19.98 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.801 0 C-N-CA 124.821 1.248 . . . . 0.0 111.103 169.336 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 3' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -62.7 130.57 45.56 Favored 'General case' 0 N--CA 1.451 -0.42 0 N-CA-C 113.98 1.104 . . . . 0.0 113.98 -172.647 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 4' ' ' GLN . . . . . . . . . . . . . 7.3 pt20 -162.78 153.11 16.45 Favored 'General case' 0 CA--C 1.537 0.444 0 C-N-CA 125.022 1.329 . . . . 0.0 111.045 -179.539 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 5' ' ' HIS . . . . . . . . . . . . . 31.9 m-70 -71.57 145.03 49.32 Favored 'General case' 0 CA--C 1.541 0.606 0 C-N-CA 124.629 1.171 . . . . 0.0 109.992 161.413 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 70.4 mt -139.71 139.03 36.46 Favored 'General case' 0 N--CA 1.47 0.565 0 C-N-CA 125.656 1.582 . . . . 0.0 111.397 -172.741 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 7' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -136.2 154.17 51.02 Favored 'General case' 0 CA--C 1.542 0.668 0 C-N-CA 124.356 1.062 . . . . 0.0 111.469 -178.272 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 8' ' ' GLY . . . . . . . . . . . . . . . 49.37 -123.89 13.11 Favored Glycine 0 CA--C 1.537 1.457 0 C-N-CA 124.576 1.084 . . . . 0.0 115.37 168.251 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 9' ' ' SER . . . . . . . . . . . . . 35.2 p -62.8 -38.28 90.07 Favored 'General case' 0 N--CA 1.471 0.589 0 C-N-CA 124.866 1.266 . . . . 0.0 113.544 179.138 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 10' ' ' HIS . . . . . . . . . . . . . 32.1 m170 -61.6 -40.23 94.05 Favored 'General case' 0 N--CA 1.471 0.613 0 O-C-N 121.408 -0.807 . . . . 0.0 111.451 174.929 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 58.9 tp -70.45 -46.82 63.1 Favored 'General case' 0 CA--C 1.534 0.358 0 C-N-CA 124.367 1.067 . . . . 0.0 112.65 178.187 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 1.7 p -67.49 -36.51 76.58 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.719 0 CA-C-N 118.094 0.406 . . . . 0.0 111.996 -176.362 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 42.0 mt-10 -68.52 -41.18 80.31 Favored 'General case' 0 CA--C 1.536 0.438 0 O-C-N 121.691 -0.631 . . . . 0.0 112.127 172.471 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -63.19 -37.24 86.44 Favored 'General case' 0 CA--C 1.545 0.772 0 O-C-N 121.131 -0.981 . . . . 0.0 113.145 -179.291 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 4.2 pp -79.77 -28.64 40.33 Favored 'General case' 0 N--CA 1.472 0.667 0 O-C-N 121.608 -0.682 . . . . 0.0 112.671 176.914 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 16' ' ' TYR . . . . . . . . . . . . . 2.5 t80 -65.7 -38.4 89.14 Favored 'General case' 0 CA--C 1.541 0.604 0 C-N-CA 123.574 0.749 . . . . 0.0 111.636 169.259 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 26.6 mt -71.8 -41.28 68.47 Favored 'General case' 0 N--CA 1.467 0.406 0 C-N-CA 123.978 0.911 . . . . 0.0 112.291 -175.249 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 18' ' ' VAL . . . . . . . . . . . . . 10.8 p -71.54 -34.48 53.02 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.689 0 C-N-CA 122.904 0.481 . . . . 0.0 111.821 175.112 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 19' ' ' CYS . . . . . . . . . . . . . 16.3 t -77.26 -34.91 55.65 Favored 'General case' 0 CA--C 1.541 0.609 0 N-CA-C 113.404 0.89 . . . . 0.0 113.404 -179.607 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . 73.35 17.29 78.83 Favored Glycine 0 CA--C 1.538 1.492 0 C-N-CA 124.487 1.042 . . . . 0.0 114.184 -174.972 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 35.4 tt0 -145.17 142.53 29.68 Favored 'General case' 0 CA--C 1.542 0.636 0 C-N-CA 125.532 1.533 . . . . 0.0 111.403 -175.344 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 22' ' ' ARG . . . . . . . . . . . . . 11.2 ptm180 -75.07 -33.87 61.73 Favored 'General case' 0 N--CA 1.478 0.935 0 N-CA-C 115.627 1.714 . . . . 0.0 115.627 -171.293 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . 63.97 -168.67 23.56 Favored Glycine 0 CA--C 1.539 1.59 0 CA-C-N 118.263 0.483 . . . . 0.0 113.041 -162.409 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 24' ' ' DHI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' B' B ' 25' ' ' PHE . . . . . . . . . . . . . 36.9 m-85 -78.38 175.0 10.67 Favored 'General case' 0 CA--C 1.544 0.738 0 C-N-CA 125.403 1.481 . . . . 0.0 112.397 -178.826 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 26' ' ' TYR . . . . . . . . . . . . . 77.1 m-85 -54.47 131.07 41.8 Favored 'General case' 0 CA--C 1.542 0.668 0 C-N-CA 124.019 0.928 . . . . 0.0 111.499 176.335 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 27' ' ' THR . . . . . . . . . . . . . 26.1 m 51.88 80.05 0.32 Allowed Pre-proline 0 N--CA 1.48 1.049 0 C-N-CA 125.518 1.527 . . . . 0.0 111.735 -163.314 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 28' ' ' PRO . . . . . . . . . . . . . 81.1 Cg_exo -53.38 140.17 63.61 Favored 'Trans proline' 0 C--N 1.353 0.772 0 C-N-CA 124.071 3.181 . . . . 0.0 114.261 -177.04 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 14.5 mmmm -108.63 -5.13 16.57 Favored 'General case' 0 N--CA 1.481 1.094 0 N-CA-C 114.564 1.32 . . . . 0.0 114.564 -174.827 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 30' ' ' THR . . . . . . . . . . . . . 8.4 m . . . . . 0 C--O 1.251 1.175 0 C-N-CA 125.764 1.626 . . . . 0.0 111.501 -174.232 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.625 0 N-CA-C 111.507 -0.637 . . . . 0.0 111.507 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 18.3 tt -75.89 -44.7 38.5 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.806 0 N-CA-C 114.002 1.112 . . . . 0.0 114.002 -166.941 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 7.5 p -58.52 -46.24 89.91 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.135 0 C-N-CA 124.351 1.06 . . . . 0.0 112.278 -179.825 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 24.4 pt-20 -76.03 6.42 5.28 Favored 'General case' 0 N--CA 1.475 0.807 0 C-N-CA 127.052 2.141 . . . . 0.0 114.666 179.257 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 29.0 mm-40 -122.49 -38.85 2.61 Favored 'General case' 0 N--CA 1.468 0.436 0 C-N-CA 124.983 1.313 . . . . 0.0 112.116 172.855 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 82.5 m -99.97 -36.26 9.44 Favored 'General case' 0 CA--C 1.535 0.397 0 C-N-CA 124.439 1.096 . . . . 0.0 113.095 -173.201 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 79.5 m -82.35 -19.05 40.03 Favored 'General case' 0 N--CA 1.476 0.84 0 CA-C-N 119.28 0.945 . . . . 0.0 112.18 177.168 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 39.3 p -93.47 -36.17 12.59 Favored 'General case' 0 N--CA 1.473 0.7 0 C-N-CA 126.452 1.901 . . . . 0.0 113.315 -177.36 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 74.5 m -150.24 -177.25 5.83 Favored 'General case' 0 N--CA 1.472 0.653 0 C-N-CA 127.03 2.132 . . . . 0.0 110.728 -171.21 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 17.7 mt -70.3 132.23 33.42 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.568 0 O-C-N 120.887 -1.133 . . . . 0.0 109.369 162.228 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 31.6 p -113.65 147.69 37.67 Favored 'General case' 0 CA--C 1.537 0.475 0 C-N-CA 124.913 1.285 . . . . 0.0 110.789 168.675 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 23.7 m -88.19 162.29 16.77 Favored 'General case' 0 N--CA 1.47 0.545 0 C-N-CA 123.457 0.703 . . . . 0.0 112.348 -170.943 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 7.6 mp -49.53 -48.21 48.39 Favored 'General case' 0 N--CA 1.47 0.553 0 C-N-CA 125.142 1.377 . . . . 0.0 111.551 175.795 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 33.9 m-85 -61.79 -38.64 88.86 Favored 'General case' 0 CA--C 1.536 0.427 0 C-N-CA 124.997 1.319 . . . . 0.0 112.282 -178.104 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 46.3 mt-30 -69.62 -47.17 64.36 Favored 'General case' 0 N--CA 1.467 0.409 0 O-C-N 121.641 -0.662 . . . . 0.0 110.484 176.706 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 63.5 mt -58.94 -38.52 79.19 Favored 'General case' 0 CA--C 1.544 0.718 0 C-N-CA 123.239 0.615 . . . . 0.0 112.55 176.347 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 37.3 mt-10 -66.06 -33.99 77.06 Favored 'General case' 0 CA--C 1.544 0.715 0 C-N-CA 123.597 0.759 . . . . 0.0 112.899 174.317 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 9.7 m-80 -62.31 -25.52 67.92 Favored 'General case' 0 N--CA 1.474 0.768 0 O-C-N 120.747 -1.22 . . . . 0.0 112.555 173.679 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 44.8 m-85 -84.16 -14.41 50.28 Favored 'General case' 0 CA--C 1.54 0.584 0 N-CA-C 113.808 1.04 . . . . 0.0 113.808 178.219 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 6.2 p -90.7 -36.26 14.44 Favored 'General case' 0 CA--C 1.543 0.687 0 CA-C-N 119.182 0.901 . . . . 0.0 112.431 165.984 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 49.7 t-20 . . . . . 0 CA--C 1.541 0.629 0 C-N-CA 125.413 1.485 . . . . 0.0 111.542 179.711 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' B' B ' 1' ' ' PHE . . . . . . . . . . . . . 53.7 t80 . . . . . 0 CA--C 1.542 0.658 0 N-CA-C 112.137 0.421 . . . . 0.0 112.137 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' B' B ' 2' ' ' VAL . . . . . . . . . . . . . 48.1 t -135.23 126.66 46.09 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.896 0 C-N-CA 125.301 1.441 . . . . 0.0 109.352 174.293 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 3' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -63.98 146.44 54.09 Favored 'General case' 0 N--CA 1.467 0.401 0 N-CA-C 113.898 1.073 . . . . 0.0 113.898 179.64 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 4' ' ' GLN . . . . . . . . . . . . . 6.1 pt20 -165.91 165.22 18.32 Favored 'General case' 0 CA--C 1.539 0.536 0 C-N-CA 128.468 2.707 . . . . 0.0 107.467 -177.254 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 5' ' ' HIS . . . . . 0.412 ' H ' ' CD2' ' B' ' 5' ' ' HIS . 2.8 m-70 -62.38 131.81 50.51 Favored 'General case' 0 N--CA 1.47 0.569 0 C-N-CA 124.848 1.259 . . . . 0.0 109.403 167.714 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 34.6 mt -144.65 132.26 21.03 Favored 'General case' 0 N--CA 1.469 0.522 0 C-N-CA 125.249 1.42 . . . . 0.0 110.681 -168.114 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 7' ' ' CYS . . . . . . . . . . . . . 1.5 t -148.18 163.67 36.27 Favored 'General case' 0 CA--C 1.539 0.557 0 N-CA-C 113.062 0.764 . . . . 0.0 113.062 177.155 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 8' ' ' GLY . . . . . . . . . . . . . . . 58.19 -138.1 49.21 Favored Glycine 0 CA--C 1.534 1.256 0 C-N-CA 124.184 0.897 . . . . 0.0 113.389 178.491 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 9' ' ' SER . . . . . . . . . . . . . 42.3 p -59.12 -32.27 69.69 Favored 'General case' 0 N--CA 1.472 0.655 0 C-N-CA 124.046 0.938 . . . . 0.0 113.516 177.796 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 10' ' ' HIS . . . . . . . . . . . . . 25.2 m-70 -67.14 -35.86 80.62 Favored 'General case' 0 N--CA 1.469 0.513 0 O-C-N 121.552 -0.718 . . . . 0.0 111.675 177.842 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 2.4 tm? -71.83 -40.76 68.85 Favored 'General case' 0 CA--C 1.539 0.534 0 C-N-CA 124.896 1.278 . . . . 0.0 112.261 175.792 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 84.1 t -62.97 -43.35 98.99 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.943 0 C-N-CA 123.295 0.638 . . . . 0.0 111.354 174.162 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 38.8 mt-10 -68.04 -41.54 81.92 Favored 'General case' 0 CA--C 1.538 0.512 0 O-C-N 121.536 -0.728 . . . . 0.0 112.276 174.108 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -61.96 -41.76 98.35 Favored 'General case' 0 CA--C 1.537 0.449 0 O-C-N 121.149 -0.969 . . . . 0.0 113.162 -179.338 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 2.6 pp -71.72 -34.38 69.53 Favored 'General case' 0 N--CA 1.468 0.458 0 CA-C-N 118.79 0.723 . . . . 0.0 111.426 178.974 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 16' ' ' TYR . . . . . . . . . . . . . 1.5 t80 -62.75 -42.5 99.71 Favored 'General case' 0 CA--C 1.541 0.61 0 C-N-CA 123.939 0.895 . . . . 0.0 111.435 171.669 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 43.6 mt -71.51 -44.56 64.43 Favored 'General case' 0 N--CA 1.469 0.479 0 C-N-CA 124.563 1.145 . . . . 0.0 112.703 -177.54 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 18' ' ' VAL . . . . . . . . . . . . . 9.3 p -73.45 -29.32 27.12 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.831 0 C-N-CA 123.038 0.535 . . . . 0.0 112.183 -179.104 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 19' ' ' CYS . . . . . . . . . . . . . 35.8 t -75.86 -34.1 60.04 Favored 'General case' 0 CA--C 1.539 0.535 0 C-N-CA 124.085 0.954 . . . . 0.0 112.544 171.291 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . 65.66 36.5 92.45 Favored Glycine 0 CA--C 1.531 1.084 0 N-CA-C 111.366 -0.694 . . . . 0.0 111.366 -166.275 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 42.5 tt0 -60.48 132.65 54.58 Favored 'General case' 0 CA--C 1.546 0.798 0 C-N-CA 124.496 1.118 . . . . 0.0 112.599 -173.295 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 22' ' ' ARG . . . . . . . . . . . . . 9.3 mpt_? -80.48 35.49 0.35 Allowed 'General case' 0 N--CA 1.479 1.017 0 C-N-CA 126.111 1.765 . . . . 0.0 113.04 -176.712 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . -56.33 125.91 39.27 Favored Glycine 0 CA--C 1.533 1.218 0 C-N-CA 124.929 1.252 . . . . 0.0 113.028 -173.097 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 24' ' ' DHI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' B' B ' 25' ' ' PHE . . . . . . . . . . . . . 31.0 m-85 53.48 117.61 0.0 OUTLIER 'General case' 0 CA--C 1.544 0.717 0 C-N-CA 130.799 3.64 . . . . 0.0 117.448 165.243 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 26' ' ' TYR . . . . . . . . . . . . . 24.2 m-85 -133.33 152.59 51.93 Favored 'General case' 0 N--CA 1.471 0.614 0 C-N-CA 124.84 1.256 . . . . 0.0 112.568 -163.124 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 27' ' ' THR . . . . . . . . . . . . . 12.6 p -77.48 -40.74 2.22 Favored Pre-proline 0 N--CA 1.475 0.797 0 N-CA-C 115.918 1.822 . . . . 0.0 115.918 177.526 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 28' ' ' PRO . . . . . . . . . . . . . 80.7 Cg_endo -74.97 144.86 30.86 Favored 'Trans proline' 0 CA--C 1.541 0.849 0 C-N-CA 122.5 2.133 . . . . 0.0 112.051 174.22 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 64.6 tttm 61.51 147.01 0.02 OUTLIER 'General case' 0 N--CA 1.481 1.099 0 C-N-CA 128.141 2.576 . . . . 0.0 115.417 -176.896 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 30' ' ' THR . . . . . . . . . . . . . 31.8 m . . . . . 0 N--CA 1.479 1.013 0 C-N-CA 125.938 1.695 . . . . 0.0 111.244 168.319 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.621 0 N-CA-C 112.273 -0.331 . . . . 0.0 112.273 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 1.1 tp -93.8 -44.96 13.76 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.095 0 C-N-CA 125.374 1.47 . . . . 0.0 113.402 -168.613 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 18.5 t -62.48 -46.68 95.81 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.295 0 O-C-N 120.701 -1.249 . . . . 0.0 110.687 178.993 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 17.7 pt-20 -69.16 5.77 1.14 Allowed 'General case' 0 CA--C 1.549 0.916 0 C-N-CA 126.201 1.8 . . . . 0.0 115.346 175.714 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 24.5 mm-40 -127.56 -31.05 2.52 Favored 'General case' 0 N--CA 1.473 0.721 0 C-N-CA 124.777 1.231 . . . . 0.0 113.296 174.691 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 67.4 m -110.27 -19.65 12.92 Favored 'General case' 0 CA--C 1.543 0.693 0 N-CA-C 115.698 1.74 . . . . 0.0 115.698 179.31 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 48.2 t -103.96 -37.51 7.36 Favored 'General case' 0 N--CA 1.476 0.845 0 CA-C-N 119.571 1.078 . . . . 0.0 113.165 -179.535 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 4.8 t -74.8 -24.6 58.67 Favored 'General case' 0 N--CA 1.481 1.114 0 O-C-N 121.552 -0.717 . . . . 0.0 112.749 176.099 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 8.7 t -151.22 168.82 23.55 Favored 'General case' 0 CA--C 1.538 0.498 0 C-N-CA 126.463 1.905 . . . . 0.0 110.323 172.753 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 47.5 mt -67.7 142.71 16.15 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.741 0 C-N-CA 124.512 1.125 . . . . 0.0 111.663 -177.867 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 9.4 p -133.1 169.86 16.24 Favored 'General case' 0 CA--C 1.546 0.791 0 C-N-CA 124.925 1.29 . . . . 0.0 111.863 167.311 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 34.3 m -113.58 159.64 19.4 Favored 'General case' 0 N--CA 1.474 0.769 0 C-N-CA 125.46 1.504 . . . . 0.0 111.418 -178.388 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 2.6 pt? -57.68 -30.92 65.86 Favored 'General case' 0 CA--C 1.542 0.657 0 N-CA-C 113.559 0.948 . . . . 0.0 113.559 177.205 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 25.5 m-85 -64.83 -25.3 67.85 Favored 'General case' 0 CA--C 1.539 0.55 0 C-N-CA 124.71 1.204 . . . . 0.0 113.292 175.197 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 19.4 mm100 -80.14 -46.28 16.7 Favored 'General case' 0 N--CA 1.467 0.41 0 C-N-CA 123.982 0.913 . . . . 0.0 110.655 171.11 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 81.4 mt -53.76 -33.45 55.84 Favored 'General case' 0 N--CA 1.474 0.77 0 C-N-CA 124.933 1.293 . . . . 0.0 113.758 179.65 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 39.5 mt-10 -57.73 -22.48 46.8 Favored 'General case' 0 N--CA 1.478 0.973 0 N-CA-C 114.436 1.273 . . . . 0.0 114.436 175.649 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 44.8 m-80 -81.18 -33.56 32.94 Favored 'General case' 0 N--CA 1.47 0.556 0 CA-C-N 119.156 0.889 . . . . 0.0 112.111 177.643 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 94.0 m-85 -75.27 -15.99 60.48 Favored 'General case' 0 N--CA 1.472 0.653 0 C-N-CA 124.332 1.053 . . . . 0.0 113.57 -176.559 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 32.9 t -65.76 -25.34 67.22 Favored 'General case' 0 CA--C 1.548 0.868 0 C-N-CA 124.054 0.942 . . . . 0.0 112.552 166.518 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 15.8 p30 . . . . . 0 CA--C 1.54 0.575 0 C-N-CA 126.189 1.796 . . . . 0.0 111.632 -171.486 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' B' B ' 1' ' ' PHE . . . . . . . . . . . . . 34.0 t80 . . . . . 0 CA--C 1.54 0.562 0 N-CA-C 111.89 0.33 . . . . 0.0 111.89 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' B' B ' 2' ' ' VAL . . . . . . . . . . . . . 17.7 m -135.89 136.0 50.24 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.744 0 C-N-CA 125.082 1.353 . . . . 0.0 110.216 167.475 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 3' ' ' ASN . . . . . . . . . . . . . 10.9 m-20 -63.19 143.02 58.15 Favored 'General case' 0 CA--C 1.535 0.385 0 CA-C-O 121.794 0.806 . . . . 0.0 112.387 -178.85 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 4' ' ' GLN . . . . . . . . . . . . . 6.9 pt20 -167.87 163.53 13.95 Favored 'General case' 0 CA--C 1.537 0.457 0 C-N-CA 126.627 1.971 . . . . 0.0 109.089 -177.827 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 5' ' ' HIS . . . . . . . . . . . . . 30.4 m-70 -72.62 72.53 1.03 Allowed 'General case' 0 CA--C 1.545 0.769 0 C-N-CA 125.206 1.402 . . . . 0.0 111.369 170.66 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 70.9 mt -62.24 135.99 57.73 Favored 'General case' 0 N--CA 1.47 0.56 0 C-N-CA 124.942 1.297 . . . . 0.0 111.447 178.295 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 7' ' ' CYS . . . . . . . . . . . . . 0.9 OUTLIER -148.41 157.69 43.63 Favored 'General case' 0 N--CA 1.47 0.573 0 N-CA-C 113.235 0.828 . . . . 0.0 113.235 -177.599 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 8' ' ' GLY . . . . . . . . . . . . . . . 54.16 -133.95 45.13 Favored Glycine 0 CA--C 1.533 1.213 0 C-N-CA 124.23 0.919 . . . . 0.0 113.584 174.863 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 9' ' ' SER . . . . . . . . . . . . . 25.4 m -57.14 -36.67 70.99 Favored 'General case' 0 N--CA 1.473 0.683 0 C-N-CA 123.891 0.876 . . . . 0.0 112.97 178.152 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 10' ' ' HIS . . . . . . . . . . . . . 31.2 m170 -64.97 -34.52 78.62 Favored 'General case' 0 N--CA 1.472 0.668 0 C-N-CA 123.539 0.736 . . . . 0.0 112.464 178.548 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 31.6 tp -71.03 -40.08 71.95 Favored 'General case' 0 CA--C 1.539 0.522 0 C-N-CA 124.08 0.952 . . . . 0.0 111.945 176.161 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 77.6 t -66.06 -43.29 92.47 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.746 0 C-N-CA 123.711 0.804 . . . . 0.0 111.135 174.176 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 44.7 mt-10 -64.06 -42.45 97.0 Favored 'General case' 0 N--CA 1.47 0.546 0 O-C-N 121.541 -0.725 . . . . 0.0 112.106 175.814 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -63.4 -39.27 94.04 Favored 'General case' 0 CA--C 1.543 0.676 0 O-C-N 121.315 -0.865 . . . . 0.0 113.136 -179.09 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 3.9 pp -77.17 -30.62 55.03 Favored 'General case' 0 N--CA 1.47 0.53 0 O-C-N 121.726 -0.609 . . . . 0.0 112.099 177.138 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 16' ' ' TYR . . . . . . . . . . . . . 1.8 t80 -63.93 -41.86 97.53 Favored 'General case' 0 CA--C 1.539 0.553 0 C-N-CA 123.544 0.738 . . . . 0.0 111.563 170.333 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 36.2 mt -69.02 -44.1 73.44 Favored 'General case' 0 N--CA 1.467 0.375 0 C-N-CA 124.066 0.946 . . . . 0.0 112.308 -177.373 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 18' ' ' VAL . . . . . . . . . . . . . 5.6 p -72.8 -30.48 33.1 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.75 0 N-CA-C 112.307 0.484 . . . . 0.0 112.307 179.61 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 19' ' ' CYS . . . . . . . . . . . . . 9.2 t -81.66 -29.04 33.27 Favored 'General case' 0 CA--C 1.542 0.646 0 N-CA-C 113.312 0.856 . . . . 0.0 113.312 177.405 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . 77.44 9.64 86.72 Favored Glycine 0 CA--C 1.539 1.543 0 C-N-CA 124.996 1.284 . . . . 0.0 114.208 -173.064 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 8.7 tp10 -155.19 154.25 31.97 Favored 'General case' 0 CA--C 1.542 0.654 0 C-N-CA 126.907 2.083 . . . . 0.0 109.521 -177.477 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 22' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -72.19 -3.67 24.77 Favored 'General case' 0 N--CA 1.475 0.815 0 N-CA-C 114.944 1.461 . . . . 0.0 114.944 -176.063 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . 74.59 -160.69 53.16 Favored Glycine 0 CA--C 1.529 0.936 0 C-N-CA 125.411 1.481 . . . . 0.0 115.164 172.299 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 24' ' ' DHI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' B' B ' 25' ' ' PHE . . . . . . . . . . . . . 40.4 m-85 -80.54 173.14 12.89 Favored 'General case' 0 CA--C 1.543 0.687 0 C-N-CA 125.435 1.494 . . . . 0.0 112.665 -177.714 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 26' ' ' TYR . . . . . . . . . . . . . 65.3 m-85 -62.2 152.42 33.32 Favored 'General case' 0 CA--C 1.542 0.665 0 C-N-CA 124.214 1.006 . . . . 0.0 113.161 179.839 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 27' ' ' THR . . . . . . . . . . . . . 3.2 m -65.24 -41.54 53.05 Favored Pre-proline 0 N--CA 1.478 0.944 0 N-CA-C 115.265 1.58 . . . . 0.0 115.265 -175.003 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 28' ' ' PRO . . . . . . . . . . . . . 51.4 Cg_exo -65.99 149.15 86.32 Favored 'Trans proline' 0 C--N 1.354 0.839 0 C-N-CA 122.726 2.284 . . . . 0.0 114.841 -173.992 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 9.6 mtmp? -141.77 152.77 44.07 Favored 'General case' 0 N--CA 1.473 0.721 0 C-N-CA 127.013 2.125 . . . . 0.0 109.632 172.007 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 30' ' ' THR . . . . . . . . . . . . . 23.3 p . . . . . 0 C--O 1.252 1.194 0 C-N-CA 128.673 2.789 . . . . 0.0 113.766 -4.667 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.642 0 N-CA-C 112.039 -0.425 . . . . 0.0 112.039 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 9.8 tt -54.98 -40.07 52.11 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.06 0 C-N-CA 125.501 1.52 . . . . 0.0 114.393 -175.009 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 15.7 t -57.97 -51.37 71.42 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.923 0 C-N-CA 123.915 0.886 . . . . 0.0 111.403 -165.884 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 12.4 pt-20 -92.36 19.63 6.93 Favored 'General case' 0 N--CA 1.477 0.878 0 C-N-CA 125.438 1.495 . . . . 0.0 113.628 178.13 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 20.7 mm-40 -120.13 -18.73 8.0 Favored 'General case' 0 N--CA 1.472 0.634 0 C-N-CA 124.887 1.275 . . . . 0.0 112.745 170.017 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 56.1 m -115.95 -29.36 6.37 Favored 'General case' 0 CA--C 1.54 0.57 0 C-N-CA 126.707 2.003 . . . . 0.0 112.357 175.162 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 2.3 t -100.95 170.82 8.03 Favored 'General case' 0 CA--C 1.542 0.643 0 N-CA-C 107.831 -1.174 . . . . 0.0 107.831 155.144 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER 60.65 -33.08 0.07 Allowed 'General case' 0 N--CA 1.484 1.24 0 C-N-CA 127.812 2.445 . . . . 0.0 115.446 -163.644 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 22.7 m -147.49 160.87 42.12 Favored 'General case' 0 N--CA 1.469 0.521 0 C-N-CA 127.396 2.278 . . . . 0.0 111.057 171.807 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 68.4 mt -70.59 145.22 12.94 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.796 0 C-N-CA 125.276 1.43 . . . . 0.0 111.887 -178.337 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 15.3 p -127.67 174.56 8.99 Favored 'General case' 0 CA--C 1.544 0.724 0 C-N-CA 124.959 1.303 . . . . 0.0 112.442 166.896 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 66.9 m -123.34 166.37 15.43 Favored 'General case' 0 N--CA 1.472 0.665 0 C-N-CA 125.913 1.685 . . . . 0.0 112.022 -176.987 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 2.4 pt? -52.87 -33.71 51.19 Favored 'General case' 0 N--CA 1.471 0.619 0 C-N-CA 123.916 0.887 . . . . 0.0 113.331 174.116 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 28.6 m-85 -60.02 -26.91 66.46 Favored 'General case' 0 CA--C 1.542 0.644 0 C-N-CA 124.992 1.317 . . . . 0.0 113.561 177.266 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 29.6 mm100 -88.98 -46.75 8.64 Favored 'General case' 0 N--CA 1.468 0.46 0 C-N-CA 124.489 1.116 . . . . 0.0 111.41 171.703 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 52.4 mt -61.53 -34.93 76.36 Favored 'General case' 0 CA--C 1.544 0.736 0 C-N-CA 123.698 0.799 . . . . 0.0 113.061 -176.857 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 36.4 mt-10 -69.82 -10.75 59.61 Favored 'General case' 0 CA--C 1.547 0.828 0 C-N-CA 125.166 1.386 . . . . 0.0 114.312 174.112 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 80.3 m-20 -92.83 -34.65 13.76 Favored 'General case' 0 CA--C 1.543 0.682 0 C-N-CA 124.139 0.976 . . . . 0.0 112.397 170.711 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 33.0 m-85 -74.21 -24.99 59.41 Favored 'General case' 0 N--CA 1.474 0.735 0 N-CA-C 113.602 0.964 . . . . 0.0 113.602 -174.555 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 24.9 p -68.73 -26.43 65.25 Favored 'General case' 0 CA--C 1.544 0.719 0 C-N-CA 124.619 1.168 . . . . 0.0 114.09 173.996 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 CA--C 1.545 0.779 0 C-N-CA 127.715 2.406 . . . . 0.0 113.723 -178.562 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 1' ' ' PHE . . . . . . . . . . . . . 70.0 t80 . . . . . 0 CA--C 1.543 0.689 0 N-CA-C 112.352 0.501 . . . . 0.0 112.352 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' B' B ' 2' ' ' VAL . . . . . . . . . . . . . 50.8 t -135.52 128.35 47.6 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.84 0 C-N-CA 125.564 1.546 . . . . 0.0 108.924 172.591 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 3' ' ' ASN . . . . . . . . . . . . . 26.0 m120 -60.05 139.55 57.39 Favored 'General case' 0 CA--C 1.535 0.39 0 CA-C-O 121.71 0.767 . . . . 0.0 112.878 -178.801 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 4' ' ' GLN . . . . . . . . . . . . . 6.5 pt20 -167.34 157.99 11.37 Favored 'General case' 0 CA--C 1.536 0.408 0 C-N-CA 126.668 1.987 . . . . 0.0 109.042 179.428 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 5' ' ' HIS . . . . . . . . . . . . . 39.4 m-70 -67.5 137.48 55.84 Favored 'General case' 0 N--CA 1.468 0.453 0 C-N-CA 123.061 0.545 . . . . 0.0 110.011 163.859 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 71.9 mt -133.86 124.61 26.77 Favored 'General case' 0 N--CA 1.465 0.324 0 C-N-CA 125.697 1.599 . . . . 0.0 109.823 -176.16 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 7' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -140.8 153.47 45.84 Favored 'General case' 0 CA--C 1.54 0.592 0 C-N-CA 124.015 0.926 . . . . 0.0 111.924 -169.972 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 8' ' ' GLY . . . . . . . . . . . . . . . 52.63 -132.16 39.7 Favored Glycine 0 CA--C 1.536 1.377 0 C-N-CA 124.039 0.828 . . . . 0.0 113.907 174.65 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 9' ' ' SER . . . . . . . . . . . . . 25.4 m -61.12 -33.06 72.79 Favored 'General case' 0 N--CA 1.474 0.744 0 O-C-N 121.74 -0.859 . . . . 0.0 113.224 177.896 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 10' ' ' HIS . . . . . . . . . . . . . 30.5 m170 -65.94 -32.99 74.8 Favored 'General case' 0 N--CA 1.473 0.706 0 C-N-CA 123.661 0.785 . . . . 0.0 112.334 178.168 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 54.2 tp -67.5 -44.44 78.47 Favored 'General case' 0 CA--C 1.537 0.466 0 C-N-CA 124.157 0.983 . . . . 0.0 111.917 174.452 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 63.2 t -65.19 -41.79 92.55 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.724 0 C-N-CA 124.028 0.931 . . . . 0.0 110.929 177.511 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 21.9 mm-40 -65.75 -45.61 81.94 Favored 'General case' 0 N--CA 1.468 0.435 0 O-C-N 121.64 -0.663 . . . . 0.0 111.991 174.834 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -63.14 -40.05 96.46 Favored 'General case' 0 CA--C 1.538 0.512 0 O-C-N 121.359 -0.838 . . . . 0.0 113.095 -176.794 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 3.8 pp -73.18 -34.66 66.12 Favored 'General case' 0 N--CA 1.469 0.509 0 CA-C-N 118.768 0.713 . . . . 0.0 111.791 177.758 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 16' ' ' TYR . . . . . . . . . . . . . 0.6 OUTLIER -61.75 -46.61 88.85 Favored 'General case' 0 CA--C 1.536 0.411 0 C-N-CA 123.194 0.598 . . . . 0.0 110.839 171.867 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 43.9 mt -68.05 -41.35 82.16 Favored 'General case' 0 CA--C 1.536 0.407 0 C-N-CA 124.125 0.97 . . . . 0.0 112.738 -175.74 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 18' ' ' VAL . . . . . . . . . . . . . 4.3 p -77.96 -28.12 15.23 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.744 0 N-CA-C 112.842 0.682 . . . . 0.0 112.842 -177.362 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 19' ' ' CYS . . . . . . . . . . . . . 47.2 t -99.11 -33.81 10.64 Favored 'General case' 0 CA--C 1.541 0.606 0 N-CA-C 114.52 1.304 . . . . 0.0 114.52 -176.198 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . 78.95 19.57 72.45 Favored Glycine 0 CA--C 1.539 1.555 0 C-N-CA 124.655 1.121 . . . . 0.0 114.19 -170.785 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 4.0 tp10 -145.0 135.4 24.2 Favored 'General case' 0 N--CA 1.472 0.639 0 C-N-CA 126.208 1.803 . . . . 0.0 109.887 -173.472 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 22' ' ' ARG . . . . . . . . . . . . . 6.4 ptm180 -76.27 -27.41 56.67 Favored 'General case' 0 N--CA 1.481 1.111 0 C-N-CA 130.188 3.395 . . . . 0.0 115.349 -0.494 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . 61.3 -154.69 37.2 Favored Glycine 0 CA--C 1.535 1.302 0 C-N-CA 123.745 0.688 . . . . 0.0 114.143 -176.26 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 24' ' ' DHI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' B' B ' 25' ' ' PHE . . . . . . . . . . . . . 17.8 m-85 -107.96 146.29 32.65 Favored 'General case' 0 CA--C 1.539 0.546 0 C-N-CA 125.544 1.537 . . . . 0.0 112.532 -173.806 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 26' ' ' TYR . . . . . . . . . . . . . 27.7 m-85 -130.2 158.22 40.31 Favored 'General case' 0 N--CA 1.473 0.703 0 C-N-CA 125.13 1.372 . . . . 0.0 112.406 -176.04 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 27' ' ' THR . . . . . . . . . . . . . 21.7 p -109.5 114.92 56.73 Favored Pre-proline 0 N--CA 1.475 0.797 0 C-N-CA 124.964 1.305 . . . . 0.0 110.933 173.024 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 28' ' ' PRO . . . . . . . . . . . . . 76.0 Cg_exo -57.57 132.63 51.56 Favored 'Trans proline' 0 CA--C 1.539 0.728 0 C-N-CA 123.07 2.514 . . . . 0.0 112.676 174.423 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 9.4 ptpp? -153.83 160.82 42.35 Favored 'General case' 0 N--CA 1.475 0.788 0 C-N-CA 125.729 1.612 . . . . 0.0 111.996 -176.545 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 30' ' ' THR . . . . . . . . . . . . . 20.1 p . . . . . 0 C--O 1.253 1.269 0 C-N-CA 125.943 1.697 . . . . 0.0 113.231 177.857 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.484 1.839 0 N-CA-C 112.326 -0.31 . . . . 0.0 112.326 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 15.0 tt -57.16 -36.21 50.86 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.172 0 C-N-CA 124.844 1.258 . . . . 0.0 114.078 -174.667 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 3.9 p -56.17 -38.0 52.16 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.932 0 C-N-CA 124.302 1.041 . . . . 0.0 112.35 175.365 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 34.0 mt-10 -78.32 -2.94 40.54 Favored 'General case' 0 N--CA 1.476 0.849 0 C-N-CA 125.473 1.509 . . . . 0.0 114.182 177.051 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 16.8 tp60 -105.69 -30.11 9.66 Favored 'General case' 0 CA--C 1.54 0.594 0 C-N-CA 125.171 1.388 . . . . 0.0 112.492 170.351 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -126.51 -12.16 6.16 Favored 'General case' 0 CA--C 1.547 0.846 0 N-CA-C 116.538 2.051 . . . . 0.0 116.538 -167.465 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 48.5 t -102.04 -30.28 11.28 Favored 'General case' 0 N--CA 1.476 0.863 0 CA-C-N 119.766 1.166 . . . . 0.0 112.13 172.575 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 30.8 p -70.81 -38.6 73.31 Favored 'General case' 0 N--CA 1.474 0.765 0 C-N-CA 125.932 1.693 . . . . 0.0 112.386 175.124 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 75.6 m -146.46 168.24 21.66 Favored 'General case' 0 N--CA 1.468 0.425 0 C-N-CA 128.335 2.654 . . . . 0.0 109.746 177.384 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 71.6 mt -61.21 140.75 18.4 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.774 0 C-N-CA 123.529 0.732 . . . . 0.0 110.396 172.149 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 4.9 p -121.89 153.65 38.15 Favored 'General case' 0 CA--C 1.54 0.565 0 C-N-CA 123.627 0.771 . . . . 0.0 112.059 164.37 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 50.4 m -92.59 156.62 16.99 Favored 'General case' 0 N--CA 1.47 0.566 0 C-N-CA 124.44 1.096 . . . . 0.0 110.581 172.264 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 1.8 pp -58.52 -31.85 68.29 Favored 'General case' 0 N--CA 1.471 0.587 0 O-C-N 121.526 -0.734 . . . . 0.0 112.627 -178.3 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 41.4 m-85 -65.57 -24.39 67.08 Favored 'General case' 0 CA--C 1.542 0.668 0 C-N-CA 124.848 1.259 . . . . 0.0 113.729 178.094 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 39.2 mt-30 -85.49 -41.63 15.17 Favored 'General case' 0 N--CA 1.47 0.565 0 C-N-CA 125.111 1.365 . . . . 0.0 111.022 171.398 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . 0.258 0.1 OUTLIER -67.67 -26.17 66.07 Favored 'General case' 0 CA--C 1.557 1.22 0 C-N-CA 124.088 0.955 . . . . 0.0 111.501 178.697 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 31.8 mt-10 -64.83 -20.85 66.62 Favored 'General case' 0 N--CA 1.474 0.731 0 O-C-N 120.125 -1.609 . . . . 0.0 114.329 167.84 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 89.7 m-20 -63.24 -27.99 69.73 Favored 'General case' 0 N--CA 1.473 0.719 0 CA-C-N 120.68 1.582 . . . . 0.0 111.514 175.32 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 40.7 m-85 -80.78 -18.05 48.9 Favored 'General case' 0 CA--C 1.543 0.685 0 C-N-CA 124.258 1.023 . . . . 0.0 113.694 174.425 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 45.9 t -77.63 -44.68 27.44 Favored 'General case' 0 CA--C 1.544 0.741 0 C-N-CA 124.354 1.061 . . . . 0.0 111.411 166.366 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 51.6 t-20 . . . . . 0 CA--C 1.542 0.639 0 C-N-CA 125.218 1.407 . . . . 0.0 111.352 178.923 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' B' B ' 1' ' ' PHE . . . . . . . . . . . . . 24.2 t80 . . . . . 0 CA--C 1.541 0.609 0 CA-C-O 120.883 0.373 . . . . 0.0 111.997 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' B' B ' 2' ' ' VAL . . . . . . . . . . . . . 7.3 p -148.12 140.63 18.56 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.784 0 C-N-CA 124.686 1.194 . . . . 0.0 110.538 166.7 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 3' ' ' ASN . . . . . . . . . . . . . 25.2 m-20 -68.66 142.56 55.04 Favored 'General case' 0 N--CA 1.449 -0.486 0 CA-C-O 122.186 0.994 . . . . 0.0 113.344 -172.108 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 4' ' ' GLN . . . . . . . . . . . . . 5.9 pt20 -167.88 170.25 10.82 Favored 'General case' 0 CA--C 1.539 0.52 0 C-N-CA 127.653 2.381 . . . . 0.0 107.956 179.812 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 5' ' ' HIS . . . . . . . . . . . . . 15.9 m-70 -76.35 129.7 36.99 Favored 'General case' 0 CA--C 1.541 0.624 0 C-N-CA 124.052 0.941 . . . . 0.0 109.862 164.224 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 3.2 mm? -116.63 141.78 47.75 Favored 'General case' 0 N--CA 1.468 0.433 0 C-N-CA 125.392 1.477 . . . . 0.0 110.523 173.081 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 7' ' ' CYS . . . . . . . . . . . . . 0.9 OUTLIER -150.12 155.79 40.47 Favored 'General case' 0 CA--C 1.54 0.578 0 N-CA-C 112.952 0.723 . . . . 0.0 112.952 -177.234 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 8' ' ' GLY . . . . . . . . . . . . . . . 54.22 -133.59 45.59 Favored Glycine 0 CA--C 1.534 1.243 0 C-N-CA 124.254 0.931 . . . . 0.0 113.636 174.781 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 9' ' ' SER . . . . . . . . . . . . . 19.4 m -56.87 -35.9 69.45 Favored 'General case' 0 N--CA 1.473 0.681 0 C-N-CA 123.977 0.911 . . . . 0.0 112.929 177.595 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 10' ' ' HIS . . . . . . . . . . . . . 28.9 m170 -67.01 -28.8 68.54 Favored 'General case' 0 N--CA 1.472 0.662 0 C-N-CA 123.467 0.707 . . . . 0.0 112.627 177.757 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 34.3 tp -77.0 -36.8 56.14 Favored 'General case' 0 CA--C 1.538 0.503 0 C-N-CA 124.073 0.949 . . . . 0.0 112.163 175.066 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 79.6 t -64.46 -41.89 93.63 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.795 0 C-N-CA 123.559 0.744 . . . . 0.0 110.506 171.281 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 45.2 mt-10 -64.37 -42.33 96.24 Favored 'General case' 0 N--CA 1.469 0.496 0 O-C-N 121.582 -0.699 . . . . 0.0 112.015 173.132 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -61.18 -38.82 87.86 Favored 'General case' 0 CA--C 1.541 0.617 0 CA-C-N 119.262 0.937 . . . . 0.0 112.939 178.385 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 15' ' ' LEU . . . . . . . . . . . . 0.252 2.8 pp -78.9 -30.0 44.64 Favored 'General case' 0 N--CA 1.467 0.418 0 N-CA-C 112.704 0.631 . . . . 0.0 112.704 178.409 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 16' ' ' TYR . . . . . . . . . . . . . 1.2 t80 -61.15 -46.44 90.52 Favored 'General case' 0 CA--C 1.539 0.538 0 C-N-CA 123.143 0.577 . . . . 0.0 111.059 166.484 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 42.3 mt -68.39 -42.55 78.92 Favored 'General case' 0 CA--C 1.536 0.415 0 C-N-CA 124.029 0.932 . . . . 0.0 112.67 -175.379 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 18' ' ' VAL . . . . . . . . . . . . . 1.9 p -73.73 -30.43 28.9 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.842 0 N-CA-C 112.552 0.575 . . . . 0.0 112.552 -179.622 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 19' ' ' CYS . . . . . . . . . . . . . 7.8 t -93.04 -30.76 15.14 Favored 'General case' 0 CA--C 1.542 0.64 0 C-N-CA 124.562 1.145 . . . . 0.0 113.883 -175.209 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . 77.45 9.52 86.79 Favored Glycine 0 CA--C 1.537 1.466 0 C-N-CA 125.151 1.358 . . . . 0.0 115.065 -175.927 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 38.9 tt0 -98.41 125.29 43.52 Favored 'General case' 0 N--CA 1.473 0.679 0 CA-C-N 118.971 1.386 . . . . 0.0 112.016 -175.742 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 22' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -86.26 14.6 6.25 Favored 'General case' 0 N--CA 1.479 0.991 0 C-N-CA 125.365 1.466 . . . . 0.0 114.262 -170.594 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . -64.64 -32.51 84.44 Favored Glycine 0 CA--C 1.536 1.36 0 C-N-CA 124.546 1.069 . . . . 0.0 114.877 -174.333 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 24' ' ' DHI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' B' B ' 25' ' ' PHE . . . . . . . . . . . . . 37.9 m-85 -72.11 147.82 46.33 Favored 'General case' 0 CA--C 1.541 0.63 0 N-CA-C 113.868 1.062 . . . . 0.0 113.868 -169.631 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 26' ' ' TYR . . . . . . . . . . . . . 60.7 m-85 -110.96 166.54 10.96 Favored 'General case' 0 N--CA 1.472 0.666 0 C-N-CA 126.011 1.724 . . . . 0.0 111.816 174.289 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 27' ' ' THR . . . . . . . . . . . . . 28.4 p -73.79 -33.54 1.84 Allowed Pre-proline 0 N--CA 1.478 0.928 0 N-CA-C 117.524 2.416 . . . . 0.0 117.524 -177.398 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 28' ' ' PRO . . . . . . . . . . . . . 96.6 Cg_endo -79.38 160.85 25.8 Favored 'Trans proline' 0 C--N 1.354 0.846 0 C-N-CA 122.574 2.183 . . . . 0.0 112.84 -179.731 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -143.09 168.08 20.56 Favored 'General case' 0 N--CA 1.476 0.828 0 C-N-CA 125.998 1.719 . . . . 0.0 112.122 177.331 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 30' ' ' THR . . . . . . . . . . . . . 11.5 m . . . . . 0 N--CA 1.486 1.333 0 C-N-CA 127.266 2.227 . . . . 0.0 112.703 -175.084 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.669 0 N-CA-C 112.411 -0.276 . . . . 0.0 112.411 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 11.7 tt -56.19 -39.13 57.5 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.162 0 C-N-CA 125.19 1.396 . . . . 0.0 114.076 -174.233 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 7.3 p -57.44 -36.52 53.51 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.932 0 C-N-CA 124.206 1.002 . . . . 0.0 112.258 178.62 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 34.5 mt-10 -75.83 0.1 19.27 Favored 'General case' 0 N--CA 1.475 0.776 0 C-N-CA 126.625 1.97 . . . . 0.0 114.363 177.798 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 18.9 tp60 -114.73 -36.19 4.6 Favored 'General case' 0 CA--C 1.54 0.575 0 C-N-CA 124.981 1.312 . . . . 0.0 112.189 166.289 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 73.4 m -108.01 -16.3 14.32 Favored 'General case' 0 CA--C 1.538 0.493 0 N-CA-C 115.726 1.75 . . . . 0.0 115.726 -167.429 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 37.3 t -100.13 -24.74 14.5 Favored 'General case' 0 N--CA 1.475 0.796 0 CA-C-N 119.8 1.182 . . . . 0.0 111.682 169.112 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 46.0 p -78.67 -28.23 45.28 Favored 'General case' 0 N--CA 1.474 0.774 0 C-N-CA 126.322 1.849 . . . . 0.0 113.01 174.684 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 8.2 t -150.83 173.89 13.72 Favored 'General case' 0 CA--C 1.538 0.491 0 C-N-CA 126.792 2.037 . . . . 0.0 110.74 178.156 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 45.6 mt -67.35 141.96 17.18 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.594 0 C-N-CA 124.345 1.058 . . . . 0.0 111.297 179.059 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 21.8 m -123.12 138.16 54.73 Favored 'General case' 0 CA--C 1.538 0.483 0 C-N-CA 124.274 1.03 . . . . 0.0 111.776 166.922 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 69.3 m -94.06 161.98 14.06 Favored 'General case' 0 N--CA 1.469 0.488 0 C-N-CA 125.098 1.359 . . . . 0.0 111.147 172.316 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 1.9 pp -57.2 -36.0 70.31 Favored 'General case' 0 CA--C 1.543 0.703 0 C-N-CA 123.604 0.762 . . . . 0.0 112.336 -176.59 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 43.6 m-85 -66.34 -26.82 67.47 Favored 'General case' 0 CA--C 1.539 0.55 0 C-N-CA 125.336 1.454 . . . . 0.0 113.376 178.345 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 44.0 mt-30 -80.05 -45.36 18.45 Favored 'General case' 0 N--CA 1.467 0.415 0 C-N-CA 124.169 0.988 . . . . 0.0 110.288 173.825 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 96.8 mt -60.6 -33.26 72.48 Favored 'General case' 0 CA--C 1.543 0.698 0 C-N-CA 124.141 0.976 . . . . 0.0 113.091 179.455 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 38.0 mt-10 -56.98 -36.87 70.84 Favored 'General case' 0 N--CA 1.477 0.918 0 N-CA-C 113.352 0.871 . . . . 0.0 113.352 172.88 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 86.2 m-20 -66.77 -25.74 66.63 Favored 'General case' 0 CA--C 1.541 0.608 0 O-C-N 121.566 -0.709 . . . . 0.0 112.412 -176.224 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 96.9 m-85 -79.95 -10.27 59.76 Favored 'General case' 0 CA--C 1.541 0.613 0 C-N-CA 124.706 1.202 . . . . 0.0 113.828 178.056 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 13.0 t -74.83 -25.45 59.01 Favored 'General case' 0 CA--C 1.545 0.767 0 O-C-N 121.463 -0.773 . . . . 0.0 112.705 173.194 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 25.4 t-20 . . . . . 0 CA--C 1.544 0.722 0 C-N-CA 124.732 1.213 . . . . 0.0 112.352 179.681 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' B' B ' 1' ' ' PHE . . . . . . . . . . . . . 49.5 t80 . . . . . 0 CA--C 1.54 0.589 0 N-CA-C 112.272 0.471 . . . . 0.0 112.272 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' B' B ' 2' ' ' VAL . . . . . . . . . . . . . 47.9 t -136.24 131.95 49.19 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.777 0 C-N-CA 125.692 1.597 . . . . 0.0 108.24 168.035 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 3' ' ' ASN . . . . . . . . . . . . . 3.4 p-10 -61.78 146.86 48.18 Favored 'General case' 0 N--CA 1.467 0.398 0 CA-C-O 122.308 1.052 . . . . 0.0 113.702 179.998 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 4' ' ' GLN . . . . . . . . . . . . . 22.5 pt20 -168.24 173.48 7.78 Favored 'General case' 0 CA--C 1.538 0.508 0 C-N-CA 127.226 2.211 . . . . 0.0 108.574 178.428 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 5' ' ' HIS . . . . . . . . . . . . . 10.1 m-70 -73.99 134.29 43.06 Favored 'General case' 0 C--N 1.32 -0.696 0 C-N-CA 125.162 1.385 . . . . 0.0 109.627 160.097 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 3.2 mm? -119.14 142.39 47.98 Favored 'General case' 0 CA--C 1.538 0.49 0 C-N-CA 125.927 1.691 . . . . 0.0 110.615 174.915 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 7' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -146.7 158.16 43.85 Favored 'General case' 0 CA--C 1.541 0.617 0 N-CA-C 112.86 0.689 . . . . 0.0 112.86 -177.147 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 8' ' ' GLY . . . . . . . . . . . . . . . 54.37 -136.54 43.21 Favored Glycine 0 CA--C 1.534 1.22 0 C-N-CA 124.38 0.99 . . . . 0.0 113.746 175.412 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 9' ' ' SER . . . . . . . . . . . . . 22.7 m -59.96 -31.92 70.33 Favored 'General case' 0 N--CA 1.473 0.678 0 C-N-CA 123.822 0.849 . . . . 0.0 113.088 177.771 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 10' ' ' HIS . . . . . . . . . . . . . 29.5 m-70 -68.42 -30.94 69.95 Favored 'General case' 0 N--CA 1.473 0.679 0 O-C-N 121.497 -0.752 . . . . 0.0 112.233 178.829 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 57.9 tp -69.18 -41.57 77.0 Favored 'General case' 0 CA--C 1.538 0.481 0 C-N-CA 123.971 0.908 . . . . 0.0 111.912 173.56 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 59.8 t -66.52 -40.8 87.3 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.767 0 C-N-CA 123.88 0.872 . . . . 0.0 111.009 175.607 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 38.9 mt-10 -67.75 -42.48 81.74 Favored 'General case' 0 CA--C 1.536 0.424 0 O-C-N 121.366 -0.834 . . . . 0.0 112.242 175.477 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -63.02 -38.13 89.95 Favored 'General case' 0 CA--C 1.541 0.632 0 CA-C-N 119.389 0.995 . . . . 0.0 113.148 -177.739 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 3.1 pp -76.81 -33.14 58.0 Favored 'General case' 0 N--CA 1.471 0.589 0 O-C-N 121.686 -0.634 . . . . 0.0 111.88 177.728 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 16' ' ' TYR . . . . . . . . . . . . . 2.4 t80 -64.55 -41.26 96.45 Favored 'General case' 0 CA--C 1.54 0.594 0 C-N-CA 123.706 0.802 . . . . 0.0 111.293 172.059 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 37.8 mt -69.55 -44.09 71.62 Favored 'General case' 0 N--CA 1.467 0.422 0 C-N-CA 124.31 1.044 . . . . 0.0 112.169 -178.132 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 18' ' ' VAL . . . . . . . . . . . . . 6.0 p -71.86 -32.15 43.56 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.721 0 N-CA-C 111.94 0.348 . . . . 0.0 111.94 179.176 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 19' ' ' CYS . . . . . . . . . . . . . 15.4 t -76.47 -31.27 57.69 Favored 'General case' 0 CA--C 1.537 0.452 0 C-N-CA 123.247 0.619 . . . . 0.0 112.231 175.917 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . 73.09 3.85 61.72 Favored Glycine 0 CA--C 1.536 1.37 0 C-N-CA 125.756 1.646 . . . . 0.0 115.078 176.969 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 2.3 tp10 51.26 42.15 28.65 Favored 'General case' 0 CA--C 1.552 1.035 0 C-N-CA 126.095 1.758 . . . . 0.0 114.304 178.414 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 22' ' ' ARG . . . . . . . . . . . . . 7.1 mpt_? -67.37 -18.66 65.22 Favored 'General case' 0 N--CA 1.479 1.008 0 N-CA-C 114.682 1.364 . . . . 0.0 114.682 -179.067 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . -174.51 -169.36 36.45 Favored Glycine 0 CA--C 1.534 1.25 0 C-N-CA 124.55 1.071 . . . . 0.0 113.655 -177.77 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 24' ' ' DHI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' B' B ' 25' ' ' PHE . . . . . . . . . . . . . 67.2 m-85 -70.03 153.53 43.08 Favored 'General case' 0 CA--C 1.541 0.601 0 C-N-CA 124.821 1.248 . . . . 0.0 112.994 -179.763 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 26' ' ' TYR . . . . . . . . . . . . . 68.1 m-85 -75.56 157.66 33.57 Favored 'General case' 0 CA--C 1.543 0.673 0 C-N-CA 124.262 1.025 . . . . 0.0 112.592 176.949 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 27' ' ' THR . . . . . . . . . . . . . 4.9 m -65.32 -40.04 40.06 Favored Pre-proline 0 N--CA 1.479 1.023 0 N-CA-C 115.077 1.51 . . . . 0.0 115.077 -176.866 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 28' ' ' PRO . . . . . . . . . . . . . 52.1 Cg_exo -64.56 151.68 84.65 Favored 'Trans proline' 0 C--N 1.354 0.834 0 C-N-CA 123.066 2.511 . . . . 0.0 114.239 -178.536 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 62.9 tttp -143.39 144.7 32.16 Favored 'General case' 0 N--CA 1.474 0.761 0 C-N-CA 125.854 1.662 . . . . 0.0 111.119 178.585 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 30' ' ' THR . . . . . . . . . . . . . 35.6 m . . . . . 0 C--O 1.253 1.273 0 C-N-CA 126.136 1.774 . . . . 0.0 110.975 -177.76 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.479 1.537 0 N-CA-C 111.271 -0.732 . . . . 0.0 111.271 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 4.6 tp -46.01 -53.16 2.54 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.062 0 C-N-CA 126.797 2.039 . . . . 0.0 114.6 -171.429 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 7.3 p -66.72 -43.61 89.97 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.922 0 O-C-N 121.03 -1.044 . . . . 0.0 112.488 -178.156 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 47.4 mt-10 -78.01 8.54 4.6 Favored 'General case' 0 N--CA 1.475 0.82 0 N-CA-C 114.4 1.259 . . . . 0.0 114.4 176.955 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 54.8 mt-30 -117.22 -32.98 4.81 Favored 'General case' 0 CA--C 1.541 0.62 0 C-N-CA 125.287 1.435 . . . . 0.0 112.717 168.913 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 21.5 m -123.96 -4.32 8.05 Favored 'General case' 0 CA--C 1.543 0.687 0 N-CA-C 117.157 2.28 . . . . 0.0 117.157 -170.71 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 52.9 t -95.78 -26.68 15.57 Favored 'General case' 0 N--CA 1.475 0.806 0 CA-C-N 119.661 1.118 . . . . 0.0 111.141 159.254 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 41.6 p -80.29 -22.52 41.49 Favored 'General case' 0 N--CA 1.475 0.819 0 C-N-CA 126.698 1.999 . . . . 0.0 113.435 175.779 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 8.1 t -147.61 -175.93 5.05 Favored 'General case' 0 CA--C 1.54 0.584 0 C-N-CA 127.042 2.137 . . . . 0.0 110.154 175.776 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 35.7 mt -66.56 144.11 14.98 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.752 0 O-C-N 120.958 -1.089 . . . . 0.0 111.825 178.486 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -112.11 146.72 37.5 Favored 'General case' 0 CA--C 1.538 0.501 0 C-N-CA 123.947 0.899 . . . . 0.0 111.588 157.336 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 5.9 m -130.86 164.84 24.34 Favored 'General case' 0 N--CA 1.468 0.464 0 C-N-CA 127.457 2.303 . . . . 0.0 108.81 177.306 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 3.7 pp -58.27 -34.28 70.33 Favored 'General case' 0 N--CA 1.475 0.799 0 O-C-N 121.02 -1.05 . . . . 0.0 112.522 -179.754 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 54.4 m-85 -66.8 -24.54 66.19 Favored 'General case' 0 CA--C 1.542 0.66 0 C-N-CA 124.835 1.254 . . . . 0.0 113.589 175.786 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 38.0 mt-30 -85.84 -47.74 9.41 Favored 'General case' 0 N--CA 1.468 0.46 0 C-N-CA 125.106 1.362 . . . . 0.0 110.502 174.853 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 36.8 mt -61.7 -33.64 74.37 Favored 'General case' 0 CA--C 1.543 0.709 0 C-N-CA 124.932 1.293 . . . . 0.0 112.393 -178.853 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 76.7 mt-10 -60.43 -27.69 67.69 Favored 'General case' 0 N--CA 1.472 0.662 0 N-CA-C 113.634 0.975 . . . . 0.0 113.634 173.13 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 79.4 m-20 -67.95 -25.27 65.36 Favored 'General case' 0 CA--C 1.544 0.722 0 CA-C-N 119.695 1.134 . . . . 0.0 112.11 175.895 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 69.6 m-85 -88.65 -21.21 24.07 Favored 'General case' 0 CA--C 1.542 0.658 0 C-N-CA 124.95 1.3 . . . . 0.0 112.574 176.021 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 51.3 t -72.66 -43.51 63.05 Favored 'General case' 0 CA--C 1.544 0.712 0 C-N-CA 124.388 1.075 . . . . 0.0 111.763 165.475 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 49.1 t-20 . . . . . 0 CA--C 1.543 0.682 0 C-N-CA 125.786 1.634 . . . . 0.0 111.344 -177.949 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' B' B ' 1' ' ' PHE . . . . . . . . . . . . . 6.6 t80 . . . . . 0 CA--C 1.539 0.541 0 CA-C-O 120.952 0.406 . . . . 0.0 111.682 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' B' B ' 2' ' ' VAL . . . . . . . . . . . . . 60.5 t -117.57 128.13 74.86 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.666 0 C-N-CA 125.411 1.484 . . . . 0.0 108.036 165.768 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 3' ' ' ASN . . . . . . . . . . . . . 40.2 p-10 -56.26 148.57 18.19 Favored 'General case' 0 CA--C 1.535 0.391 0 N-CA-C 114.824 1.416 . . . . 0.0 114.824 -176.537 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 4' ' ' GLN . . . . . . . . . . . . . 6.8 pt20 -169.3 161.45 10.05 Favored 'General case' 0 CA--C 1.536 0.439 0 C-N-CA 126.764 2.026 . . . . 0.0 109.346 -172.614 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 5' ' ' HIS . . . . . . . . . . . . . 13.6 m-70 -61.28 132.51 53.84 Favored 'General case' 0 C--N 1.322 -0.627 0 C-N-CA 125.336 1.454 . . . . 0.0 109.557 164.483 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 39.6 mt -136.35 133.55 36.94 Favored 'General case' 0 N--CA 1.472 0.661 0 C-N-CA 124.947 1.299 . . . . 0.0 110.394 -171.831 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 7' ' ' CYS . . . . . . . . . . . . . 94.2 m -135.29 148.05 49.4 Favored 'General case' 0 CA--C 1.537 0.452 0 O-C-N 121.622 -0.674 . . . . 0.0 112.761 -168.616 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 8' ' ' GLY . . . . . . . . . . . . . . . 54.44 -131.76 46.26 Favored Glycine 0 CA--C 1.534 1.221 0 C-N-CA 123.969 0.795 . . . . 0.0 112.966 177.355 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 9' ' ' SER . . . . . . . . . . . . . 24.3 m -56.15 -34.67 66.36 Favored 'General case' 0 N--CA 1.472 0.632 0 C-N-CA 124.164 0.986 . . . . 0.0 113.253 178.696 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 10' ' ' HIS . . . . . . . . . . . . . 28.4 m170 -64.78 -34.54 78.59 Favored 'General case' 0 N--CA 1.472 0.654 0 CA-C-N 119.188 0.904 . . . . 0.0 112.564 179.692 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 36.1 tp -71.96 -39.42 69.37 Favored 'General case' 0 CA--C 1.537 0.479 0 C-N-CA 123.63 0.772 . . . . 0.0 111.78 176.316 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 60.2 t -67.06 -42.78 88.88 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.712 0 C-N-CA 123.896 0.878 . . . . 0.0 110.978 175.486 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 42.9 mt-10 -62.86 -40.91 98.94 Favored 'General case' 0 N--CA 1.468 0.464 0 O-C-N 121.451 -0.781 . . . . 0.0 111.954 175.652 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -63.55 -38.71 92.18 Favored 'General case' 0 CA--C 1.543 0.689 0 N-CA-C 113.117 0.784 . . . . 0.0 113.117 179.87 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 4.6 pp -78.92 -31.29 45.17 Favored 'General case' 0 N--CA 1.47 0.547 0 O-C-N 121.68 -0.638 . . . . 0.0 111.925 176.224 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 16' ' ' TYR . . . . . . . . . . . . . 2.5 t80 -63.51 -41.54 98.5 Favored 'General case' 0 CA--C 1.541 0.598 0 O-C-N 121.404 -0.81 . . . . 0.0 111.697 172.113 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 37.9 mt -67.39 -45.03 77.41 Favored 'General case' 0 N--CA 1.467 0.394 0 C-N-CA 123.933 0.893 . . . . 0.0 112.115 -178.222 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 18' ' ' VAL . . . . . . . . . . . . . 5.4 p -73.52 -30.87 30.97 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.677 0 N-CA-C 112.286 0.476 . . . . 0.0 112.286 179.751 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 19' ' ' CYS . . . . . . . . . . . . . 8.0 t -79.69 -33.9 40.67 Favored 'General case' 0 CA--C 1.542 0.672 0 C-N-CA 123.746 0.818 . . . . 0.0 112.76 179.231 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . -83.73 5.89 76.49 Favored Glycine 0 CA--C 1.538 1.483 0 C-N-CA 125.719 1.628 . . . . 0.0 115.27 177.172 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 31.1 tt0 -65.27 143.43 57.8 Favored 'General case' 0 CA--C 1.544 0.74 0 CA-C-N 119.01 1.405 . . . . 0.0 112.556 -179.003 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 22' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -77.93 11.51 2.19 Favored 'General case' 0 N--CA 1.481 1.076 0 N-CA-C 116.003 1.853 . . . . 0.0 116.003 -174.783 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . -165.15 -175.49 35.88 Favored Glycine 0 CA--C 1.533 1.167 0 C-N-CA 125.549 1.547 . . . . 0.0 112.852 -179.359 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 24' ' ' DHI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' B' B ' 25' ' ' PHE . . . . . . . . . . . . . 44.9 m-85 -65.13 153.38 41.03 Favored 'General case' 0 CA--C 1.542 0.648 0 C-N-CA 124.904 1.282 . . . . 0.0 113.53 -173.82 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 26' ' ' TYR . . . . . . . . . . . . . 57.6 m-85 -67.95 156.11 37.96 Favored 'General case' 0 CA--C 1.539 0.552 0 C-N-CA 124.993 1.317 . . . . 0.0 112.956 -178.637 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 27' ' ' THR . . . . . . . . . . . . . 22.9 m -62.15 -53.99 53.95 Favored Pre-proline 0 N--CA 1.476 0.87 0 CA-C-O 117.861 -1.066 . . . . 0.0 112.641 175.951 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 28' ' ' PRO . . . . . . . . . . . . . 79.6 Cg_endo -70.26 142.51 45.88 Favored 'Trans proline' 0 CA--C 1.54 0.79 0 C-N-CA 122.847 2.365 . . . . 0.0 111.398 167.964 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 65.4 mttp -140.38 154.08 46.59 Favored 'General case' 0 N--CA 1.475 0.821 0 C-N-CA 126.007 1.723 . . . . 0.0 111.066 -179.979 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 30' ' ' THR . . . . . . . . . . . . . 24.2 p . . . . . 0 C--O 1.253 1.283 0 C-N-CA 126.458 1.903 . . . . 0.0 112.369 -178.232 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.603 0 N-CA-C 111.329 -0.709 . . . . 0.0 111.329 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 12.9 tt -48.52 -47.57 14.8 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.021 0 C-N-CA 125.582 1.553 . . . . 0.0 114.547 -170.66 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 7.5 p -64.05 -43.62 97.57 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.923 0 CA-C-N 119.411 1.005 . . . . 0.0 112.107 -175.751 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 47.1 mt-10 -73.54 -8.6 56.6 Favored 'General case' 0 N--CA 1.474 0.741 0 C-N-CA 124.18 0.992 . . . . 0.0 113.584 176.032 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 46.0 mt-30 -104.13 -22.04 13.48 Favored 'General case' 0 CA--C 1.543 0.685 0 C-N-CA 125.121 1.368 . . . . 0.0 113.208 176.349 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 91.6 m -107.88 -30.93 8.22 Favored 'General case' 0 CA--C 1.547 0.838 0 C-N-CA 125.486 1.514 . . . . 0.0 115.035 178.96 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 19.9 t -80.93 -32.51 34.57 Favored 'General case' 0 N--CA 1.473 0.71 0 O-C-N 120.748 -1.22 . . . . 0.0 113.076 -171.283 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 13.9 t -93.13 -23.36 18.62 Favored 'General case' 0 N--CA 1.48 1.048 0 C-N-CA 124.978 1.311 . . . . 0.0 113.8 -176.761 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 10.8 t -153.62 159.79 42.22 Favored 'General case' 0 N--CA 1.471 0.581 0 C-N-CA 126.132 1.773 . . . . 0.0 110.304 175.537 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 22.1 mt -61.59 133.35 27.36 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.754 0 C-N-CA 123.573 0.749 . . . . 0.0 111.231 -177.816 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 21.0 p -112.8 163.49 14.54 Favored 'General case' 0 CA--C 1.541 0.628 0 C-N-CA 125.287 1.435 . . . . 0.0 111.516 171.504 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 68.0 m -121.81 161.92 21.82 Favored 'General case' 0 N--CA 1.475 0.821 0 C-N-CA 123.984 0.913 . . . . 0.0 113.274 -169.163 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 2.3 pt? -54.75 -33.19 60.89 Favored 'General case' 0 N--CA 1.473 0.675 0 C-N-CA 124.113 0.965 . . . . 0.0 113.58 -179.981 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 39.6 m-85 -64.05 -25.83 68.28 Favored 'General case' 0 CA--C 1.541 0.623 0 C-N-CA 124.391 1.076 . . . . 0.0 113.01 177.003 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 40.1 mt-30 -84.71 -45.89 11.98 Favored 'General case' 0 N--CA 1.467 0.381 0 C-N-CA 124.777 1.231 . . . . 0.0 110.707 172.336 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 60.3 mt -59.06 -39.93 83.59 Favored 'General case' 0 CA--C 1.54 0.584 0 C-N-CA 123.306 0.643 . . . . 0.0 112.551 178.69 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 4.1 mm-40 -54.76 -38.58 67.37 Favored 'General case' 0 CA--C 1.543 0.711 0 C-N-CA 125.175 1.39 . . . . 0.0 112.419 172.063 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 87.7 m-20 -77.71 -33.73 52.99 Favored 'General case' 0 CA--C 1.539 0.558 0 C-N-CA 124.015 0.926 . . . . 0.0 112.186 -179.825 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 19.7 m-85 -69.75 -31.42 69.37 Favored 'General case' 0 CA--C 1.543 0.675 0 CA-C-N 118.977 0.808 . . . . 0.0 112.184 173.566 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 95.4 m -75.06 -19.64 59.9 Favored 'General case' 0 CA--C 1.545 0.756 0 N-CA-C 113.982 1.104 . . . . 0.0 113.982 174.342 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 56.0 t-20 . . . . . 0 CA--C 1.543 0.686 0 C-N-CA 124.27 1.028 . . . . 0.0 112.134 -177.463 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' B' B ' 1' ' ' PHE . . . . . . . . . . . . . 16.3 t80 . . . . . 0 CA--C 1.539 0.535 0 N-CA-C 112.295 0.48 . . . . 0.0 112.295 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' B' B ' 2' ' ' VAL . . . . . . . . . . . . . 8.4 m -128.95 128.11 66.94 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.662 0 C-N-CA 125.466 1.506 . . . . 0.0 109.262 162.34 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 3' ' ' ASN . . . . . . . . . . . . . 35.1 p-10 -75.95 165.5 24.88 Favored 'General case' 0 CA--C 1.541 0.61 0 N-CA-C 114.643 1.349 . . . . 0.0 114.643 -177.682 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 4' ' ' GLN . . . . . . . . . . . . . 8.8 pt20 -161.89 -167.9 1.79 Allowed 'General case' 0 CA--C 1.545 0.751 0 C-N-CA 129.129 2.972 . . . . 0.0 107.585 177.167 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 5' ' ' HIS . . . . . . . . . . . . . 27.4 m-70 -77.29 65.96 2.96 Favored 'General case' 0 N--CA 1.472 0.666 0 C-N-CA 126.268 1.827 . . . . 0.0 110.759 173.703 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 59.2 mt -64.63 126.99 29.65 Favored 'General case' 0 CA--C 1.535 0.366 0 C-N-CA 125.768 1.627 . . . . 0.0 112.716 -169.026 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 7' ' ' CYS . . . . . . . . . . . . . 3.4 t -151.72 158.6 43.6 Favored 'General case' 0 CA--C 1.541 0.633 0 C-N-CA 123.596 0.758 . . . . 0.0 112.095 -178.456 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 8' ' ' GLY . . . . . . . . . . . . . . . 57.37 -135.65 51.45 Favored Glycine 0 CA--C 1.535 1.328 0 C-N-CA 123.77 0.7 . . . . 0.0 113.378 178.425 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 9' ' ' SER . . . . . . . . . . . . . 36.3 p -62.25 -32.88 73.64 Favored 'General case' 0 N--CA 1.472 0.654 0 N-CA-C 113.447 0.906 . . . . 0.0 113.447 177.563 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 10' ' ' HIS . . . . . . . . . . . . . 32.0 m170 -63.68 -36.38 83.65 Favored 'General case' 0 N--CA 1.474 0.727 0 O-C-N 121.492 -0.755 . . . . 0.0 112.271 177.48 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 58.4 tp -66.04 -43.18 88.27 Favored 'General case' 0 N--CA 1.468 0.451 0 C-N-CA 124.02 0.928 . . . . 0.0 111.883 174.99 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 64.0 t -63.84 -43.7 97.93 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.684 0 C-N-CA 123.678 0.791 . . . . 0.0 110.875 176.532 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 42.5 mt-10 -65.97 -42.49 89.81 Favored 'General case' 0 N--CA 1.47 0.536 0 O-C-N 121.685 -0.634 . . . . 0.0 112.553 176.424 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -65.02 -38.39 90.74 Favored 'General case' 0 CA--C 1.539 0.521 0 O-C-N 121.272 -0.893 . . . . 0.0 113.194 -179.354 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 3.3 pp -76.24 -36.86 58.3 Favored 'General case' 0 CA--C 1.537 0.475 0 O-C-N 121.855 -0.528 . . . . 0.0 110.682 177.549 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 16' ' ' TYR . . . . . . . . . . . . . 5.2 t80 -58.77 -38.94 79.61 Favored 'General case' 0 CA--C 1.541 0.612 0 O-C-N 121.357 -0.839 . . . . 0.0 111.967 170.634 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 20.3 mt -68.84 -51.09 44.27 Favored 'General case' 0 N--CA 1.464 0.256 0 C-N-CA 123.97 0.908 . . . . 0.0 112.067 -179.866 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 18' ' ' VAL . . . . . . . . . . . . . 6.4 p -70.57 -36.9 67.76 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.534 0 N-CA-C 111.807 0.299 . . . . 0.0 111.807 -176.63 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 19' ' ' CYS . . . . . . . . . . . . . 78.0 m -87.07 -27.68 23.01 Favored 'General case' 0 CA--C 1.536 0.441 0 C-N-CA 123.895 0.878 . . . . 0.0 113.13 -176.408 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . -61.61 -28.52 69.92 Favored Glycine 0 CA--C 1.533 1.207 0 O-C-N 121.273 -0.892 . . . . 0.0 113.592 176.872 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 8.6 tp10 -64.08 -30.71 71.76 Favored 'General case' 0 N--CA 1.473 0.678 0 C-N-CA 124.455 1.102 . . . . 0.0 112.86 173.825 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 22' ' ' ARG . . . . . . . . . . . . . 6.9 mpt_? -86.08 -34.41 20.68 Favored 'General case' 0 N--CA 1.473 0.712 0 C-N-CA 125.956 1.703 . . . . 0.0 112.367 173.323 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . -73.16 -25.45 73.32 Favored Glycine 0 CA--C 1.536 1.348 0 C-N-CA 125.059 1.314 . . . . 0.0 115.11 -179.726 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 24' ' ' DHI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' B' B ' 25' ' ' PHE . . . . . . . . . . . . . 38.9 m-85 -77.07 137.96 39.26 Favored 'General case' 0 CA--C 1.538 0.497 0 C-N-CA 123.924 0.89 . . . . 0.0 111.804 -178.713 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 26' ' ' TYR . . . . . . . . . . . . . 73.4 m-85 -98.94 138.21 36.38 Favored 'General case' 0 N--CA 1.469 0.488 0 C-N-CA 124.686 1.194 . . . . 0.0 111.737 179.472 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 27' ' ' THR . . . . . . . . . . . . . 3.7 m 48.11 48.56 6.08 Favored Pre-proline 0 N--CA 1.48 1.06 0 C-N-CA 125.718 1.607 . . . . 0.0 114.094 177.074 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 28' ' ' PRO . . . . . . . . . . . . . 83.4 Cg_endo -71.77 112.69 3.44 Favored 'Trans proline' 0 C--N 1.355 0.887 0 C-N-CA 122.478 2.119 . . . . 0.0 111.955 -172.58 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 3.5 tmtp? 48.94 28.3 1.93 Allowed 'General case' 0 N--CA 1.482 1.167 0 C-N-CA 126.853 2.061 . . . . 0.0 115.05 -178.788 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 30' ' ' THR . . . . . . . . . . . . . 11.9 m . . . . . 0 C--O 1.252 1.224 0 C-N-CA 124.981 1.312 . . . . 0.0 112.343 -177.533 . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.596 0 CA-C-O 121.124 0.291 . . . . 0.0 112.406 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 15.8 tt -75.31 -41.78 43.52 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.891 0 C-N-CA 124.707 1.203 . . . . 0.0 114.138 -172.904 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 14.4 t -62.79 -49.75 82.44 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.006 0 C-N-CA 123.979 0.912 . . . . 0.0 111.365 -172.048 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 16.4 pt-20 -64.66 -21.86 66.83 Favored 'General case' 0 CA--C 1.547 0.828 0 N-CA-C 113.941 1.089 . . . . 0.0 113.941 176.93 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 65.3 mm-40 -87.72 -33.8 18.6 Favored 'General case' 0 N--CA 1.469 0.491 0 C-N-CA 124.366 1.067 . . . . 0.0 112.891 177.266 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 96.6 m -110.62 -29.61 7.96 Favored 'General case' 0 CA--C 1.543 0.682 0 N-CA-C 114.879 1.437 . . . . 0.0 114.879 -170.828 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 20.6 t -88.2 -35.27 17.44 Favored 'General case' 0 N--CA 1.474 0.741 0 CA-C-N 119.546 1.066 . . . . 0.0 113.024 -171.653 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 12.0 t -107.89 -13.06 15.07 Favored 'General case' 0 N--CA 1.482 1.134 0 C-N-CA 125.575 1.55 . . . . 0.0 113.422 179.987 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 72.1 m -136.05 165.39 25.81 Favored 'General case' 0 N--CA 1.471 0.601 0 C-N-CA 127.155 2.182 . . . . 0.0 110.107 175.694 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 52.5 mt -81.34 136.08 23.8 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.708 0 O-C-N 121.329 -0.857 . . . . 0.0 110.041 174.12 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 19.4 p -121.8 169.03 11.16 Favored 'General case' 0 CA--C 1.543 0.683 0 C-N-CA 125.402 1.481 . . . . 0.0 111.979 173.927 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 46.1 m -124.98 160.9 27.88 Favored 'General case' 0 N--CA 1.474 0.765 0 C-N-CA 124.761 1.225 . . . . 0.0 112.48 -172.03 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -57.11 -28.41 62.66 Favored 'General case' 0 N--CA 1.471 0.603 0 N-CA-C 114.335 1.235 . . . . 0.0 114.335 -179.672 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 43.3 m-85 -62.47 -28.95 70.18 Favored 'General case' 0 CA--C 1.541 0.599 0 C-N-CA 124.544 1.138 . . . . 0.0 112.809 174.932 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 34.9 mt-30 -83.9 -44.53 14.17 Favored 'General case' 0 CA--C 1.536 0.424 0 C-N-CA 124.686 1.195 . . . . 0.0 110.448 175.271 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 76.9 mt -59.45 -36.51 76.08 Favored 'General case' 0 CA--C 1.543 0.701 0 C-N-CA 123.549 0.74 . . . . 0.0 112.958 177.823 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 4.4 mm-40 -60.71 -32.31 71.56 Favored 'General case' 0 CA--C 1.541 0.629 0 C-N-CA 124.819 1.248 . . . . 0.0 113.099 172.344 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 90.2 m-20 -79.04 -39.66 33.39 Favored 'General case' 0 CA--C 1.54 0.577 0 C-N-CA 123.437 0.695 . . . . 0.0 111.528 177.083 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 22.9 m-85 -65.73 -22.82 66.64 Favored 'General case' 0 N--CA 1.473 0.707 0 N-CA-C 113.487 0.921 . . . . 0.0 113.487 178.207 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 21.1 t -60.9 -25.28 66.62 Favored 'General case' 0 CA--C 1.548 0.868 0 N-CA-C 113.216 0.821 . . . . 0.0 113.216 171.676 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 37.8 m-80 . . . . . 0 N--CA 1.472 0.656 0 C-N-CA 126.11 1.764 . . . . 0.0 113.031 -179.366 . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' B' B ' 1' ' ' PHE . . . . . . . . . . . . . 59.4 t80 . . . . . 0 CA--C 1.539 0.55 0 N-CA-C 112.203 0.445 . . . . 0.0 112.203 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' B' B ' 2' ' ' VAL . . . . . . . . . . . . . 59.1 t -134.34 127.16 50.18 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.797 0 C-N-CA 125.277 1.431 . . . . 0.0 109.192 176.019 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 3' ' ' ASN . . . . . . . . . . . . . 3.9 p-10 -57.03 129.26 40.93 Favored 'General case' 0 CA--C 1.535 0.377 0 C-N-CA 123.868 0.867 . . . . 0.0 112.903 179.081 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 4' ' ' GLN . . . . . . . . . . . . . 5.1 pt20 -163.71 155.56 17.08 Favored 'General case' 0 CA--C 1.537 0.458 0 C-N-CA 125.528 1.531 . . . . 0.0 110.481 173.635 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 5' ' ' HIS . . . . . . . . . . . . . 43.1 m-70 -73.06 77.48 1.22 Allowed 'General case' 0 CA--C 1.546 0.813 0 C-N-CA 124.997 1.319 . . . . 0.0 111.243 171.16 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 75.3 mt -64.16 126.52 28.0 Favored 'General case' 0 N--CA 1.471 0.598 0 C-N-CA 124.816 1.246 . . . . 0.0 112.192 179.475 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 7' ' ' CYS . . . . . . . . . . . . . 4.1 t -151.76 160.83 43.44 Favored 'General case' 0 N--CA 1.471 0.613 0 N-CA-C 112.872 0.693 . . . . 0.0 112.872 178.302 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 8' ' ' GLY . . . . . . . . . . . . . . . 58.64 -137.14 50.54 Favored Glycine 0 CA--C 1.532 1.151 0 C-N-CA 124.001 0.81 . . . . 0.0 112.862 179.998 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 9' ' ' SER . . . . . . . . . . . . . 24.8 m -58.17 -35.69 71.94 Favored 'General case' 0 N--CA 1.473 0.693 0 C-N-CA 123.65 0.78 . . . . 0.0 112.825 178.12 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 10' ' ' HIS . . . . . . . . . . . . . 32.5 m170 -62.96 -37.3 86.52 Favored 'General case' 0 N--CA 1.472 0.675 0 C-N-CA 123.617 0.767 . . . . 0.0 112.471 178.708 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 51.9 tp -67.39 -43.33 81.58 Favored 'General case' 0 CA--C 1.536 0.406 0 C-N-CA 124.171 0.989 . . . . 0.0 112.173 176.179 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 75.9 t -66.2 -43.61 91.83 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.697 0 C-N-CA 123.746 0.818 . . . . 0.0 110.849 177.165 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 42.2 mt-10 -66.0 -42.67 89.45 Favored 'General case' 0 N--CA 1.467 0.401 0 O-C-N 121.613 -0.679 . . . . 0.0 112.117 176.956 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -62.79 -39.76 95.25 Favored 'General case' 0 CA--C 1.539 0.532 0 CA-C-N 119.272 0.942 . . . . 0.0 113.026 -178.392 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 3.2 pp -77.45 -33.45 54.72 Favored 'General case' 0 N--CA 1.467 0.414 0 O-C-N 121.798 -0.564 . . . . 0.0 111.809 179.405 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 16' ' ' TYR . . . . . . . . . . . . . 3.4 t80 -63.22 -43.22 98.7 Favored 'General case' 0 CA--C 1.539 0.552 0 C-N-CA 123.83 0.852 . . . . 0.0 111.298 171.579 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 43.2 mt -69.06 -45.58 69.99 Favored 'General case' 0 N--CA 1.467 0.417 0 C-N-CA 123.978 0.911 . . . . 0.0 112.435 -178.936 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 18' ' ' VAL . . . . . . . . . . . . . 3.9 p -71.8 -31.26 40.71 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.84 0 N-CA-C 112.272 0.471 . . . . 0.0 112.272 -177.489 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 19' ' ' CYS . . . . . . . . . . . . . 21.0 t -81.7 -37.55 27.19 Favored 'General case' 0 CA--C 1.542 0.657 0 C-N-CA 124.135 0.974 . . . . 0.0 112.066 177.658 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . -84.16 31.29 3.47 Favored Glycine 0 CA--C 1.537 1.414 0 C-N-CA 126.513 2.006 . . . . 0.0 114.238 174.412 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 1.9 mm-40 -63.83 163.59 11.54 Favored 'General case' 0 CA--C 1.547 0.844 0 C-N-CA 124.601 1.161 . . . . 0.0 113.931 -179.59 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 22' ' ' ARG . . . . . . . . . . . . . 15.0 ptp180 -68.01 -15.9 63.81 Favored 'General case' 0 N--CA 1.477 0.907 0 C-N-CA 127.164 2.186 . . . . 0.0 116.41 -164.675 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . -62.66 158.37 36.53 Favored Glycine 0 CA--C 1.539 1.573 0 C-N-CA 124.614 1.102 . . . . 0.0 114.015 -179.654 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 24' ' ' DHI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' B' B ' 25' ' ' PHE . . . . . . . . . . . . . 10.1 m-85 -70.38 -10.66 59.68 Favored 'General case' 0 N--CA 1.477 0.895 0 N-CA-C 115.614 1.709 . . . . 0.0 115.614 -169.455 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 26' ' ' TYR . . . . . . . . . . . . . 7.4 m-85 -128.95 161.13 30.61 Favored 'General case' 0 C--N 1.322 -0.607 0 C-N-CA 127.748 2.419 . . . . 0.0 112.243 -173.487 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 27' ' ' THR . . . . . . . . . . . . . 15.3 t -144.68 133.93 11.33 Favored Pre-proline 0 N--CA 1.473 0.712 0 C-N-CA 123.699 0.799 . . . . 0.0 111.045 164.008 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 28' ' ' PRO . . . . . . . . . . . . . 67.0 Cg_exo -57.87 151.06 59.32 Favored 'Trans proline' 0 CA--C 1.54 0.785 0 C-N-CA 123.337 2.691 . . . . 0.0 112.751 165.585 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 99.2 mttt -139.38 154.62 47.87 Favored 'General case' 0 N--CA 1.476 0.831 0 C-N-CA 125.883 1.673 . . . . 0.0 111.267 -179.443 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 30' ' ' THR . . . . . . . . . . . . . 29.3 m . . . . . 0 C--O 1.252 1.236 0 C-N-CA 126.399 1.88 . . . . 0.0 110.931 -178.692 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.634 0 N-CA-C 111.145 -0.782 . . . . 0.0 111.145 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 12.2 tt -42.16 -50.56 0.93 Allowed 'Isoleucine or valine' 0 N--CA 1.482 1.128 0 C-N-CA 126.803 2.041 . . . . 0.0 115.831 -165.972 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 9.8 p -62.68 -43.77 98.88 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.779 0 C-N-CA 123.525 0.73 . . . . 0.0 112.708 -170.249 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 46.9 mt-10 -78.27 -46.92 19.03 Favored 'General case' 0 N--CA 1.464 0.275 0 C-N-CA 123.39 0.676 . . . . 0.0 110.326 172.472 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 45.4 tt0 -59.33 -41.25 88.69 Favored 'General case' 0 CA--C 1.535 0.38 0 C-N-CA 124.324 1.05 . . . . 0.0 112.877 -171.135 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 57.5 m -85.21 -26.53 26.67 Favored 'General case' 0 CA--C 1.539 0.524 0 N-CA-C 113.339 0.866 . . . . 0.0 113.339 177.482 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 6.6 t -78.29 -26.99 47.26 Favored 'General case' 0 CA--C 1.546 0.82 0 CA-C-N 119.327 0.967 . . . . 0.0 112.594 176.841 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 1.3 t -99.19 -21.93 15.89 Favored 'General case' 0 N--CA 1.478 0.935 0 C-N-CA 125.462 1.505 . . . . 0.0 114.06 -179.624 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 6.5 t -148.89 177.96 9.09 Favored 'General case' 0 N--CA 1.471 0.615 0 C-N-CA 125.387 1.475 . . . . 0.0 112.198 -177.228 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 34.9 mt -70.49 143.51 14.54 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.532 0 C-N-CA 124.485 1.114 . . . . 0.0 111.77 179.77 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 54.2 m -122.94 132.11 54.02 Favored 'General case' 0 CA--C 1.538 0.498 0 C-N-CA 124.776 1.23 . . . . 0.0 111.587 167.126 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 95.7 p -85.85 168.26 14.42 Favored 'General case' 0 N--CA 1.469 0.517 0 C-N-CA 124.858 1.263 . . . . 0.0 112.531 172.891 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -59.64 -28.13 66.95 Favored 'General case' 0 CA--C 1.541 0.602 0 N-CA-C 112.978 0.733 . . . . 0.0 112.978 167.38 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 37.0 m-85 -69.73 -41.59 75.08 Favored 'General case' 0 N--CA 1.466 0.371 0 O-C-N 121.719 -0.613 . . . . 0.0 111.308 176.614 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 39.7 mt-30 -65.26 -47.47 76.61 Favored 'General case' 0 N--CA 1.465 0.319 0 C-N-CA 123.454 0.702 . . . . 0.0 110.64 175.926 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 77.0 mt -62.56 -36.16 81.79 Favored 'General case' 0 CA--C 1.542 0.672 0 C-N-CA 123.819 0.847 . . . . 0.0 113.025 -179.907 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 37.6 mt-10 -68.67 -40.42 80.15 Favored 'General case' 0 N--CA 1.473 0.676 0 O-C-N 121.596 -0.69 . . . . 0.0 112.557 169.213 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 95.5 m-20 -64.08 -31.47 72.67 Favored 'General case' 0 CA--C 1.542 0.654 0 O-C-N 121.075 -1.016 . . . . 0.0 112.56 177.456 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 25.0 m-85 -73.56 -34.75 65.3 Favored 'General case' 0 CA--C 1.54 0.593 0 CA-C-N 118.652 0.66 . . . . 0.0 112.73 175.038 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 2.6 p -81.06 -34.04 33.02 Favored 'General case' 0 CA--C 1.541 0.598 0 N-CA-C 113.369 0.878 . . . . 0.0 113.369 -179.379 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 53.3 t-20 . . . . . 0 CA--C 1.544 0.726 0 C-N-CA 125.198 1.399 . . . . 0.0 112.201 179.398 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' B' B ' 1' ' ' PHE . . . . . . . . . . . . . 55.3 t80 . . . . . 0 CA--C 1.54 0.578 0 N-CA-C 112.199 0.444 . . . . 0.0 112.199 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' B' B ' 2' ' ' VAL . . . . . . . . . . . . . 22.2 m -135.59 139.51 46.32 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.789 0 C-N-CA 124.985 1.314 . . . . 0.0 110.102 165.249 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 3' ' ' ASN . . . . . . . . . . . . . 77.1 m-20 -57.85 136.62 57.01 Favored 'General case' 0 N--CA 1.468 0.474 0 C-N-CA 123.015 0.526 . . . . 0.0 111.662 178.692 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 4' ' ' GLN . . . . . . . . . . . . . 8.2 pt20 -164.38 158.7 18.86 Favored 'General case' 0 CA--C 1.535 0.372 0 C-N-CA 124.778 1.231 . . . . 0.0 110.809 -176.963 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 5' ' ' HIS . . . . . . . . . . . . . 17.2 m-70 -66.45 140.78 58.05 Favored 'General case' 0 CA--C 1.543 0.683 0 C-N-CA 125.061 1.344 . . . . 0.0 109.845 162.364 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 62.0 mt -142.35 129.33 20.72 Favored 'General case' 0 N--CA 1.473 0.685 0 C-N-CA 125.17 1.388 . . . . 0.0 111.386 -175.07 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 7' ' ' CYS . . . . . . . . . . . . . 4.9 t -147.34 158.38 43.94 Favored 'General case' 0 CA--C 1.54 0.586 0 C-N-CA 123.339 0.656 . . . . 0.0 112.361 -179.059 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 8' ' ' GLY . . . . . . . . . . . . . . . 58.12 -136.95 50.46 Favored Glycine 0 CA--C 1.534 1.226 0 C-N-CA 124.048 0.832 . . . . 0.0 113.612 177.851 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 9' ' ' SER . . . . . . . . . . . . . 38.7 p -59.85 -32.07 70.34 Favored 'General case' 0 N--CA 1.472 0.628 0 C-N-CA 124.198 0.999 . . . . 0.0 113.543 178.275 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 10' ' ' HIS . . . . . . . . . . . . . 26.4 m-70 -66.89 -37.65 84.79 Favored 'General case' 0 N--CA 1.47 0.574 0 CA-C-N 118.721 0.691 . . . . 0.0 111.781 178.502 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 58.1 tp -65.75 -44.58 85.48 Favored 'General case' 0 CA--C 1.537 0.465 0 C-N-CA 124.107 0.963 . . . . 0.0 111.95 174.243 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 85.8 t -63.36 -45.22 98.69 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.78 0 C-N-CA 123.658 0.783 . . . . 0.0 111.031 178.351 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 39.0 mt-10 -67.65 -41.93 83.04 Favored 'General case' 0 N--CA 1.469 0.518 0 O-C-N 121.697 -0.627 . . . . 0.0 112.396 177.008 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -63.59 -40.23 96.41 Favored 'General case' 0 CA--C 1.538 0.499 0 CA-C-N 119.029 0.832 . . . . 0.0 112.733 -179.211 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 3.1 pp -75.53 -35.22 60.76 Favored 'General case' 0 N--CA 1.469 0.502 0 CA-C-N 118.436 0.562 . . . . 0.0 111.572 179.704 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 16' ' ' TYR . . . . . . . . . . . . . 2.6 t80 -61.22 -44.11 97.79 Favored 'General case' 0 CA--C 1.54 0.558 0 C-N-CA 123.913 0.885 . . . . 0.0 111.16 173.08 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 53.6 mt -67.07 -51.64 52.01 Favored 'General case' 0 CA--C 1.532 0.275 0 C-N-CA 123.49 0.716 . . . . 0.0 111.789 179.401 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 18' ' ' VAL . . . . . . . . . . . . . 4.9 p -72.42 -28.65 29.02 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.777 0 N-CA-C 112.917 0.71 . . . . 0.0 112.917 -173.302 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 19' ' ' CYS . . . . . . . . . . . . . 9.1 t -81.0 -33.2 33.86 Favored 'General case' 0 CA--C 1.545 0.76 0 C-N-CA 123.389 0.676 . . . . 0.0 112.187 174.799 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . -83.5 -24.78 49.49 Favored Glycine 0 CA--C 1.536 1.397 0 C-N-CA 124.755 1.169 . . . . 0.0 115.4 -179.262 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -62.67 150.51 40.75 Favored 'General case' 0 N--CA 1.472 0.65 0 CA-C-N 119.203 1.501 . . . . 0.0 114.942 -173.114 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 22' ' ' ARG . . . . . . . . . . . . . 6.7 mmp_? -84.73 51.01 2.03 Favored 'General case' 0 N--CA 1.472 0.662 0 C-N-CA 127.213 2.205 . . . . 0.0 112.439 -174.837 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . 75.84 -159.29 50.73 Favored Glycine 0 CA--C 1.535 1.31 0 C-N-CA 124.976 1.274 . . . . 0.0 113.889 -177.393 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 24' ' ' DHI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' B' B ' 25' ' ' PHE . . . . . . . . . . . . . 29.7 m-85 -76.09 158.93 31.26 Favored 'General case' 0 CA--C 1.541 0.632 0 C-N-CA 125.178 1.391 . . . . 0.0 112.79 -178.151 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 26' ' ' TYR . . . . . . . . . . . . . 58.8 m-85 -74.59 164.84 26.12 Favored 'General case' 0 CA--C 1.543 0.7 0 C-N-CA 124.029 0.932 . . . . 0.0 113.292 176.932 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 27' ' ' THR . . . . . . . . . . . . . 8.9 m -118.33 -37.19 0.06 OUTLIER Pre-proline 0 N--CA 1.482 1.134 0 C-N-CA 125.777 1.631 . . . . 0.0 114.358 -179.923 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 28' ' ' PRO . . . . . . . . . . . . . 55.0 Cg_exo -62.04 135.5 55.46 Favored 'Trans proline' 0 C--N 1.355 0.902 0 C-N-CA 122.905 2.404 . . . . 0.0 113.066 177.718 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 39.2 ttmt -147.17 143.65 28.38 Favored 'General case' 0 N--CA 1.475 0.777 0 C-N-CA 125.376 1.47 . . . . 0.0 111.073 -172.209 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 30' ' ' THR . . . . . . . . . . . . . 14.8 t . . . . . 0 C--O 1.253 1.26 0 C-N-CA 126.076 1.751 . . . . 0.0 111.851 178.92 . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.68 0 N-CA-C 112.638 -0.185 . . . . 0.0 112.638 . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 0.6 OUTLIER -46.1 -51.01 4.09 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.016 0 C-N-CA 126.843 2.057 . . . . 0.0 114.7 -174.872 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 7.6 p -57.56 -43.26 82.86 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.885 0 O-C-N 121.123 -0.985 . . . . 0.0 112.497 177.837 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 42.0 mt-10 -70.09 -31.79 69.54 Favored 'General case' 0 N--CA 1.475 0.822 0 O-C-N 120.715 -1.241 . . . . 0.0 112.541 176.66 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 7.7 mm100 -71.03 -28.46 64.41 Favored 'General case' 0 CA--C 1.541 0.617 0 C-N-CA 124.053 0.941 . . . . 0.0 112.839 178.771 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 67.7 m -116.71 -30.37 5.81 Favored 'General case' 0 CA--C 1.547 0.838 0 N-CA-C 115.81 1.782 . . . . 0.0 115.81 -174.308 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 29.4 t -82.39 -32.62 29.09 Favored 'General case' 0 N--CA 1.477 0.885 0 CA-C-N 120.528 1.513 . . . . 0.0 113.112 -170.065 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 14.4 t -113.26 -10.53 13.33 Favored 'General case' 0 N--CA 1.48 1.026 0 C-N-CA 125.673 1.589 . . . . 0.0 113.413 -176.683 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 8.4 t -143.16 163.1 33.83 Favored 'General case' 0 N--CA 1.469 0.506 0 C-N-CA 126.085 1.754 . . . . 0.0 111.185 175.438 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 24.3 mt -70.03 140.4 18.64 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.601 0 C-N-CA 124.096 0.959 . . . . 0.0 111.332 179.798 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 29.3 p -130.38 162.7 28.52 Favored 'General case' 0 CA--C 1.542 0.645 0 C-N-CA 124.627 1.171 . . . . 0.0 112.09 170.15 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 19.6 m -126.31 163.39 23.34 Favored 'General case' 0 N--CA 1.474 0.739 0 C-N-CA 124.418 1.087 . . . . 0.0 112.292 -170.042 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 2.4 pt? -51.64 -36.32 45.63 Favored 'General case' 0 N--CA 1.475 0.791 0 C-N-CA 124.278 1.031 . . . . 0.0 113.242 175.959 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 31.9 m-85 -60.15 -27.35 67.01 Favored 'General case' 0 CA--C 1.539 0.52 0 C-N-CA 125.032 1.333 . . . . 0.0 113.098 177.124 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 7.7 mt-30 -95.71 -40.13 9.53 Favored 'General case' 0 CA--C 1.538 0.483 0 C-N-CA 123.856 0.862 . . . . 0.0 111.764 173.552 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 60.9 mt -60.99 -36.37 79.28 Favored 'General case' 0 N--CA 1.471 0.577 0 C-N-CA 123.949 0.9 . . . . 0.0 112.878 -178.721 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 40.6 mt-10 -66.5 -30.04 70.28 Favored 'General case' 0 CA--C 1.547 0.828 0 O-C-N 121.513 -0.742 . . . . 0.0 112.583 172.36 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 48.0 m-80 -75.79 -33.0 60.13 Favored 'General case' 0 N--CA 1.47 0.567 0 O-C-N 120.965 -1.084 . . . . 0.0 112.801 174.442 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 27.1 m-85 -71.16 -27.61 63.67 Favored 'General case' 0 N--CA 1.472 0.662 0 CA-C-N 119.11 0.868 . . . . 0.0 112.355 172.713 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 48.4 t -68.83 -44.4 73.53 Favored 'General case' 0 CA--C 1.545 0.77 0 C-N-CA 123.747 0.819 . . . . 0.0 112.391 167.958 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 50.9 t-20 . . . . . 0 CA--C 1.546 0.789 0 C-N-CA 124.535 1.134 . . . . 0.0 112.58 -176.712 . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' B' B ' 1' ' ' PHE . . . . . . . . . . . . . 60.0 t80 . . . . . 0 CA--C 1.541 0.627 0 N-CA-C 112.346 0.498 . . . . 0.0 112.346 . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' B' B ' 2' ' ' VAL . . . . . . . . . . . . . 18.4 m -134.12 139.95 47.18 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.844 0 C-N-CA 125.399 1.479 . . . . 0.0 110.143 166.697 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 3' ' ' ASN . . . . . . . . . . . . . 72.8 m-20 -54.09 139.29 35.49 Favored 'General case' 0 N--CA 1.471 0.586 0 N-CA-C 113.378 0.881 . . . . 0.0 113.378 -179.265 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 4' ' ' GLN . . . . . . . . . . . . . 10.3 pt20 -165.97 155.15 11.69 Favored 'General case' 0 CA--C 1.536 0.412 0 C-N-CA 124.705 1.202 . . . . 0.0 111.672 -172.248 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 5' ' ' HIS . . . . . . . . . . . . . 27.9 m-70 -76.8 143.26 39.92 Favored 'General case' 0 CA--C 1.542 0.669 0 C-N-CA 124.902 1.281 . . . . 0.0 110.144 159.359 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 23.2 mt -144.97 134.23 22.9 Favored 'General case' 0 N--CA 1.473 0.694 0 C-N-CA 126.179 1.792 . . . . 0.0 110.706 -176.658 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 7' ' ' CYS . . . . . . . . . . . . . 3.9 t -149.37 159.95 43.84 Favored 'General case' 0 CA--C 1.541 0.628 0 O-C-N 121.516 -0.74 . . . . 0.0 112.819 -179.245 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 8' ' ' GLY . . . . . . . . . . . . . . . 56.66 -138.83 46.12 Favored Glycine 0 CA--C 1.533 1.206 0 C-N-CA 124.393 0.997 . . . . 0.0 113.543 177.01 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 9' ' ' SER . . . . . . . . . . . . . 22.7 m -59.56 -31.23 69.24 Favored 'General case' 0 N--CA 1.473 0.706 0 N-CA-C 113.2 0.815 . . . . 0.0 113.2 178.065 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 10' ' ' HIS . . . . . . . . . . . . . 28.4 m-70 -67.43 -35.97 80.3 Favored 'General case' 0 N--CA 1.471 0.578 0 O-C-N 121.573 -0.704 . . . . 0.0 111.831 178.25 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 49.9 tp -66.24 -44.12 84.65 Favored 'General case' 0 CA--C 1.537 0.443 0 C-N-CA 123.961 0.904 . . . . 0.0 111.862 174.151 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 84.4 t -63.24 -43.67 98.85 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.787 0 C-N-CA 123.78 0.832 . . . . 0.0 111.085 177.437 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 39.8 mt-10 -67.23 -43.98 80.63 Favored 'General case' 0 CA--C 1.537 0.452 0 O-C-N 121.56 -0.712 . . . . 0.0 112.242 175.682 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -62.77 -40.41 97.2 Favored 'General case' 0 CA--C 1.538 0.499 0 O-C-N 121.182 -0.949 . . . . 0.0 112.805 -179.265 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 3.7 pp -73.85 -31.22 63.09 Favored 'General case' 0 CA--C 1.536 0.406 0 CA-C-N 118.598 0.636 . . . . 0.0 112.279 177.866 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 16' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -63.27 -46.79 85.2 Favored 'General case' 0 N--CA 1.469 0.506 0 CA-C-N 118.771 0.714 . . . . 0.0 110.811 169.705 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 39.2 mt -67.5 -41.49 84.4 Favored 'General case' 0 CA--C 1.535 0.387 0 C-N-CA 124.212 1.005 . . . . 0.0 112.375 -174.091 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 18' ' ' VAL . . . . . . . . . . . . . 4.7 p -75.67 -28.27 19.45 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.745 0 C-N-CA 123.217 0.607 . . . . 0.0 112.537 179.842 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 19' ' ' CYS . . . . . . . . . . . . . 29.6 t -83.26 -32.33 26.49 Favored 'General case' 0 CA--C 1.542 0.646 0 C-N-CA 124.461 1.104 . . . . 0.0 113.686 177.179 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . 76.84 16.34 80.85 Favored Glycine 0 CA--C 1.538 1.503 0 C-N-CA 125.092 1.329 . . . . 0.0 114.382 -172.999 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 32.7 tt0 -135.09 124.17 24.32 Favored 'General case' 0 N--CA 1.47 0.568 0 CA-C-N 118.374 1.087 . . . . 0.0 112.978 -171.845 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 22' ' ' ARG . . . . . . . . . . . . . 98.3 mtt180 -90.69 -24.39 20.46 Favored 'General case' 0 N--CA 1.482 1.16 0 C-N-CA 125.77 1.628 . . . . 0.0 112.39 169.513 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . 152.31 -31.49 0.86 Allowed Glycine 0 CA--C 1.537 1.411 0 C-N-CA 127.943 2.687 . . . . 0.0 111.444 -174.312 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 24' ' ' DHI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' B' B ' 25' ' ' PHE . . . . . . . . . . . . . 40.0 m-85 -68.2 153.35 43.91 Favored 'General case' 0 CA--C 1.542 0.641 0 C-N-CA 125.318 1.447 . . . . 0.0 112.954 -177.3 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 26' ' ' TYR . . . . . . . . . . . . . 60.1 m-85 -74.23 155.57 38.16 Favored 'General case' 0 N--CA 1.471 0.583 0 C-N-CA 124.353 1.061 . . . . 0.0 112.787 179.074 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 27' ' ' THR . . . . . . . . . . . . . 58.6 m -105.96 105.1 52.31 Favored Pre-proline 0 N--CA 1.476 0.861 0 C-N-CA 124.603 1.161 . . . . 0.0 109.883 175.124 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 28' ' ' PRO . . . . . . . . . . . . . 74.0 Cg_endo -68.99 157.72 60.74 Favored 'Trans proline' 0 CA--C 1.54 0.807 0 C-N-CA 123.169 2.58 . . . . 0.0 112.441 179.176 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 45.2 mmtm -108.66 158.01 18.0 Favored 'General case' 0 N--CA 1.471 0.595 0 C-N-CA 125.753 1.621 . . . . 0.0 111.622 -175.275 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 30' ' ' THR . . . . . . . . . . . . . 15.3 t . . . . . 0 C--O 1.254 1.321 0 C-N-CA 126.798 2.039 . . . . 0.0 111.808 178.533 . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.482 1.718 0 N-CA-C 111.66 -0.576 . . . . 0.0 111.66 . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 0.9 OUTLIER -62.29 -54.0 40.03 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.965 0 C-N-CA 125.402 1.481 . . . . 0.0 112.993 -174.933 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 7.5 p -62.99 -40.14 87.89 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.99 0 O-C-N 121.078 -1.014 . . . . 0.0 111.803 177.0 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 46.8 mt-10 -75.45 7.39 3.63 Favored 'General case' 0 N--CA 1.475 0.785 0 N-CA-C 114.908 1.447 . . . . 0.0 114.908 175.585 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 18.0 tp60 -116.38 -37.41 3.76 Favored 'General case' 0 CA--C 1.54 0.568 0 C-N-CA 124.624 1.17 . . . . 0.0 112.513 165.466 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 65.9 m -108.31 -13.76 14.82 Favored 'General case' 0 CA--C 1.544 0.712 0 N-CA-C 115.87 1.804 . . . . 0.0 115.87 -170.041 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 34.8 t -95.91 -23.5 16.85 Favored 'General case' 0 N--CA 1.473 0.713 0 CA-C-N 119.405 1.002 . . . . 0.0 111.69 167.714 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 38.8 p -82.39 -33.48 28.7 Favored 'General case' 0 N--CA 1.472 0.638 0 C-N-CA 126.615 1.966 . . . . 0.0 112.73 178.39 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 75.0 m -144.04 169.03 18.61 Favored 'General case' 0 N--CA 1.471 0.606 0 C-N-CA 127.431 2.293 . . . . 0.0 110.749 178.138 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 49.6 mt -65.01 141.94 17.58 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.764 0 O-C-N 121.315 -0.866 . . . . 0.0 110.639 171.945 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 38.2 m -117.13 141.37 48.36 Favored 'General case' 0 CA--C 1.537 0.466 0 C-N-CA 124.532 1.133 . . . . 0.0 111.887 168.046 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 51.1 m -89.39 162.71 15.64 Favored 'General case' 0 N--CA 1.47 0.555 0 C-N-CA 125.13 1.372 . . . . 0.0 111.802 171.794 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -57.06 -34.53 68.36 Favored 'General case' 0 CA--C 1.545 0.775 0 N-CA-C 113.399 0.889 . . . . 0.0 113.399 176.339 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 44.2 m-85 -61.89 -28.87 69.81 Favored 'General case' 0 CA--C 1.54 0.574 0 C-N-CA 124.669 1.187 . . . . 0.0 113.122 175.471 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 43.4 mt-30 -83.22 -51.97 7.0 Favored 'General case' 0 N--CA 1.465 0.317 0 C-N-CA 124.495 1.118 . . . . 0.0 110.231 176.129 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 96.6 mt -60.01 -38.45 82.69 Favored 'General case' 0 CA--C 1.538 0.509 0 C-N-CA 124.136 0.975 . . . . 0.0 113.074 -175.539 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 39.0 mt-10 -63.96 -26.92 68.8 Favored 'General case' 0 CA--C 1.545 0.752 0 N-CA-C 113.351 0.871 . . . . 0.0 113.351 178.125 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 89.3 m-20 -70.12 -30.97 68.3 Favored 'General case' 0 CA--C 1.541 0.627 0 O-C-N 121.22 -0.925 . . . . 0.0 112.413 178.194 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 91.3 m-85 -72.88 -14.75 61.55 Favored 'General case' 0 N--CA 1.471 0.611 0 C-N-CA 124.407 1.083 . . . . 0.0 113.597 178.866 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 20.7 t -76.12 -26.15 56.09 Favored 'General case' 0 CA--C 1.546 0.81 0 C-N-CA 124.532 1.133 . . . . 0.0 113.258 176.233 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 63.3 t-20 . . . . . 0 CA--C 1.542 0.641 0 C-N-CA 124.467 1.107 . . . . 0.0 111.78 -179.489 . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' B' B ' 1' ' ' PHE . . . . . . . . . . . . . 84.1 t80 . . . . . 0 CA--C 1.543 0.68 0 N-CA-C 112.556 0.576 . . . . 0.0 112.556 . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' B' B ' 2' ' ' VAL . . . . . . . . . . . . . 61.5 t -133.02 131.11 58.83 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.738 0 C-N-CA 125.775 1.63 . . . . 0.0 108.532 171.454 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 3' ' ' ASN . . . . . . . . . . . . . 8.1 m-20 -54.39 138.8 38.89 Favored 'General case' 0 CA--C 1.536 0.437 0 N-CA-C 113.717 1.006 . . . . 0.0 113.717 -173.848 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 4' ' ' GLN . . . . . . . . . . . . . 7.8 pt20 -168.75 159.13 9.56 Favored 'General case' 0 CA--C 1.537 0.469 0 C-N-CA 126.717 2.007 . . . . 0.0 109.302 -178.092 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 5' ' ' HIS . . . . . . . . . . . . . 28.1 m-70 -67.85 142.68 56.05 Favored 'General case' 0 N--CA 1.471 0.622 0 C-N-CA 123.999 0.92 . . . . 0.0 110.243 162.816 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 49.9 mt -141.9 139.01 32.45 Favored 'General case' 0 N--CA 1.472 0.653 0 C-N-CA 125.62 1.568 . . . . 0.0 110.506 -174.678 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 7' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -142.61 155.51 44.97 Favored 'General case' 0 N--CA 1.474 0.734 0 N-CA-C 113.266 0.839 . . . . 0.0 113.266 -175.488 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 8' ' ' GLY . . . . . . . . . . . . . . . 52.23 -133.74 37.6 Favored Glycine 0 CA--C 1.535 1.318 0 C-N-CA 124.172 0.891 . . . . 0.0 114.129 173.028 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 9' ' ' SER . . . . . . . . . . . . . 37.6 p -61.74 -31.55 71.73 Favored 'General case' 0 N--CA 1.47 0.565 0 N-CA-C 113.455 0.909 . . . . 0.0 113.455 176.761 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 10' ' ' HIS . . . . . . . . . . . . . 30.2 m170 -65.0 -37.44 87.66 Favored 'General case' 0 N--CA 1.47 0.559 0 CA-C-N 119.156 0.889 . . . . 0.0 111.875 176.656 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 43.6 tp -66.97 -45.7 76.89 Favored 'General case' 0 N--CA 1.467 0.395 0 C-N-CA 123.88 0.872 . . . . 0.0 111.894 173.965 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 91.7 t -61.78 -43.84 97.88 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.805 0 C-N-CA 123.523 0.729 . . . . 0.0 111.352 178.77 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 43.7 mt-10 -68.78 -44.56 73.39 Favored 'General case' 0 N--CA 1.47 0.532 0 O-C-N 121.792 -0.567 . . . . 0.0 112.324 175.531 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -64.84 -37.39 87.45 Favored 'General case' 0 CA--C 1.538 0.5 0 CA-C-N 119.297 0.953 . . . . 0.0 112.836 -177.256 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 2.9 pp -75.09 -31.52 61.22 Favored 'General case' 0 N--CA 1.469 0.488 0 CA-C-N 118.494 0.588 . . . . 0.0 111.774 179.857 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 16' ' ' TYR . . . . . . . . . . . . . 4.1 t80 -70.15 -37.46 75.24 Favored 'General case' 0 CA--C 1.541 0.625 0 C-N-CA 125.075 1.35 . . . . 0.0 111.929 172.733 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 42.9 mt -72.03 -43.06 65.58 Favored 'General case' 0 N--CA 1.468 0.44 0 C-N-CA 124.394 1.078 . . . . 0.0 112.311 178.673 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 18' ' ' VAL . . . . . . . . . . . . . 7.0 p -72.16 -28.93 30.65 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.888 0 CA-C-N 118.255 0.48 . . . . 0.0 111.826 177.206 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 19' ' ' CYS . . . . . . . . . . . . . 42.3 t -67.49 -39.65 85.21 Favored 'General case' 0 N--CA 1.466 0.366 0 C-N-CA 124.743 1.217 . . . . 0.0 113.646 169.184 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . 72.19 38.69 58.99 Favored Glycine 0 CA--C 1.532 1.11 0 CA-C-O 119.659 -0.523 . . . . 0.0 112.041 -169.583 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 37.2 tt0 68.51 -32.03 0.21 Allowed 'General case' 0 N--CA 1.485 1.276 0 C-N-CA 128.699 2.8 . . . . 0.0 117.604 171.918 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 22' ' ' ARG . . . . . . . . . . . . . 16.1 ptp180 -76.94 -11.1 59.76 Favored 'General case' 0 N--CA 1.481 1.124 0 N-CA-C 116.343 1.979 . . . . 0.0 116.343 -166.535 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . 65.08 22.19 68.63 Favored Glycine 0 N--CA 1.478 1.434 0 N-CA-C 115.809 1.084 . . . . 0.0 115.809 168.872 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 24' ' ' DHI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' B' B ' 25' ' ' PHE . . . . . . . . . . . . . 56.8 m-85 -92.18 169.75 10.37 Favored 'General case' 0 CA--C 1.541 0.629 0 C-N-CA 124.749 1.22 . . . . 0.0 111.326 167.424 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 26' ' ' TYR . . . . . . . . . . . . . 64.8 m-85 -61.48 143.77 55.34 Favored 'General case' 0 CA--C 1.542 0.663 0 C-N-CA 124.079 0.952 . . . . 0.0 113.067 -174.652 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 27' ' ' THR . . . . . . . . . . . . . 85.9 m -73.54 -41.97 6.24 Favored Pre-proline 0 N--CA 1.48 1.044 0 N-CA-C 113.957 1.095 . . . . 0.0 113.957 -178.756 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 28' ' ' PRO . . . . . . . . . . . . . 51.8 Cg_exo -64.13 150.41 88.4 Favored 'Trans proline' 0 C--N 1.352 0.759 0 C-N-CA 123.057 2.505 . . . . 0.0 113.858 179.156 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 99.1 mttt -79.26 -17.32 54.95 Favored 'General case' 0 N--CA 1.479 1.02 0 N-CA-C 114.183 1.179 . . . . 0.0 114.183 -179.183 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 30' ' ' THR . . . . . . . . . . . . . 34.2 m . . . . . 0 C--O 1.252 1.193 0 C-N-CA 126.506 1.922 . . . . 0.0 111.055 -176.297 . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.632 0 N-CA-C 111.475 -0.65 . . . . 0.0 111.475 . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 8.5 tt -64.28 -43.19 97.17 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.852 0 N-CA-C 114.456 1.28 . . . . 0.0 114.456 -164.297 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 9.7 p -66.87 -47.12 83.53 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.038 0 O-C-N 120.695 -1.253 . . . . 0.0 112.116 -175.216 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 24.5 pt-20 -71.15 3.83 3.22 Favored 'General case' 0 CA--C 1.548 0.883 0 C-N-CA 126.157 1.783 . . . . 0.0 114.609 175.553 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 47.2 mt-30 -118.79 -35.8 3.6 Favored 'General case' 0 CA--C 1.542 0.651 0 C-N-CA 125.127 1.371 . . . . 0.0 112.404 171.926 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 55.8 m -116.09 -10.48 11.52 Favored 'General case' 0 CA--C 1.544 0.717 0 N-CA-C 114.837 1.421 . . . . 0.0 114.837 -169.379 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 43.3 t -95.93 -23.88 16.66 Favored 'General case' 0 N--CA 1.478 0.941 0 CA-C-N 118.842 0.747 . . . . 0.0 111.607 163.911 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 45.4 p -88.38 -36.36 16.62 Favored 'General case' 0 N--CA 1.475 0.796 0 C-N-CA 126.747 2.019 . . . . 0.0 112.953 179.623 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 67.9 m -127.75 175.61 8.18 Favored 'General case' 0 N--CA 1.472 0.642 0 C-N-CA 127.765 2.426 . . . . 0.0 109.747 168.962 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 44.0 mt -70.19 -45.43 75.85 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.898 0 O-C-N 120.812 -1.18 . . . . 0.0 113.732 -169.474 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 89.1 m 58.34 122.18 0.01 OUTLIER 'General case' 0 N--CA 1.477 0.9 0 C-N-CA 126.256 1.822 . . . . 0.0 114.384 -161.7 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 42.4 m -74.79 165.24 25.56 Favored 'General case' 0 N--CA 1.474 0.751 0 O-C-N 121.26 -0.9 . . . . 0.0 111.323 174.017 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -56.78 -32.99 66.19 Favored 'General case' 0 CA--C 1.543 0.679 0 N-CA-C 113.541 0.941 . . . . 0.0 113.541 176.858 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 43.9 m-85 -64.02 -34.33 77.75 Favored 'General case' 0 CA--C 1.539 0.524 0 C-N-CA 124.407 1.083 . . . . 0.0 112.674 174.828 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 46.2 mt-30 -78.46 -47.85 16.59 Favored 'General case' 0 CA--C 1.532 0.276 0 C-N-CA 124.311 1.044 . . . . 0.0 110.413 177.531 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 99.6 mt -60.37 -35.15 75.03 Favored 'General case' 0 CA--C 1.54 0.591 0 N-CA-C 113.028 0.751 . . . . 0.0 113.028 178.56 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 21.6 mt-10 -67.64 -27.41 66.85 Favored 'General case' 0 CA--C 1.542 0.662 0 N-CA-C 113.834 1.05 . . . . 0.0 113.834 173.879 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 97.0 m-20 -66.13 -28.47 68.82 Favored 'General case' 0 N--CA 1.473 0.676 0 CA-C-N 120.008 1.276 . . . . 0.0 111.955 176.152 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 87.3 m-85 -77.07 -10.88 59.67 Favored 'General case' 0 CA--C 1.545 0.783 0 C-N-CA 124.387 1.075 . . . . 0.0 113.701 174.545 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 23.1 t -72.16 -27.12 62.39 Favored 'General case' 0 CA--C 1.546 0.805 0 C-N-CA 123.747 0.819 . . . . 0.0 112.445 171.929 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 59.0 t-20 . . . . . 0 CA--C 1.543 0.695 0 C-N-CA 126.439 1.896 . . . . 0.0 113.622 178.889 . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' B' B ' 1' ' ' PHE . . . . . . . . . . . . . 73.7 t80 . . . . . 0 CA--C 1.541 0.629 0 N-CA-C 112.346 0.499 . . . . 0.0 112.346 . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' B' B ' 2' ' ' VAL . . . . . . . . . . . . . 59.3 t -134.41 128.82 52.21 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.758 0 C-N-CA 125.573 1.549 . . . . 0.0 108.582 173.12 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 3' ' ' ASN . . . . . . . . . . . . . 75.5 m-20 -58.29 122.05 12.26 Favored 'General case' 0 CA--C 1.539 0.52 0 C-N-CA 123.769 0.827 . . . . 0.0 112.333 -174.593 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 4' ' ' GLN . . . . . . . . . . . . . 6.2 pt20 -161.89 145.86 12.46 Favored 'General case' 0 CA--C 1.536 0.418 0 C-N-CA 126.039 1.736 . . . . 0.0 110.267 176.186 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 5' ' ' HIS . . . . . . . . . . . . . 35.6 m-70 -65.72 140.64 58.47 Favored 'General case' 0 N--CA 1.472 0.635 0 C-N-CA 123.785 0.834 . . . . 0.0 110.222 167.427 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 40.0 mt -134.69 129.17 34.36 Favored 'General case' 0 N--CA 1.469 0.516 0 C-N-CA 124.715 1.206 . . . . 0.0 111.369 -168.993 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 7' ' ' CYS . . . . . . . . . . . . . 80.0 m -138.1 148.97 45.52 Favored 'General case' 0 CA--C 1.539 0.541 0 C-N-CA 123.656 0.783 . . . . 0.0 112.145 -167.445 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 8' ' ' GLY . . . . . . . . . . . . . . . 54.16 -130.88 44.82 Favored Glycine 0 CA--C 1.536 1.348 0 C-N-CA 123.964 0.792 . . . . 0.0 113.871 173.898 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 9' ' ' SER . . . . . . . . . . . . . 12.6 t -60.5 -35.39 75.83 Favored 'General case' 0 N--CA 1.473 0.708 0 O-C-N 121.95 -0.735 . . . . 0.0 112.832 178.226 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 10' ' ' HIS . . . . . . . . . . . . . 31.3 m170 -63.96 -33.05 74.85 Favored 'General case' 0 N--CA 1.472 0.66 0 O-C-N 121.244 -0.91 . . . . 0.0 112.616 178.652 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 52.3 tp -69.07 -41.11 78.02 Favored 'General case' 0 CA--C 1.539 0.55 0 C-N-CA 124.241 1.016 . . . . 0.0 111.993 175.031 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 59.8 t -67.11 -40.93 86.37 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.781 0 C-N-CA 124.056 0.942 . . . . 0.0 111.23 176.29 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 52.2 mt-10 -66.43 -44.12 83.77 Favored 'General case' 0 N--CA 1.469 0.501 0 O-C-N 121.417 -0.802 . . . . 0.0 112.147 173.832 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -65.85 -36.03 82.31 Favored 'General case' 0 CA--C 1.538 0.486 0 N-CA-C 113.4 0.889 . . . . 0.0 113.4 -177.006 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 3.3 pp -74.47 -32.71 62.66 Favored 'General case' 0 N--CA 1.471 0.59 0 CA-C-N 119.134 0.879 . . . . 0.0 111.517 177.83 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 16' ' ' TYR . . . . . . . . . . . . . 6.6 t80 -67.17 -41.17 86.42 Favored 'General case' 0 CA--C 1.542 0.656 0 C-N-CA 124.42 1.088 . . . . 0.0 111.186 172.699 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 47.6 mt -69.94 -46.22 65.77 Favored 'General case' 0 N--CA 1.466 0.37 0 C-N-CA 124.406 1.083 . . . . 0.0 112.426 178.61 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 18' ' ' VAL . . . . . . . . . . . . . 4.8 p -70.24 -27.76 33.2 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.855 0 O-C-N 121.492 -0.755 . . . . 0.0 111.928 -177.916 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 19' ' ' CYS . . . . . . . . . . . . . 37.6 t -82.0 -48.71 11.11 Favored 'General case' 0 CA--C 1.54 0.578 0 N-CA-C 113.593 0.96 . . . . 0.0 113.593 175.564 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . -96.34 -19.83 26.9 Favored Glycine 0 CA--C 1.534 1.273 0 N-CA-C 115.631 1.012 . . . . 0.0 115.631 -171.545 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 36.2 mt-10 -140.97 36.72 1.76 Allowed 'General case' 0 N--CA 1.477 0.879 0 C-N-CA 125.16 1.384 . . . . 0.0 112.503 -168.201 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 22' ' ' ARG . . . . . . . . . . . . . 10.3 ptp180 -50.64 -28.34 8.68 Favored 'General case' 0 N--CA 1.481 1.124 0 N-CA-C 116.55 2.056 . . . . 0.0 116.55 -170.859 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . -129.24 16.06 5.76 Favored Glycine 0 N--CA 1.474 1.188 0 C-N-CA 125.021 1.296 . . . . 0.0 114.563 172.063 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 24' ' ' DHI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' B' B ' 25' ' ' PHE . . . . . . . . . . . . . 5.1 m-85 -76.64 -10.51 59.44 Favored 'General case' 0 N--CA 1.47 0.563 0 C-N-CA 126.462 1.905 . . . . 0.0 114.98 -174.374 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 26' ' ' TYR . . . . . . . . . . . . . 17.2 m-85 -125.18 163.9 21.46 Favored 'General case' 0 CA--C 1.54 0.559 0 C-N-CA 127.599 2.359 . . . . 0.0 112.78 -170.933 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 27' ' ' THR . . . . . . . . . . . . . 58.0 m -115.21 112.44 44.09 Favored Pre-proline 0 N--CA 1.476 0.861 0 C-N-CA 124.981 1.313 . . . . 0.0 110.003 176.812 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 28' ' ' PRO . . . . . . . . . . . . . 65.6 Cg_exo -60.59 151.75 73.5 Favored 'Trans proline' 0 CA--C 1.539 0.764 0 C-N-CA 123.547 2.831 . . . . 0.0 113.895 176.863 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 14.4 mmmm -132.91 153.6 51.22 Favored 'General case' 0 N--CA 1.475 0.79 0 C-N-CA 126.425 1.89 . . . . 0.0 110.937 179.573 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 30' ' ' THR . . . . . . . . . . . . . 14.7 t . . . . . 0 C--O 1.252 1.217 0 C-N-CA 126.498 1.919 . . . . 0.0 111.818 178.047 . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.632 0 N-CA-C 112.03 -0.428 . . . . 0.0 112.03 . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 9.2 tt -74.19 -34.11 36.83 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.988 0 C-N-CA 124.676 1.191 . . . . 0.0 113.491 -178.541 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 31.4 t -62.33 138.19 22.96 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.625 0 C-N-CA 124.28 1.032 . . . . 0.0 110.222 171.994 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 44.9 mt-10 58.44 13.26 2.39 Favored 'General case' 0 N--CA 1.477 0.91 0 N-CA-C 115.701 1.741 . . . . 0.0 115.701 -168.79 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 66.1 mm-40 -104.67 -58.27 1.91 Allowed 'General case' 0 N--CA 1.473 0.688 0 C-N-CA 124.337 1.055 . . . . 0.0 110.473 163.1 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 13.9 t -79.61 -12.9 59.82 Favored 'General case' 0 CA--C 1.549 0.931 0 O-C-N 121.285 -0.884 . . . . 0.0 113.36 176.625 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 5.2 t -70.74 -14.78 62.57 Favored 'General case' 0 CA--C 1.551 1.017 0 O-C-N 120.19 -1.568 . . . . 0.0 112.902 171.341 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 6.1 t -128.66 -4.48 5.27 Favored 'General case' 0 N--CA 1.481 1.104 0 C-N-CA 125.587 1.555 . . . . 0.0 114.463 -176.511 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 90.9 p -145.43 157.52 44.0 Favored 'General case' 0 N--CA 1.472 0.63 0 C-N-CA 125.775 1.63 . . . . 0.0 111.229 173.609 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 48.3 mt -72.88 137.92 22.47 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.769 0 O-C-N 120.726 -1.233 . . . . 0.0 110.995 179.825 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 30.8 p -125.91 142.65 51.42 Favored 'General case' 0 CA--C 1.543 0.687 0 C-N-CA 124.545 1.138 . . . . 0.0 111.667 166.979 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 6.9 m -95.58 159.86 14.79 Favored 'General case' 0 N--CA 1.472 0.628 0 C-N-CA 125.685 1.594 . . . . 0.0 110.956 177.768 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 2.6 pt? -58.35 -31.38 67.55 Favored 'General case' 0 CA--C 1.544 0.735 0 O-C-N 121.09 -1.006 . . . . 0.0 113.357 177.46 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 26.8 m-85 -68.1 -25.12 65.16 Favored 'General case' 0 CA--C 1.542 0.662 0 C-N-CA 124.69 1.196 . . . . 0.0 113.363 174.685 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 44.3 mt-30 -84.54 -37.86 20.73 Favored 'General case' 0 N--CA 1.469 0.477 0 C-N-CA 124.888 1.275 . . . . 0.0 111.221 175.36 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 77.4 mt -54.32 -33.48 58.98 Favored 'General case' 0 CA--C 1.545 0.766 0 C-N-CA 124.156 0.982 . . . . 0.0 112.721 174.032 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 42.3 mt-10 -60.21 -24.82 65.13 Favored 'General case' 0 N--CA 1.473 0.692 0 N-CA-C 114.163 1.172 . . . . 0.0 114.163 175.144 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 81.8 m-20 -76.2 -20.98 56.99 Favored 'General case' 0 CA--C 1.543 0.69 0 O-C-N 121.315 -0.866 . . . . 0.0 112.633 176.623 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 96.1 m-85 -94.45 -34.87 12.56 Favored 'General case' 0 CA--C 1.539 0.521 0 C-N-CA 124.789 1.236 . . . . 0.0 113.126 -178.731 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 14.9 p -70.04 -29.89 67.02 Favored 'General case' 0 CA--C 1.542 0.671 0 N-CA-C 113.841 1.052 . . . . 0.0 113.841 -174.832 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 54.8 t-20 . . . . . 0 CA--C 1.541 0.622 0 C-N-CA 125.938 1.695 . . . . 0.0 111.444 -179.134 . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' B' B ' 1' ' ' PHE . . . . . . . . . . . . . 34.2 t80 . . . . . 0 CA--C 1.54 0.567 0 N-CA-C 111.937 0.347 . . . . 0.0 111.937 . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' B' B ' 2' ' ' VAL . . . . . . . . . . . . . 18.0 m -135.7 135.69 50.91 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.792 0 C-N-CA 124.947 1.299 . . . . 0.0 110.224 167.561 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 3' ' ' ASN . . . . . . . . . . . . . 11.9 m-20 -61.97 140.5 58.33 Favored 'General case' 0 N--CA 1.466 0.329 0 CA-C-O 121.634 0.731 . . . . 0.0 112.559 -178.339 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 4' ' ' GLN . . . . . . . . . . . . . 6.7 pt20 -166.33 164.66 17.55 Favored 'General case' 0 CA--C 1.537 0.453 0 C-N-CA 126.05 1.74 . . . . 0.0 109.757 179.993 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 5' ' ' HIS . . . . . . . . . . . . . 24.3 m-70 -72.04 74.37 0.91 Allowed 'General case' 0 CA--C 1.546 0.813 0 C-N-CA 125.381 1.473 . . . . 0.0 110.96 168.098 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 70.9 mt -63.2 137.2 58.14 Favored 'General case' 0 N--CA 1.472 0.658 0 C-N-CA 124.344 1.058 . . . . 0.0 111.756 -179.03 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 7' ' ' CYS . . . . . . . . . . . . . 8.4 t -148.84 159.05 44.53 Favored 'General case' 0 CA--C 1.541 0.629 0 C-N-CA 123.277 0.631 . . . . 0.0 112.681 -178.437 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 8' ' ' GLY . . . . . . . . . . . . . . . 56.73 -137.37 48.61 Favored Glycine 0 CA--C 1.532 1.144 0 C-N-CA 124.455 1.026 . . . . 0.0 113.422 176.051 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 9' ' ' SER . . . . . . . . . . . . . 20.2 m -58.53 -33.17 69.57 Favored 'General case' 0 N--CA 1.471 0.602 0 C-N-CA 123.767 0.827 . . . . 0.0 113.12 178.971 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 10' ' ' HIS . . . . . . . . . . . . . 27.9 m-70 -66.78 -37.6 84.89 Favored 'General case' 0 N--CA 1.473 0.711 0 CA-C-N 118.853 0.751 . . . . 0.0 112.021 179.104 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 48.2 tp -66.0 -43.82 86.6 Favored 'General case' 0 CA--C 1.537 0.463 0 C-N-CA 124.176 0.99 . . . . 0.0 112.085 175.468 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 92.2 t -67.71 -44.37 85.93 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.704 0 C-N-CA 123.848 0.859 . . . . 0.0 111.074 178.455 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 39.1 mt-10 -65.34 -39.73 92.75 Favored 'General case' 0 N--CA 1.468 0.459 0 O-C-N 121.61 -0.681 . . . . 0.0 112.152 176.881 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -63.67 -39.61 94.76 Favored 'General case' 0 CA--C 1.542 0.638 0 CA-C-N 119.169 0.895 . . . . 0.0 113.006 -179.358 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 3.7 pp -79.17 -31.57 43.96 Favored 'General case' 0 N--CA 1.469 0.523 0 O-C-N 121.761 -0.587 . . . . 0.0 111.908 179.163 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 16' ' ' TYR . . . . . . . . . . . . . 4.6 t80 -63.11 -39.65 95.33 Favored 'General case' 0 CA--C 1.538 0.487 0 C-N-CA 123.91 0.884 . . . . 0.0 111.556 170.146 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 36.9 mt -70.9 -51.18 27.72 Favored 'General case' 0 N--CA 1.465 0.287 0 C-N-CA 123.63 0.772 . . . . 0.0 111.9 179.961 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 18' ' ' VAL . . . . . . . . . . . . . 9.1 p -65.2 -31.89 55.86 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.798 0 N-CA-C 112.152 0.427 . . . . 0.0 112.152 -174.492 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 19' ' ' CYS . . . . . . . . . . . . . 73.8 m -92.33 -26.15 18.23 Favored 'General case' 0 CA--C 1.543 0.699 0 N-CA-C 114.115 1.154 . . . . 0.0 114.115 178.616 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . -83.12 -22.87 56.52 Favored Glycine 0 CA--C 1.537 1.431 0 C-N-CA 124.774 1.178 . . . . 0.0 114.84 178.778 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 37.6 tt0 -67.87 144.05 55.45 Favored 'General case' 0 CA--C 1.547 0.827 0 CA-C-N 118.63 1.215 . . . . 0.0 112.404 177.611 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 22' ' ' ARG . . . . . . . . . . . . . 12.2 ptp85 -70.59 -9.73 57.59 Favored 'General case' 0 N--CA 1.48 1.067 0 N-CA-C 115.803 1.779 . . . . 0.0 115.803 -176.642 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . -72.63 -157.37 3.67 Favored Glycine 0 CA--C 1.539 1.589 0 C-N-CA 125.929 1.728 . . . . 0.0 114.991 179.769 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 24' ' ' DHI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' B' B ' 25' ' ' PHE . . . . . . . . . . . . . 47.3 m-85 -70.22 159.12 34.58 Favored 'General case' 0 CA--C 1.542 0.637 0 C-N-CA 125.004 1.322 . . . . 0.0 113.268 -177.305 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 26' ' ' TYR . . . . . . . . . . . . . 72.2 m-85 -66.64 152.57 45.1 Favored 'General case' 0 CA--C 1.54 0.596 0 C-N-CA 124.179 0.992 . . . . 0.0 113.253 177.079 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 27' ' ' THR . . . . . . . . . . . . . 9.8 t -153.56 137.3 10.47 Favored Pre-proline 0 N--CA 1.472 0.674 0 C-N-CA 125.072 1.349 . . . . 0.0 111.012 168.728 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 28' ' ' PRO . . . . . . . . . . . . . 77.9 Cg_endo -74.75 148.15 91.08 Favored 'Cis proline' 0 CA--C 1.543 0.929 0 C-N-CA 129.237 0.932 . . . . 0.0 112.333 -1.524 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 74.8 mmtt 59.09 165.17 0.05 OUTLIER 'General case' 0 N--CA 1.479 0.976 0 C-N-CA 127.467 2.307 . . . . 0.0 114.968 -175.597 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 30' ' ' THR . . . . . . . . . . . . . 23.2 p . . . . . 0 C--O 1.254 1.305 0 C-N-CA 126.857 2.063 . . . . 0.0 112.347 -178.673 . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.679 0 N-CA-C 111.861 -0.496 . . . . 0.0 111.861 . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 2' ' ' ILE . . . . . 0.422 HD11 ' CE2' ' A' ' 19' ' ' TYR . 6.0 tp -71.08 -34.58 55.58 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.066 0 C-N-CA 124.806 1.242 . . . . 0.0 112.886 -179.487 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 24.6 t -66.54 138.92 22.03 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.734 0 C-N-CA 124.163 0.985 . . . . 0.0 110.582 173.647 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 44.6 mt-10 56.2 24.17 7.81 Favored 'General case' 0 N--CA 1.477 0.883 0 C-N-CA 125.669 1.588 . . . . 0.0 114.669 -169.15 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 21.9 mm-40 -116.21 -57.9 2.16 Favored 'General case' 0 N--CA 1.471 0.588 0 C-N-CA 124.499 1.119 . . . . 0.0 110.635 162.682 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 14.7 t -79.76 -10.36 59.78 Favored 'General case' 0 CA--C 1.549 0.911 0 N-CA-C 113.789 1.033 . . . . 0.0 113.789 179.368 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 21.5 t -83.47 -7.59 59.52 Favored 'General case' 0 CA--C 1.551 0.992 0 O-C-N 120.772 -1.205 . . . . 0.0 113.136 171.703 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 8.2 t -123.59 -17.72 6.36 Favored 'General case' 0 N--CA 1.483 1.176 0 C-N-CA 124.982 1.313 . . . . 0.0 114.346 176.561 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 71.1 m -134.98 156.98 48.09 Favored 'General case' 0 N--CA 1.473 0.707 0 C-N-CA 126.259 1.824 . . . . 0.0 110.741 174.195 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 67.1 mt -69.01 141.7 17.08 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.881 0 O-C-N 120.918 -1.114 . . . . 0.0 110.631 176.457 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 19.5 p -131.66 151.71 51.41 Favored 'General case' 0 CA--C 1.542 0.654 0 C-N-CA 124.051 0.94 . . . . 0.0 112.704 168.891 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 70.5 m -107.72 166.81 10.41 Favored 'General case' 0 N--CA 1.474 0.725 0 C-N-CA 126.064 1.746 . . . . 0.0 112.753 178.835 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 92.7 mt -47.06 -45.6 21.85 Favored 'General case' 0 N--CA 1.474 0.754 0 C-N-CA 125.883 1.673 . . . . 0.0 112.078 176.96 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 39.8 m-85 -67.78 -29.65 68.89 Favored 'General case' 0 CA--C 1.538 0.505 0 C-N-CA 124.834 1.254 . . . . 0.0 112.818 -176.494 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 46.5 mt-30 -77.01 -42.26 39.38 Favored 'General case' 0 N--CA 1.464 0.235 0 C-N-CA 123.767 0.827 . . . . 0.0 110.596 176.814 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 85.6 mt -57.98 -39.91 79.38 Favored 'General case' 0 CA--C 1.542 0.642 0 C-N-CA 123.534 0.734 . . . . 0.0 112.009 174.389 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 44.1 mt-10 -61.61 -28.01 69.06 Favored 'General case' 0 N--CA 1.473 0.697 0 N-CA-C 113.702 1.001 . . . . 0.0 113.702 174.042 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 13.5 m-80 -73.1 -22.89 60.48 Favored 'General case' 0 CA--C 1.543 0.697 0 CA-C-N 119.328 0.967 . . . . 0.0 112.941 175.279 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 19' ' ' TYR . . . . . 0.422 ' CE2' HD11 ' A' ' 2' ' ' ILE . 98.5 m-85 -79.75 -34.27 40.01 Favored 'General case' 0 N--CA 1.473 0.69 0 CA-C-N 119.114 0.87 . . . . 0.0 111.983 169.784 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 85.5 m -69.38 -35.95 76.32 Favored 'General case' 0 CA--C 1.543 0.685 0 C-N-CA 123.791 0.836 . . . . 0.0 112.677 174.218 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 47.9 t30 . . . . . 0 CA--C 1.547 0.833 0 C-N-CA 127.474 2.309 . . . . 0.0 113.859 175.848 . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' B' B ' 1' ' ' PHE . . . . . . . . . . . . . 21.7 t80 . . . . . 0 CA--C 1.538 0.493 0 CA-C-O 120.777 0.322 . . . . 0.0 111.865 . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' B' B ' 2' ' ' VAL . . . . . . . . . . . . . 25.1 m -136.7 144.44 32.5 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.818 0 C-N-CA 125.22 1.408 . . . . 0.0 109.85 166.64 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 3' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -49.8 125.41 11.69 Favored 'General case' 0 N--CA 1.47 0.564 0 C-N-CA 123.694 0.798 . . . . 0.0 113.008 177.592 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 4' ' ' GLN . . . . . . . . . . . . . 7.2 pt20 -162.39 152.62 16.67 Favored 'General case' 0 CA--C 1.534 0.364 0 C-N-CA 125.184 1.394 . . . . 0.0 110.286 177.956 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 5' ' ' HIS . . . . . . . . . . . . . 28.5 m-70 -67.68 143.73 55.82 Favored 'General case' 0 CA--C 1.541 0.63 0 C-N-CA 124.103 0.961 . . . . 0.0 109.819 161.072 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 66.5 mt -136.65 135.93 38.7 Favored 'General case' 0 N--CA 1.471 0.61 0 C-N-CA 125.251 1.42 . . . . 0.0 110.835 -175.54 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 7' ' ' CYS . . . . . . . . . . . . . 79.6 m -136.77 152.89 50.82 Favored 'General case' 0 CA--C 1.54 0.578 0 C-N-CA 124.595 1.158 . . . . 0.0 111.89 -172.302 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 8' ' ' GLY . . . . . . . . . . . . . . . 51.89 -129.05 34.47 Favored Glycine 0 CA--C 1.536 1.356 0 C-N-CA 124.101 0.858 . . . . 0.0 114.218 170.09 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 9' ' ' SER . . . . . . . . . . . . . 8.0 t -58.83 -39.88 82.51 Favored 'General case' 0 N--CA 1.472 0.657 0 C-N-CA 123.465 0.706 . . . . 0.0 112.425 178.493 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 10' ' ' HIS . . . . . . . . . . . . . 32.5 m170 -61.17 -35.51 77.33 Favored 'General case' 0 N--CA 1.473 0.713 0 O-C-N 121.4 -0.813 . . . . 0.0 112.529 178.944 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 40.3 tp -70.71 -43.45 68.96 Favored 'General case' 0 CA--C 1.537 0.454 0 C-N-CA 124.004 0.922 . . . . 0.0 112.243 176.857 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 85.0 t -65.19 -43.65 95.44 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.727 0 C-N-CA 123.695 0.798 . . . . 0.0 110.874 176.018 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 33.4 mt-10 -64.35 -41.72 96.6 Favored 'General case' 0 N--CA 1.47 0.535 0 C-N-CA 124.309 1.044 . . . . 0.0 112.055 177.856 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -62.79 -39.84 95.49 Favored 'General case' 0 CA--C 1.541 0.617 0 O-C-N 121.559 -0.713 . . . . 0.0 112.76 179.199 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 3.9 pp -79.63 -34.33 40.64 Favored 'General case' 0 N--CA 1.468 0.463 0 CA-C-N 118.267 0.485 . . . . 0.0 111.602 179.08 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 16' ' ' TYR . . . . . . . . . . . . . 4.8 t80 -58.56 -39.01 79.05 Favored 'General case' 0 CA--C 1.54 0.578 0 C-N-CA 123.999 0.92 . . . . 0.0 111.966 171.428 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 36.5 mt -70.85 -50.08 39.18 Favored 'General case' 0 N--CA 1.465 0.319 0 C-N-CA 123.33 0.652 . . . . 0.0 112.3 -178.819 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 18' ' ' VAL . . . . . . . . . . . . . 10.5 p -71.39 -32.99 48.48 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.66 0 C-N-CA 123.254 0.621 . . . . 0.0 112.507 -176.156 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 19' ' ' CYS . . . . . . . . . . . . . 81.6 m -90.77 -26.26 19.56 Favored 'General case' 0 CA--C 1.543 0.69 0 N-CA-C 113.346 0.869 . . . . 0.0 113.346 -178.53 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . -82.97 -1.64 90.65 Favored Glycine 0 CA--C 1.537 1.42 0 C-N-CA 125.281 1.419 . . . . 0.0 114.876 174.668 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 8.9 tp10 -59.02 146.72 37.26 Favored 'General case' 0 CA--C 1.547 0.83 0 CA-C-N 118.842 1.321 . . . . 0.0 113.061 -177.751 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 22' ' ' ARG . . . . . . . . . . . . . 6.9 mmp_? -79.65 46.17 0.74 Allowed 'General case' 0 N--CA 1.477 0.909 0 C-N-CA 127.031 2.132 . . . . 0.0 113.23 -176.83 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . -75.36 29.29 1.2 Allowed Glycine 0 CA--C 1.539 1.563 0 C-N-CA 126.761 2.124 . . . . 0.0 115.804 -177.099 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 24' ' ' DHI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' B' B ' 25' ' ' PHE . . . . . . . . . . . . . 73.2 m-85 -93.02 133.22 36.38 Favored 'General case' 0 CA--C 1.539 0.52 0 C-N-CA 125.75 1.62 . . . . 0.0 111.83 -172.248 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 26' ' ' TYR . . . . . . . . . . . . . 75.6 m-85 -87.98 140.21 29.72 Favored 'General case' 0 CA--C 1.538 0.519 0 C-N-CA 124.224 1.01 . . . . 0.0 111.65 178.654 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 27' ' ' THR . . . . . . . . . . . . . 70.6 p 39.02 54.47 4.92 Favored Pre-proline 0 N--CA 1.478 0.957 0 C-N-CA 126.893 2.077 . . . . 0.0 115.409 178.452 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 28' ' ' PRO . . . . . . . . . . . . . 88.0 Cg_endo -67.7 155.04 71.62 Favored 'Trans proline' 0 CA--C 1.541 0.841 0 C-N-CA 123.377 2.718 . . . . 0.0 112.883 -177.027 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 68.3 mttm -137.24 154.62 50.11 Favored 'General case' 0 N--CA 1.475 0.776 0 C-N-CA 126.281 1.832 . . . . 0.0 111.188 179.744 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 30' ' ' THR . . . . . . . . . . . . . 24.1 p . . . . . 0 C--O 1.251 1.161 0 C-N-CA 126.598 1.959 . . . . 0.0 112.426 -178.645 . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.479 1.525 0 N-CA-C 111.184 -0.766 . . . . 0.0 111.184 . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 10.2 tt -46.09 -53.18 2.6 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.911 0 C-N-CA 126.146 1.778 . . . . 0.0 115.268 -168.11 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 7.1 p -71.04 -39.82 75.14 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.958 0 CA-C-N 119.092 0.86 . . . . 0.0 112.67 -174.953 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 47.3 mt-10 -76.83 -6.7 53.4 Favored 'General case' 0 N--CA 1.474 0.758 0 N-CA-C 113.734 1.012 . . . . 0.0 113.734 176.174 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 40.7 mt-30 -90.24 -57.31 2.89 Favored 'General case' 0 CA--C 1.538 0.486 0 C-N-CA 124.492 1.117 . . . . 0.0 110.527 164.013 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 76.4 m -110.54 36.1 3.22 Favored 'General case' 0 CA--C 1.545 0.771 0 N-CA-C 114.66 1.355 . . . . 0.0 114.66 -168.22 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 45.0 t -110.82 -18.36 13.13 Favored 'General case' 0 CA--C 1.552 1.049 0 O-C-N 121.323 -0.861 . . . . 0.0 112.904 146.085 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 6.2 t -114.4 -21.68 10.25 Favored 'General case' 0 N--CA 1.483 1.206 0 N-CA-C 114.837 1.421 . . . . 0.0 114.837 -171.242 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 58.2 m -131.11 162.16 30.5 Favored 'General case' 0 N--CA 1.475 0.788 0 C-N-CA 125.652 1.581 . . . . 0.0 111.69 175.832 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 14.0 mt -61.56 130.0 25.2 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.711 0 C-N-CA 123.759 0.823 . . . . 0.0 111.268 176.061 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -90.74 165.65 13.56 Favored 'General case' 0 CA--C 1.539 0.522 0 C-N-CA 124.98 1.312 . . . . 0.0 111.506 173.365 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 76.5 p -126.15 162.42 25.42 Favored 'General case' 0 N--CA 1.469 0.503 0 C-N-CA 124.331 1.053 . . . . 0.0 111.839 168.077 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 1.7 pt? -53.63 -32.42 51.27 Favored 'General case' 0 CA--C 1.534 0.332 0 C-N-CA 123.071 0.548 . . . . 0.0 112.423 165.476 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 28.2 m-85 -69.5 -39.55 77.53 Favored 'General case' 0 CA--C 1.537 0.453 0 C-N-CA 122.943 0.497 . . . . 0.0 111.522 178.639 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 40.5 mt-30 -67.2 -45.29 77.31 Favored 'General case' 0 N--CA 1.47 0.538 0 O-C-N 121.361 -0.837 . . . . 0.0 110.873 173.995 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 74.8 mt -60.74 -36.97 80.21 Favored 'General case' 0 CA--C 1.543 0.7 0 C-N-CA 123.762 0.825 . . . . 0.0 112.278 177.418 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 30.5 mt-10 -65.68 -37.46 86.57 Favored 'General case' 0 CA--C 1.543 0.694 0 C-N-CA 124.219 1.008 . . . . 0.0 112.656 173.054 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 20.6 m-80 -66.08 -36.4 83.09 Favored 'General case' 0 CA--C 1.54 0.587 0 O-C-N 121.233 -0.917 . . . . 0.0 111.995 172.452 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 20.8 m-85 -72.73 -40.21 66.27 Favored 'General case' 0 CA--C 1.538 0.481 0 N-CA-C 112.807 0.669 . . . . 0.0 112.807 179.473 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 13.6 p -74.21 -38.28 63.63 Favored 'General case' 0 CA--C 1.543 0.68 0 N-CA-C 112.789 0.662 . . . . 0.0 112.789 -177.343 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 49.6 t30 . . . . . 0 CA--C 1.549 0.915 0 C-N-CA 127.34 2.256 . . . . 0.0 113.504 178.468 . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' B' B ' 1' ' ' PHE . . . . . . . . . . . . . 64.5 t80 . . . . . 0 CA--C 1.541 0.632 0 N-CA-C 112.368 0.507 . . . . 0.0 112.368 . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' B' B ' 2' ' ' VAL . . . . . . . . . . . . . 21.1 m -134.83 139.24 47.86 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.741 0 C-N-CA 125.137 1.375 . . . . 0.0 110.383 167.411 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 3' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -51.06 130.45 25.89 Favored 'General case' 0 N--CA 1.47 0.561 0 C-N-CA 124.326 1.051 . . . . 0.0 113.783 -179.628 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 4' ' ' GLN . . . . . . . . . . . . . 8.3 pt20 -162.41 151.08 14.87 Favored 'General case' 0 CA--C 1.537 0.473 0 C-N-CA 125.298 1.439 . . . . 0.0 110.991 178.637 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 5' ' ' HIS . . . . . . . . . . . . . 48.6 m-70 -66.17 -38.7 88.7 Favored 'General case' 0 N--CA 1.476 0.872 0 N-CA-C 114.807 1.41 . . . . 0.0 114.807 -178.372 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 41.0 mt 56.29 179.62 0.04 OUTLIER 'General case' 0 CA--C 1.553 1.068 0 C-N-CA 126.028 1.731 . . . . 0.0 112.662 -167.009 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 7' ' ' CYS . . . . . . . . . . . . . 12.9 t -162.53 -179.63 7.06 Favored 'General case' 0 CA--C 1.549 0.908 0 C-N-CA 126.401 1.881 . . . . 0.0 109.189 160.851 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 8' ' ' GLY . . . . . . . . . . . . . . . -48.61 147.5 5.14 Favored Glycine 0 CA--C 1.531 1.055 0 C-N-CA 125.149 1.357 . . . . 0.0 116.222 -177.204 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 9' ' ' SER . . . . . . . . . . . . . 52.8 p 59.03 -35.86 0.06 Allowed 'General case' 0 N--CA 1.479 0.986 0 C-N-CA 128.853 2.861 . . . . 0.0 115.464 -165.803 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 10' ' ' HIS . . . . . . . . . . . . . 26.9 m-70 -73.5 -36.88 65.82 Favored 'General case' 0 N--CA 1.479 0.987 0 O-C-N 121.223 -0.923 . . . . 0.0 110.921 174.387 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 48.3 tp -63.72 -34.62 78.28 Favored 'General case' 0 CA--C 1.542 0.64 0 C-N-CA 127.769 2.428 . . . . 0.0 112.459 171.525 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 40.9 t -72.43 -38.61 61.01 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.859 0 C-N-CA 124.021 0.928 . . . . 0.0 110.843 175.574 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 43.4 mt-10 -66.53 -40.55 89.17 Favored 'General case' 0 CA--C 1.539 0.553 0 O-C-N 121.317 -0.864 . . . . 0.0 112.022 170.226 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -61.19 -40.67 94.81 Favored 'General case' 0 CA--C 1.542 0.656 0 O-C-N 121.281 -0.887 . . . . 0.0 113.011 -179.627 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 3.9 pp -75.4 -34.5 61.08 Favored 'General case' 0 N--CA 1.47 0.544 0 O-C-N 121.709 -0.62 . . . . 0.0 112.064 177.795 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 16' ' ' TYR . . . . . . . . . . . . . 1.0 OUTLIER -61.96 -40.51 95.83 Favored 'General case' 0 CA--C 1.54 0.571 0 C-N-CA 123.414 0.686 . . . . 0.0 111.414 171.792 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 38.2 mt -70.31 -46.17 64.77 Favored 'General case' 0 CA--C 1.533 0.294 0 C-N-CA 123.874 0.87 . . . . 0.0 112.587 -178.445 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 18' ' ' VAL . . . . . . . . . . . . . 9.7 p -74.59 -27.37 20.87 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.745 0 N-CA-C 112.865 0.691 . . . . 0.0 112.865 -175.423 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 19' ' ' CYS . . . . . . . . . . . . . 78.8 m -99.29 -27.13 13.92 Favored 'General case' 0 CA--C 1.541 0.605 0 N-CA-C 114.651 1.352 . . . . 0.0 114.651 -179.807 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . 75.35 -1.71 55.51 Favored Glycine 0 CA--C 1.538 1.497 0 C-N-CA 124.888 1.233 . . . . 0.0 114.724 -170.197 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 37.6 mt-10 -81.28 127.04 32.28 Favored 'General case' 0 N--CA 1.471 0.605 0 CA-C-N 118.841 1.32 . . . . 0.0 110.938 -179.679 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 22' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -128.69 13.51 6.41 Favored 'General case' 0 N--CA 1.478 0.931 0 N-CA-C 115.443 1.646 . . . . 0.0 115.443 -163.898 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . -157.73 -168.11 19.66 Favored Glycine 0 CA--C 1.533 1.19 0 C-N-CA 125.088 1.328 . . . . 0.0 113.548 -175.294 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 24' ' ' DHI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' B' B ' 25' ' ' PHE . . . . . . . . . . . . . 61.0 m-85 -69.89 159.71 33.18 Favored 'General case' 0 CA--C 1.542 0.663 0 C-N-CA 125.047 1.339 . . . . 0.0 112.903 178.796 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 26' ' ' TYR . . . . . . . . . . . . . 65.6 m-85 -68.62 164.16 22.09 Favored 'General case' 0 CA--C 1.543 0.689 0 C-N-CA 124.189 0.996 . . . . 0.0 112.194 171.759 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 27' ' ' THR . . . . . . . . . . . . . 22.8 m -54.58 -49.39 91.39 Favored Pre-proline 0 N--CA 1.479 0.993 0 C-N-CA 124.305 1.042 . . . . 0.0 113.346 177.706 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 28' ' ' PRO . . . . . . . . . . . . . 72.6 Cg_endo -71.37 121.36 7.69 Favored 'Trans proline' 0 CA--C 1.541 0.848 0 C-N-CA 122.688 2.259 . . . . 0.0 110.974 165.852 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 23.4 tptm -150.15 -46.98 0.13 Allowed 'General case' 0 N--CA 1.48 1.037 0 C-N-CA 125.216 1.406 . . . . 0.0 111.961 177.121 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 30' ' ' THR . . . . . . . . . . . . . 7.1 m . . . . . 0 C--O 1.254 1.298 0 C-N-CA 127.726 2.41 . . . . 0.0 113.572 173.534 . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.644 0 N-CA-C 111.779 -0.528 . . . . 0.0 111.779 . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 15.9 tt -78.67 -36.86 20.07 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.988 0 C-N-CA 124.777 1.231 . . . . 0.0 112.875 -179.098 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 42.4 t -67.25 146.78 12.92 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.7 0 C-N-CA 124.299 1.04 . . . . 0.0 109.727 164.097 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 43.9 mt-10 61.37 7.15 1.62 Allowed 'General case' 0 N--CA 1.482 1.134 0 C-N-CA 125.91 1.684 . . . . 0.0 115.478 -164.986 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 1.7 mp0 -113.74 -42.93 3.35 Favored 'General case' 0 N--CA 1.475 0.784 0 C-N-CA 125.365 1.466 . . . . 0.0 112.293 167.817 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 75.7 m -98.92 -24.9 14.78 Favored 'General case' 0 N--CA 1.476 0.845 0 N-CA-C 113.64 0.978 . . . . 0.0 113.64 177.256 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 65.3 m -71.05 -5.67 33.13 Favored 'General case' 0 CA--C 1.55 0.95 0 O-C-N 121.128 -0.982 . . . . 0.0 113.007 173.682 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 45.3 p -133.05 -26.54 1.71 Allowed 'General case' 0 N--CA 1.476 0.856 0 C-N-CA 126.693 1.997 . . . . 0.0 113.351 -160.787 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 66.0 m -139.3 156.71 46.85 Favored 'General case' 0 N--CA 1.47 0.566 0 C-N-CA 127.769 2.428 . . . . 0.0 109.409 170.789 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 11.7 mt -64.05 140.54 19.51 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.791 0 O-C-N 121.15 -0.969 . . . . 0.0 111.297 179.751 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 61.8 m -121.16 104.76 10.0 Favored 'General case' 0 CA--C 1.538 0.509 0 C-N-CA 124.771 1.229 . . . . 0.0 111.413 172.885 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 49.6 m -75.36 169.52 17.9 Favored 'General case' 0 N--CA 1.473 0.703 0 C-N-CA 125.507 1.523 . . . . 0.0 111.891 171.698 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 88.8 mt -46.59 -46.06 19.33 Favored 'General case' 0 N--CA 1.474 0.74 0 C-N-CA 124.563 1.145 . . . . 0.0 111.589 173.989 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 54.9 m-85 -67.39 -21.35 65.6 Favored 'General case' 0 CA--C 1.541 0.623 0 C-N-CA 125.19 1.396 . . . . 0.0 114.183 -176.985 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 42.9 mt-30 -87.73 -46.95 9.03 Favored 'General case' 0 N--CA 1.469 0.512 0 C-N-CA 125.277 1.431 . . . . 0.0 110.524 173.617 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 96.2 mt -60.16 -29.68 68.82 Favored 'General case' 0 CA--C 1.546 0.809 0 C-N-CA 124.792 1.237 . . . . 0.0 113.08 176.605 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 26.1 mt-10 -54.87 -31.89 60.17 Favored 'General case' 0 N--CA 1.474 0.754 0 C-N-CA 125.0 1.32 . . . . 0.0 114.024 171.559 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 51.4 m-80 -69.6 -30.89 68.75 Favored 'General case' 0 N--CA 1.472 0.672 0 CA-C-N 119.487 1.039 . . . . 0.0 111.944 178.547 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 74.8 m-85 -81.46 -25.9 35.7 Favored 'General case' 0 CA--C 1.541 0.612 0 C-N-CA 124.01 0.924 . . . . 0.0 112.559 175.537 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 39.0 t -67.72 -45.68 74.37 Favored 'General case' 0 CA--C 1.543 0.702 0 C-N-CA 123.874 0.87 . . . . 0.0 111.733 166.414 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 50.7 t-20 . . . . . 0 CA--C 1.542 0.639 0 C-N-CA 125.262 1.425 . . . . 0.0 111.409 178.903 . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' B' B ' 1' ' ' PHE . . . . . . . . . . . . . 36.1 t80 . . . . . 0 CA--C 1.54 0.559 0 CA-C-O 121.125 0.488 . . . . 0.0 112.263 . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' B' B ' 2' ' ' VAL . . . . . . . . . . . . . 59.8 t -132.95 123.02 47.6 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.659 0 C-N-CA 125.854 1.661 . . . . 0.0 107.286 165.787 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 3' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -67.68 153.7 43.13 Favored 'General case' 0 CA--C 1.539 0.544 0 N-CA-C 114.761 1.393 . . . . 0.0 114.761 -172.303 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 4' ' ' GLN . . . . . . . . . . . . . 10.3 pt20 -154.44 -157.56 0.77 Allowed 'General case' 0 CA--C 1.542 0.649 0 C-N-CA 128.806 2.842 . . . . 0.0 106.102 166.83 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 5' ' ' HIS . . . . . . . . . . . . . 22.1 m-70 -81.48 74.56 8.47 Favored 'General case' 0 C--N 1.32 -0.679 0 C-N-CA 125.686 1.595 . . . . 0.0 110.679 175.743 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -65.87 139.31 58.28 Favored 'General case' 0 N--CA 1.472 0.666 0 O-C-N 121.61 -0.681 . . . . 0.0 112.085 -172.017 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 7' ' ' CYS . . . . . . . . . . . . . 2.5 t -147.34 152.05 37.57 Favored 'General case' 0 CA--C 1.54 0.596 0 C-N-CA 123.596 0.758 . . . . 0.0 111.771 177.534 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 8' ' ' GLY . . . . . . . . . . . . . . . 55.11 -129.51 45.9 Favored Glycine 0 CA--C 1.535 1.296 0 C-N-CA 123.925 0.774 . . . . 0.0 113.339 -179.388 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 9' ' ' SER . . . . . . . . . . . . . 18.4 m -56.93 -37.49 71.56 Favored 'General case' 0 N--CA 1.472 0.643 0 C-N-CA 124.759 1.224 . . . . 0.0 113.419 178.49 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 10' ' ' HIS . . . . . . . . . . . . . 28.0 m80 -66.55 -30.34 70.62 Favored 'General case' 0 N--CA 1.471 0.589 0 O-C-N 121.121 -0.987 . . . . 0.0 112.136 177.111 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -72.23 -50.59 26.17 Favored 'General case' 0 CA--C 1.536 0.404 0 C-N-CA 124.331 1.052 . . . . 0.0 111.201 174.631 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 1.3 p -67.06 -36.81 77.99 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.647 0 N-CA-C 112.187 0.44 . . . . 0.0 112.187 -175.011 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 40.9 mt-10 -68.75 -40.84 79.59 Favored 'General case' 0 CA--C 1.538 0.515 0 O-C-N 121.603 -0.686 . . . . 0.0 112.289 173.546 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -64.71 -38.72 91.95 Favored 'General case' 0 CA--C 1.54 0.594 0 O-C-N 121.267 -0.896 . . . . 0.0 112.719 179.044 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 2.1 pp -76.17 -34.25 59.35 Favored 'General case' 0 N--CA 1.469 0.479 0 O-C-N 121.734 -0.604 . . . . 0.0 111.237 177.455 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 16' ' ' TYR . . . . . . . . . . . . . 2.2 t80 -60.14 -39.4 86.17 Favored 'General case' 0 CA--C 1.54 0.585 0 C-N-CA 123.656 0.782 . . . . 0.0 111.926 172.399 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 34.1 mt -67.05 -47.2 72.07 Favored 'General case' 0 N--CA 1.465 0.32 0 C-N-CA 123.356 0.662 . . . . 0.0 111.447 -178.038 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 18' ' ' VAL . . . . . . . . . . . . . 7.9 p -72.88 -31.63 36.83 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.605 0 N-CA-C 112.672 0.619 . . . . 0.0 112.672 178.79 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 19' ' ' CYS . . . . . . . . . . . . . 4.2 t -76.51 -25.77 54.53 Favored 'General case' 0 CA--C 1.544 0.734 0 O-C-N 121.647 -0.658 . . . . 0.0 112.687 177.809 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . -75.94 -10.31 85.11 Favored Glycine 0 CA--C 1.541 1.682 0 C-N-CA 124.93 1.252 . . . . 0.0 114.358 165.108 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 9.6 tt0 -99.68 -150.77 0.38 Allowed 'General case' 0 CA--C 1.555 1.144 0 C-N-CA 126.129 1.772 . . . . 0.0 110.453 173.76 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 22' ' ' ARG . . . . . . . . . . . . . 12.2 mmt180 48.37 34.85 5.0 Favored 'General case' 0 CA--C 1.544 0.724 0 C-N-CA 127.605 2.362 . . . . 0.0 115.776 173.953 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . -74.32 -168.1 18.45 Favored Glycine 0 CA--C 1.536 1.366 0 C-N-CA 125.071 1.32 . . . . 0.0 113.801 176.139 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 24' ' ' DHI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' B' B ' 25' ' ' PHE . . . . . . . . . . . . . 13.7 m-85 -74.88 -13.7 60.58 Favored 'General case' 0 N--CA 1.469 0.507 0 C-N-CA 126.735 2.014 . . . . 0.0 114.996 -178.772 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 26' ' ' TYR . . . . . . . . . . . . . 69.2 m-85 -105.26 137.28 43.31 Favored 'General case' 0 C--N 1.323 -0.568 0 C-N-CA 127.462 2.305 . . . . 0.0 112.068 -176.714 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 27' ' ' THR . . . . . . . . . . . . . 51.6 m -138.2 110.27 8.36 Favored Pre-proline 0 N--CA 1.476 0.838 0 C-N-CA 124.914 1.286 . . . . 0.0 109.856 178.584 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 28' ' ' PRO . . . . . . . . . . . . . 71.7 Cg_endo -72.83 154.03 53.55 Favored 'Trans proline' 0 CA--C 1.54 0.777 0 C-N-CA 123.076 2.518 . . . . 0.0 112.353 177.179 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 1.2 tmmt? -148.84 -47.48 0.15 Allowed 'General case' 0 CA--C 1.544 0.75 0 C-N-CA 126.472 1.909 . . . . 0.0 112.362 176.939 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 30' ' ' THR . . . . . . . . . . . . . 56.1 m . . . . . 0 N--CA 1.484 1.265 0 C-N-CA 130.812 3.645 . . . . 0.0 109.713 -9.009 . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.603 0 CA-C-O 121.07 0.261 . . . . 0.0 112.646 . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 15.2 tt -74.52 -45.71 44.86 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.869 0 C-N-CA 125.431 1.492 . . . . 0.0 114.145 -176.182 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 8.3 p -62.6 -44.94 99.83 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.955 0 O-C-N 121.422 -0.799 . . . . 0.0 112.485 -168.419 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 12.3 pt-20 -69.38 -17.59 63.69 Favored 'General case' 0 CA--C 1.548 0.873 0 N-CA-C 113.776 1.028 . . . . 0.0 113.776 176.357 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -88.86 -29.0 19.99 Favored 'General case' 0 N--CA 1.47 0.543 0 C-N-CA 125.181 1.393 . . . . 0.0 113.002 176.828 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 95.0 m -113.65 -30.55 6.77 Favored 'General case' 0 CA--C 1.543 0.688 0 N-CA-C 114.726 1.38 . . . . 0.0 114.726 -172.819 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 14.9 t -82.61 -27.78 31.23 Favored 'General case' 0 N--CA 1.474 0.759 0 CA-C-N 119.663 1.119 . . . . 0.0 113.182 -169.291 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 6.6 t -109.25 -14.6 14.45 Favored 'General case' 0 N--CA 1.48 1.065 0 C-N-CA 125.404 1.482 . . . . 0.0 113.874 -177.679 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 61.3 p -149.78 165.52 32.22 Favored 'General case' 0 N--CA 1.471 0.579 0 C-N-CA 126.173 1.789 . . . . 0.0 111.385 179.54 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 35.7 mt -66.69 137.65 24.44 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.819 0 O-C-N 121.357 -0.839 . . . . 0.0 111.401 -178.061 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 14.6 p -130.58 156.89 44.09 Favored 'General case' 0 CA--C 1.542 0.653 0 C-N-CA 124.327 1.051 . . . . 0.0 112.345 169.881 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 66.1 m -118.84 164.86 14.78 Favored 'General case' 0 N--CA 1.475 0.814 0 C-N-CA 124.664 1.186 . . . . 0.0 113.912 -164.231 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 81.1 mt -51.31 -40.29 58.69 Favored 'General case' 0 N--CA 1.474 0.765 0 C-N-CA 125.752 1.621 . . . . 0.0 112.709 -178.78 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 53.5 m-85 -63.1 -31.32 72.44 Favored 'General case' 0 CA--C 1.54 0.587 0 C-N-CA 124.235 1.014 . . . . 0.0 112.994 179.961 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 39.8 mt-30 -80.36 -43.57 20.89 Favored 'General case' 0 N--CA 1.468 0.451 0 C-N-CA 124.5 1.12 . . . . 0.0 110.422 174.585 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 67.6 mt -60.42 -35.88 76.84 Favored 'General case' 0 CA--C 1.544 0.726 0 C-N-CA 124.415 1.086 . . . . 0.0 112.808 179.553 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 42.0 mt-10 -63.6 -41.42 98.33 Favored 'General case' 0 N--CA 1.474 0.768 0 O-C-N 121.283 -0.886 . . . . 0.0 112.644 169.607 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 85.8 m-20 -68.09 -32.75 73.29 Favored 'General case' 0 CA--C 1.542 0.668 0 O-C-N 121.583 -0.698 . . . . 0.0 112.189 179.637 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 25.6 m-85 -70.97 -29.44 65.44 Favored 'General case' 0 N--CA 1.47 0.571 0 N-CA-C 112.825 0.676 . . . . 0.0 112.825 173.057 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 35.2 t -72.35 -43.86 63.45 Favored 'General case' 0 CA--C 1.545 0.76 0 O-C-N 121.669 -0.645 . . . . 0.0 111.872 171.368 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 50.6 t-20 . . . . . 0 CA--C 1.542 0.641 0 C-N-CA 125.153 1.381 . . . . 0.0 111.473 179.556 . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' B' B ' 1' ' ' PHE . . . . . . . . . . . . . 33.3 t80 . . . . . 0 CA--C 1.539 0.528 0 N-CA-C 112.013 0.375 . . . . 0.0 112.013 . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' B' B ' 2' ' ' VAL . . . . . . . . . . . . . 17.3 m -135.03 139.23 47.64 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.771 0 C-N-CA 125.309 1.444 . . . . 0.0 109.326 163.524 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 3' ' ' ASN . . . . . . . . . . . . . 40.8 p30 -63.97 150.1 45.88 Favored 'General case' 0 CA--C 1.533 0.296 0 CA-C-O 123.144 1.45 . . . . 0.0 113.267 176.274 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 4' ' ' GLN . . . . . . . . . . . . . 7.4 pt20 -167.52 166.79 14.04 Favored 'General case' 0 N--CA 1.444 -0.739 0 C-N-CA 127.521 2.328 . . . . 0.0 108.005 -170.742 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 5' ' ' HIS . . . . . . . . . . . . . 12.9 m-70 -63.38 132.27 50.95 Favored 'General case' 0 C--N 1.321 -0.666 0 C-N-CA 125.572 1.549 . . . . 0.0 109.257 164.19 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 63.5 mt -138.02 128.34 26.16 Favored 'General case' 0 N--CA 1.467 0.422 0 C-N-CA 125.309 1.444 . . . . 0.0 110.787 -172.023 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 7' ' ' CYS . . . . . . . . . . . . . 1.8 t -152.61 160.76 43.18 Favored 'General case' 0 CA--C 1.542 0.635 0 C-N-CA 123.319 0.648 . . . . 0.0 112.166 -179.196 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 8' ' ' GLY . . . . . . . . . . . . . . . 58.72 -135.82 51.64 Favored Glycine 0 CA--C 1.536 1.369 0 C-N-CA 123.704 0.669 . . . . 0.0 113.09 -179.416 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 9' ' ' SER . . . . . . . . . . . . . 9.6 t -59.74 -37.78 79.9 Favored 'General case' 0 N--CA 1.474 0.728 0 O-C-N 121.965 -0.727 . . . . 0.0 112.424 177.984 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 10' ' ' HIS . . . . . . . . . . . . . 33.5 m80 -60.57 -36.18 77.88 Favored 'General case' 0 N--CA 1.473 0.712 0 O-C-N 121.513 -0.742 . . . . 0.0 112.631 179.47 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 47.2 tp -67.46 -42.33 83.21 Favored 'General case' 0 CA--C 1.536 0.426 0 C-N-CA 124.186 0.995 . . . . 0.0 112.507 175.947 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 68.8 t -67.61 -42.91 87.14 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.672 0 C-N-CA 123.803 0.841 . . . . 0.0 110.732 176.428 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 33.5 mt-10 -64.31 -42.01 96.56 Favored 'General case' 0 CA--C 1.537 0.478 0 C-N-CA 124.311 1.044 . . . . 0.0 111.995 177.021 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -63.62 -38.71 92.14 Favored 'General case' 0 CA--C 1.539 0.541 0 O-C-N 121.402 -0.811 . . . . 0.0 113.169 -179.92 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 3.9 pp -78.89 -31.85 45.58 Favored 'General case' 0 N--CA 1.47 0.531 0 CA-C-N 118.559 0.618 . . . . 0.0 111.945 177.151 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 16' ' ' TYR . . . . . . . . . . . . . 3.0 t80 -62.82 -40.1 96.37 Favored 'General case' 0 CA--C 1.539 0.549 0 C-N-CA 123.796 0.838 . . . . 0.0 111.861 171.454 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 30.0 mt -68.86 -45.68 70.44 Favored 'General case' 0 N--CA 1.467 0.4 0 C-N-CA 123.715 0.806 . . . . 0.0 111.846 -176.899 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 18' ' ' VAL . . . . . . . . . . . . . 10.6 p -73.26 -33.78 42.23 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.609 0 C-N-CA 122.932 0.493 . . . . 0.0 112.258 -179.926 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 19' ' ' CYS . . . . . . . . . . . . . 9.2 t -81.11 -31.63 34.19 Favored 'General case' 0 CA--C 1.541 0.629 0 N-CA-C 112.814 0.672 . . . . 0.0 112.814 -178.436 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . -79.42 -6.01 89.06 Favored Glycine 0 CA--C 1.536 1.384 0 C-N-CA 125.222 1.392 . . . . 0.0 115.167 175.218 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 37.7 tt0 -59.48 138.77 57.57 Favored 'General case' 0 CA--C 1.544 0.725 0 CA-C-N 118.902 1.351 . . . . 0.0 112.198 179.86 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 22' ' ' ARG . . . . . . . . . . . . . 15.7 mmm180 -76.37 -25.97 55.17 Favored 'General case' 0 N--CA 1.478 0.958 0 N-CA-C 114.674 1.361 . . . . 0.0 114.674 -163.981 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . 66.83 -169.3 34.85 Favored Glycine 0 CA--C 1.538 1.521 0 C-N-CA 124.362 0.982 . . . . 0.0 113.862 -175.395 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 24' ' ' DHI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' B' B ' 25' ' ' PHE . . . . . . . . . . . . . 32.0 m-85 -72.31 -176.34 1.81 Allowed 'General case' 0 CA--C 1.546 0.794 0 C-N-CA 125.938 1.695 . . . . 0.0 112.134 174.616 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 26' ' ' TYR . . . . . . . . . . . . . 14.1 m-85 -76.81 9.09 3.08 Favored 'General case' 0 N--CA 1.48 1.07 0 N-CA-C 116.616 2.08 . . . . 0.0 116.616 -169.637 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 27' ' ' THR . . . . . . . . . . . . . 85.4 m -123.0 -58.2 0.03 OUTLIER Pre-proline 0 N--CA 1.48 1.048 0 C-N-CA 127.552 2.341 . . . . 0.0 113.757 178.231 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 28' ' ' PRO . . . . . . . . . . . . . 70.8 Cg_endo -68.32 159.62 52.52 Favored 'Trans proline' 0 CA--C 1.541 0.851 0 C-N-CA 123.169 2.579 . . . . 0.0 113.234 177.127 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 58.9 mtmt -139.93 154.24 47.16 Favored 'General case' 0 N--CA 1.475 0.815 0 C-N-CA 125.861 1.664 . . . . 0.0 111.717 179.952 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 30' ' ' THR . . . . . . . . . . . . . 18.3 p . . . . . 0 C--O 1.252 1.226 0 C-N-CA 126.267 1.827 . . . . 0.0 113.351 175.571 . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.479 1.532 0 N-CA-C 112.383 -0.287 . . . . 0.0 112.383 . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 6.2 tp -55.9 -41.36 66.79 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.008 0 C-N-CA 125.553 1.541 . . . . 0.0 114.465 -170.23 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 8.3 t -71.14 -54.52 17.23 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.01 0 O-C-N 121.169 -0.957 . . . . 0.0 111.279 -176.444 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 24.3 pt-20 -68.42 -9.39 48.15 Favored 'General case' 0 CA--C 1.542 0.665 0 C-N-CA 125.203 1.401 . . . . 0.0 113.992 -179.353 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 42.2 mt-30 -98.42 -42.62 7.26 Favored 'General case' 0 CA--C 1.54 0.562 0 C-N-CA 124.776 1.23 . . . . 0.0 112.304 172.696 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 78.2 m -99.32 -11.51 21.17 Favored 'General case' 0 CA--C 1.544 0.729 0 N-CA-C 115.97 1.841 . . . . 0.0 115.97 -175.47 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 43.2 t -90.68 -25.1 20.24 Favored 'General case' 0 N--CA 1.477 0.916 0 CA-C-N 119.835 1.198 . . . . 0.0 112.635 175.477 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 12.0 t -80.5 -31.5 37.18 Favored 'General case' 0 N--CA 1.478 0.933 0 C-N-CA 124.532 1.133 . . . . 0.0 113.317 177.69 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 84.0 p -153.04 168.89 24.35 Favored 'General case' 0 N--CA 1.473 0.681 0 C-N-CA 125.691 1.596 . . . . 0.0 111.63 177.365 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 55.4 mt -58.32 139.39 18.06 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.823 0 C-N-CA 124.344 1.057 . . . . 0.0 111.951 -177.974 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 22.8 m -112.85 135.25 53.82 Favored 'General case' 0 CA--C 1.536 0.422 0 C-N-CA 124.331 1.052 . . . . 0.0 111.477 164.769 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 48.5 m -86.23 165.65 16.33 Favored 'General case' 0 N--CA 1.468 0.462 0 C-N-CA 125.199 1.399 . . . . 0.0 112.433 175.181 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 6.9 mp -47.29 -51.39 19.27 Favored 'General case' 0 N--CA 1.473 0.691 0 C-N-CA 124.812 1.245 . . . . 0.0 111.012 170.188 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 35.2 m-85 -60.57 -20.66 61.1 Favored 'General case' 0 CA--C 1.541 0.606 0 C-N-CA 127.018 2.127 . . . . 0.0 114.452 -179.258 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 44.8 mt-30 -89.75 -50.2 6.2 Favored 'General case' 0 N--CA 1.468 0.461 0 C-N-CA 125.269 1.427 . . . . 0.0 111.001 174.336 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 94.5 mt -59.67 -33.68 71.87 Favored 'General case' 0 CA--C 1.541 0.601 0 C-N-CA 124.33 1.052 . . . . 0.0 112.954 -179.442 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 35.8 mt-10 -62.0 -21.25 64.7 Favored 'General case' 0 CA--C 1.544 0.745 0 N-CA-C 114.597 1.332 . . . . 0.0 114.597 177.799 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 52.9 m-80 -72.33 -39.63 68.02 Favored 'General case' 0 N--CA 1.475 0.782 0 CA-C-N 119.674 1.125 . . . . 0.0 111.718 175.63 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 79.7 m-85 -67.91 -23.13 65.06 Favored 'General case' 0 CA--C 1.541 0.632 0 C-N-CA 124.594 1.158 . . . . 0.0 112.513 178.389 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 73.1 m -73.77 0.56 12.7 Favored 'General case' 0 CA--C 1.545 0.756 0 C-N-CA 125.728 1.611 . . . . 0.0 114.731 172.227 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 60.1 t30 . . . . . 0 CA--C 1.539 0.526 0 C-N-CA 126.239 1.815 . . . . 0.0 113.717 165.314 . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' B' B ' 1' ' ' PHE . . . . . . . . . . . . . 74.3 t80 . . . . . 0 CA--C 1.54 0.591 0 N-CA-C 112.694 0.627 . . . . 0.0 112.694 . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' B' B ' 2' ' ' VAL . . . . . . . . . . . . . 17.5 m -132.97 139.99 48.3 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.697 0 C-N-CA 125.58 1.552 . . . . 0.0 109.693 165.055 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 3' ' ' ASN . . . . . . . . . . . . . 5.9 m-20 -48.16 139.54 8.24 Favored 'General case' 0 CA--C 1.54 0.562 0 N-CA-C 114.1 1.148 . . . . 0.0 114.1 -173.165 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 4' ' ' GLN . . . . . . . . . . . . . 6.5 pt20 -168.63 166.32 11.89 Favored 'General case' 0 CA--C 1.539 0.55 0 C-N-CA 126.364 1.865 . . . . 0.0 109.772 176.611 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 5' ' ' HIS . . . . . . . . . . . . . 21.6 m-70 -70.93 140.47 50.97 Favored 'General case' 0 N--CA 1.472 0.66 0 C-N-CA 124.802 1.241 . . . . 0.0 109.787 162.736 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 75.8 mt -140.53 125.47 18.33 Favored 'General case' 0 N--CA 1.47 0.549 0 C-N-CA 124.232 1.013 . . . . 0.0 112.673 -167.198 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 7' ' ' CYS . . . . . . . . . . . . . 87.2 m -131.99 -93.64 0.37 Allowed 'General case' 0 CA--C 1.546 0.815 0 N-CA-C 114.023 1.12 . . . . 0.0 114.023 -167.575 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 8' ' ' GLY . . . . . . . . . . . . . . . -100.74 118.01 6.05 Favored Glycine 0 N--CA 1.471 0.991 0 C-N-CA 124.654 1.121 . . . . 0.0 112.898 -173.143 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 9' ' ' SER . . . . . . . . . . . . . 69.9 m 57.27 -35.13 0.04 OUTLIER 'General case' 0 N--CA 1.478 0.949 0 C-N-CA 129.515 3.126 . . . . 0.0 115.646 -170.815 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 10' ' ' HIS . . . . . . . . . . . . . 35.2 m170 -55.72 -39.96 71.79 Favored 'General case' 0 N--CA 1.47 0.555 0 C-N-CA 125.804 1.642 . . . . 0.0 111.511 174.335 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 63.5 tp -62.21 -37.7 86.34 Favored 'General case' 0 CA--C 1.538 0.485 0 C-N-CA 126.158 1.783 . . . . 0.0 113.545 177.179 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 41.0 t -75.78 -42.57 40.42 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.67 0 C-N-CA 123.644 0.777 . . . . 0.0 110.356 176.616 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 50.2 mt-10 -61.72 -41.95 98.3 Favored 'General case' 0 CA--C 1.537 0.449 0 C-N-CA 123.388 0.675 . . . . 0.0 112.1 175.804 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -62.65 -42.63 99.71 Favored 'General case' 0 CA--C 1.538 0.498 0 O-C-N 121.424 -0.797 . . . . 0.0 113.063 -179.165 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 4.1 pp -76.22 -32.29 58.87 Favored 'General case' 0 CA--C 1.538 0.492 0 O-C-N 122.173 -0.329 . . . . 0.0 111.47 178.773 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 16' ' ' TYR . . . . . . . . . . . . . 1.2 t80 -61.14 -43.92 98.13 Favored 'General case' 0 CA--C 1.538 0.518 0 O-C-N 121.216 -0.928 . . . . 0.0 111.552 169.346 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 29.6 mt -67.89 -42.81 80.65 Favored 'General case' 0 CA--C 1.533 0.321 0 C-N-CA 123.681 0.792 . . . . 0.0 112.366 -175.574 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 18' ' ' VAL . . . . . . . . . . . . . 9.3 p -75.56 -28.02 19.48 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.633 0 N-CA-C 112.671 0.619 . . . . 0.0 112.671 -179.017 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 19' ' ' CYS . . . . . . . . . . . . . 71.3 m -99.0 -22.18 15.86 Favored 'General case' 0 CA--C 1.542 0.65 0 N-CA-C 115.111 1.523 . . . . 0.0 115.111 -177.74 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . 75.6 15.02 81.51 Favored Glycine 0 CA--C 1.537 1.455 0 C-N-CA 125.292 1.425 . . . . 0.0 115.112 -178.498 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 3.3 mm-40 -141.72 159.86 41.36 Favored 'General case' 0 N--CA 1.475 0.799 0 CA-C-N 118.869 1.335 . . . . 0.0 114.364 -173.497 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 22' ' ' ARG . . . . . . . . . . . . . 10.3 mmm180 -114.73 -23.91 8.97 Favored 'General case' 0 N--CA 1.472 0.628 0 C-N-CA 128.309 2.644 . . . . 0.0 112.957 173.691 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . -73.51 -28.26 65.95 Favored Glycine 0 CA--C 1.533 1.189 0 N-CA-C 116.037 1.175 . . . . 0.0 116.037 -165.352 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 24' ' ' DHI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' B' B ' 25' ' ' PHE . . . . . . . . . . . . . 46.2 m-85 -63.85 153.09 37.84 Favored 'General case' 0 CA--C 1.541 0.597 0 C-N-CA 125.743 1.617 . . . . 0.0 113.929 -172.985 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 26' ' ' TYR . . . . . . . . . . . . . 49.7 m-85 -77.58 147.1 35.85 Favored 'General case' 0 CA--C 1.535 0.386 0 N-CA-C 115.116 1.525 . . . . 0.0 115.116 -176.778 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 27' ' ' THR . . . . . . . . . . . . . 60.2 p -126.9 144.96 52.0 Favored Pre-proline 0 CA--C 1.539 0.541 0 C-N-CA 126.17 1.788 . . . . 0.0 109.296 154.092 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 28' ' ' PRO . . . . . . . . . . . . . 47.0 Cg_endo -65.86 125.7 14.69 Favored 'Trans proline' 0 CA--C 1.539 0.764 0 C-N-CA 123.095 2.53 . . . . 0.0 111.412 179.163 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 7.5 ptpp? -141.58 15.36 2.17 Favored 'General case' 0 N--CA 1.481 1.08 0 C-N-CA 125.5 1.52 . . . . 0.0 114.329 -172.518 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 30' ' ' THR . . . . . . . . . . . . . 16.6 m . . . . . 0 C--O 1.254 1.298 0 C-N-CA 126.501 1.92 . . . . 0.0 112.518 -177.097 . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.482 1.727 0 N-CA-C 111.563 -0.615 . . . . 0.0 111.563 . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 8.7 tt -70.08 -37.96 73.63 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.993 0 C-N-CA 124.034 0.933 . . . . 0.0 112.892 -179.739 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 33.8 t -68.74 136.49 26.28 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.555 0 C-N-CA 123.605 0.762 . . . . 0.0 109.825 172.487 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 42.7 mt-10 58.74 15.11 3.54 Favored 'General case' 0 CA--C 1.549 0.938 0 C-N-CA 125.786 1.634 . . . . 0.0 115.3 -166.396 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 49.3 tp60 -90.11 -73.47 0.52 Allowed 'General case' 0 N--CA 1.471 0.594 0 O-C-N 121.202 -0.936 . . . . 0.0 109.193 155.103 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 2.7 t -85.42 -10.52 56.1 Favored 'General case' 0 CA--C 1.543 0.702 0 N-CA-C 114.418 1.266 . . . . 0.0 114.418 -163.61 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 8.0 t -76.05 -13.95 60.21 Favored 'General case' 0 CA--C 1.55 0.957 0 O-C-N 121.418 -0.801 . . . . 0.0 112.674 173.304 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 13.9 t -128.2 -18.12 4.16 Favored 'General case' 0 N--CA 1.48 1.038 0 C-N-CA 125.671 1.588 . . . . 0.0 113.929 -177.227 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 94.1 p -135.76 168.12 19.88 Favored 'General case' 0 N--CA 1.473 0.68 0 C-N-CA 125.9 1.68 . . . . 0.0 111.818 177.51 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 35.4 mt -77.84 137.68 21.77 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.614 0 O-C-N 121.184 -0.947 . . . . 0.0 110.493 173.458 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 29.1 p -119.09 159.95 22.97 Favored 'General case' 0 CA--C 1.543 0.711 0 C-N-CA 124.889 1.276 . . . . 0.0 112.477 171.979 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 20.5 m -119.59 160.24 22.83 Favored 'General case' 0 N--CA 1.473 0.685 0 C-N-CA 126.055 1.742 . . . . 0.0 111.391 -176.516 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 2.3 pt? -53.67 -35.77 61.4 Favored 'General case' 0 CA--C 1.542 0.664 0 N-CA-C 113.341 0.867 . . . . 0.0 113.341 171.265 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 32.9 m-85 -61.54 -16.83 51.34 Favored 'General case' 0 N--CA 1.472 0.629 0 C-N-CA 125.663 1.585 . . . . 0.0 114.178 175.719 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 6.9 mm-40 -102.67 -49.35 3.85 Favored 'General case' 0 CA--C 1.536 0.434 0 C-N-CA 125.104 1.361 . . . . 0.0 111.653 170.205 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 88.7 mt -60.93 -32.76 72.25 Favored 'General case' 0 N--CA 1.47 0.544 0 N-CA-C 114.474 1.287 . . . . 0.0 114.474 -175.041 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 38.4 mt-10 -66.39 -23.71 66.37 Favored 'General case' 0 CA--C 1.543 0.699 0 N-CA-C 113.18 0.807 . . . . 0.0 113.18 178.513 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 23.2 m-80 -74.96 -38.53 61.68 Favored 'General case' 0 N--CA 1.473 0.698 0 O-C-N 121.269 -0.894 . . . . 0.0 111.38 175.036 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 23.2 m-85 -69.68 -9.22 53.45 Favored 'General case' 0 CA--C 1.543 0.674 0 C-N-CA 124.508 1.123 . . . . 0.0 113.567 178.975 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 32.5 t -62.72 -26.01 68.46 Favored 'General case' 0 CA--C 1.543 0.701 0 C-N-CA 124.798 1.239 . . . . 0.0 113.233 170.169 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 25.7 t-20 . . . . . 0 CA--C 1.544 0.736 0 C-N-CA 123.777 0.831 . . . . 0.0 112.201 178.814 . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' B' B ' 1' ' ' PHE . . . . . . . . . . . . . 63.0 t80 . . . . . 0 CA--C 1.541 0.606 0 N-CA-C 112.262 0.467 . . . . 0.0 112.262 . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' B' B ' 2' ' ' VAL . . . . . . . . . . . . . 17.5 m -134.23 134.63 55.05 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.837 0 C-N-CA 125.108 1.363 . . . . 0.0 110.467 169.178 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 3' ' ' ASN . . . . . . . . . . . . . 8.0 m-20 -63.17 144.07 57.24 Favored 'General case' 0 CA--C 1.534 0.339 0 N-CA-C 113.359 0.874 . . . . 0.0 113.359 -175.565 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 4' ' ' GLN . . . . . . . . . . . . . 7.3 pt20 -170.75 160.65 7.06 Favored 'General case' 0 CA--C 1.54 0.561 0 C-N-CA 126.957 2.103 . . . . 0.0 109.348 -177.487 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 5' ' ' HIS . . . . . . . . . . . . . 28.5 m-70 -69.52 142.53 53.65 Favored 'General case' 0 CA--C 1.543 0.711 0 C-N-CA 124.4 1.08 . . . . 0.0 110.304 163.176 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 56.3 mt -143.27 136.76 28.33 Favored 'General case' 0 N--CA 1.473 0.712 0 C-N-CA 125.509 1.524 . . . . 0.0 111.303 -175.727 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 7' ' ' CYS . . . . . . . . . . . . . 4.4 t -152.08 159.4 43.68 Favored 'General case' 0 CA--C 1.541 0.617 0 N-CA-C 112.849 0.685 . . . . 0.0 112.849 -178.954 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 8' ' ' GLY . . . . . . . . . . . . . . . 57.72 -136.79 50.42 Favored Glycine 0 CA--C 1.534 1.262 0 C-N-CA 124.134 0.873 . . . . 0.0 113.246 177.704 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 9' ' ' SER . . . . . . . . . . . . . 19.1 m -58.91 -34.98 72.31 Favored 'General case' 0 N--CA 1.472 0.658 0 C-N-CA 123.77 0.828 . . . . 0.0 112.796 177.691 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 10' ' ' HIS . . . . . . . . . . . . . 31.6 m170 -63.61 -35.16 79.61 Favored 'General case' 0 N--CA 1.472 0.643 0 C-N-CA 123.566 0.746 . . . . 0.0 112.405 178.515 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 42.1 tp -67.01 -43.32 83.2 Favored 'General case' 0 CA--C 1.539 0.531 0 C-N-CA 124.121 0.968 . . . . 0.0 112.0 175.279 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 58.7 t -67.87 -41.52 84.98 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.84 0 C-N-CA 124.11 0.964 . . . . 0.0 111.252 178.346 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 44.6 mt-10 -66.34 -44.47 83.19 Favored 'General case' 0 N--CA 1.467 0.419 0 O-C-N 121.455 -0.778 . . . . 0.0 111.943 174.361 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -64.29 -38.63 91.74 Favored 'General case' 0 CA--C 1.538 0.512 0 O-C-N 121.259 -0.9 . . . . 0.0 112.999 -177.639 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 3.3 pp -73.04 -34.27 66.21 Favored 'General case' 0 N--CA 1.47 0.549 0 CA-C-N 118.9 0.773 . . . . 0.0 111.734 178.485 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 16' ' ' TYR . . . . . . . . . . . . . 1.9 t80 -63.98 -44.4 92.83 Favored 'General case' 0 CA--C 1.539 0.533 0 C-N-CA 124.007 0.923 . . . . 0.0 111.129 172.0 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 50.0 mt -69.31 -43.32 73.99 Favored 'General case' 0 CA--C 1.535 0.378 0 C-N-CA 124.172 0.989 . . . . 0.0 112.734 -178.579 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 18' ' ' VAL . . . . . . . . . . . . . 3.8 p -73.86 -28.84 24.76 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.791 0 C-N-CA 122.993 0.517 . . . . 0.0 112.177 -178.544 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 19' ' ' CYS . . . . . . . . . . . . . 43.1 t -76.85 -34.44 57.84 Favored 'General case' 0 CA--C 1.54 0.592 0 C-N-CA 124.348 1.059 . . . . 0.0 112.743 171.57 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . 77.06 14.57 82.49 Favored Glycine 0 CA--C 1.539 1.537 0 C-N-CA 124.843 1.211 . . . . 0.0 114.087 -173.942 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 33.8 tt0 -150.51 148.1 28.29 Favored 'General case' 0 CA--C 1.541 0.618 0 C-N-CA 125.732 1.613 . . . . 0.0 111.001 -176.366 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 22' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -77.36 -21.03 53.9 Favored 'General case' 0 N--CA 1.48 1.053 0 N-CA-C 114.713 1.375 . . . . 0.0 114.713 -178.399 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . 60.36 19.8 53.74 Favored Glycine 0 CA--C 1.536 1.391 0 N-CA-C 117.695 1.838 . . . . 0.0 117.695 161.925 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 24' ' ' DHI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' B' B ' 25' ' ' PHE . . . . . . . . . . . . . 18.7 m-85 -101.63 159.33 15.4 Favored 'General case' 0 CA--C 1.539 0.552 0 C-N-CA 124.973 1.309 . . . . 0.0 112.874 -177.341 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 26' ' ' TYR . . . . . . . . . . . . . 77.3 m-85 -75.71 145.64 40.73 Favored 'General case' 0 CA--C 1.538 0.495 0 C-N-CA 123.891 0.877 . . . . 0.0 111.684 173.786 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 27' ' ' THR . . . . . . . . . . . . . 16.5 p -140.11 98.75 7.49 Favored Pre-proline 0 N--CA 1.474 0.773 0 C-N-CA 125.176 1.39 . . . . 0.0 110.636 -173.682 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 28' ' ' PRO . . . . . . . . . . . . . 62.8 Cg_exo -60.68 151.55 75.5 Favored 'Trans proline' 0 CA--C 1.539 0.765 0 C-N-CA 123.55 2.834 . . . . 0.0 114.023 178.965 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 59.9 mtpt -136.97 153.97 50.55 Favored 'General case' 0 N--CA 1.475 0.797 0 C-N-CA 126.338 1.855 . . . . 0.0 111.365 178.927 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 30' ' ' THR . . . . . . . . . . . . . 20.0 m . . . . . 0 C--O 1.252 1.213 0 C-N-CA 126.134 1.774 . . . . 0.0 112.153 178.243 . . . . . . . . 0 0 . 1 . 021 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.615 0 N-CA-C 112.536 -0.225 . . . . 0.0 112.536 . . . . . . . . . 0 0 . 1 . 021 nuclear orig full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 10.6 tt -64.91 -42.28 94.4 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.898 0 C-N-CA 124.905 1.282 . . . . 0.0 114.334 -174.199 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 8.3 p -66.71 -45.18 88.77 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.987 0 O-C-N 120.912 -1.117 . . . . 0.0 112.607 -170.429 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 16.9 pt-20 -73.68 1.36 10.43 Favored 'General case' 0 CA--C 1.541 0.599 0 C-N-CA 125.125 1.37 . . . . 0.0 114.29 176.004 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 92.8 mt-30 -102.66 -54.82 2.57 Favored 'General case' 0 CA--C 1.538 0.481 0 C-N-CA 125.233 1.413 . . . . 0.0 109.584 168.357 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 75.8 m -75.11 -22.48 58.2 Favored 'General case' 0 CA--C 1.542 0.649 0 N-CA-C 114.135 1.161 . . . . 0.0 114.135 -175.276 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 5.9 t -83.36 -12.71 56.25 Favored 'General case' 0 CA--C 1.548 0.891 0 O-C-N 121.322 -0.861 . . . . 0.0 112.84 178.118 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 13.8 t -114.95 -25.64 8.09 Favored 'General case' 0 N--CA 1.481 1.113 0 C-N-CA 125.19 1.396 . . . . 0.0 114.329 -179.302 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 97.2 p -136.94 159.83 40.71 Favored 'General case' 0 N--CA 1.473 0.699 0 C-N-CA 125.252 1.421 . . . . 0.0 111.705 168.239 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 45.2 mt -64.59 140.64 19.37 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.816 0 O-C-N 121.133 -0.979 . . . . 0.0 112.097 -172.575 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 64.3 m -120.26 106.38 11.85 Favored 'General case' 0 CA--C 1.534 0.335 0 C-N-CA 124.721 1.208 . . . . 0.0 110.293 169.348 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 59.8 m -71.5 164.81 25.12 Favored 'General case' 0 N--CA 1.468 0.436 0 C-N-CA 124.305 1.042 . . . . 0.0 110.81 171.079 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 2.3 pp -57.01 -33.46 67.18 Favored 'General case' 0 CA--C 1.547 0.83 0 O-C-N 121.366 -0.834 . . . . 0.0 112.316 179.097 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 43.7 m-85 -69.11 -26.58 64.98 Favored 'General case' 0 CA--C 1.541 0.632 0 C-N-CA 125.491 1.516 . . . . 0.0 113.72 175.806 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 42.0 mt-30 -79.71 -47.47 15.25 Favored 'General case' 0 N--CA 1.469 0.505 0 C-N-CA 124.278 1.031 . . . . 0.0 110.138 172.213 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 95.7 mt -56.41 -35.67 68.05 Favored 'General case' 0 N--CA 1.474 0.773 0 C-N-CA 124.222 1.009 . . . . 0.0 113.036 176.717 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 5.0 mm-40 -56.06 -37.48 69.33 Favored 'General case' 0 N--CA 1.473 0.723 0 C-N-CA 124.632 1.173 . . . . 0.0 113.659 172.124 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 95.0 m-20 -68.27 -29.9 68.8 Favored 'General case' 0 N--CA 1.47 0.542 0 O-C-N 121.356 -0.84 . . . . 0.0 112.146 -178.087 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 94.0 m-85 -74.58 -26.19 59.76 Favored 'General case' 0 CA--C 1.539 0.55 0 C-N-CA 123.958 0.903 . . . . 0.0 112.665 174.179 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 9.0 t -76.81 -34.33 57.93 Favored 'General case' 0 CA--C 1.545 0.777 0 CA-C-N 118.549 0.613 . . . . 0.0 112.242 170.614 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 N--CA 1.471 0.591 0 C-N-CA 124.902 1.281 . . . . 0.0 112.058 177.782 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' 1' ' ' PHE . . . . . . . . . . . . . 43.7 t80 . . . . . 0 CA--C 1.542 0.641 0 N-CA-C 112.091 0.404 . . . . 0.0 112.091 . . . . . . . . . 0 0 . 1 . 021 nuclear orig full ' B' B ' 2' ' ' VAL . . . . . . . . . . . . . 47.5 t -136.48 128.74 44.8 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.929 0 C-N-CA 125.339 1.455 . . . . 0.0 109.346 174.456 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' 3' ' ' ASN . . . . . . . . . . . . . 94.9 m-20 -58.01 135.35 56.94 Favored 'General case' 0 N--CA 1.47 0.525 0 C-N-CA 123.231 0.612 . . . . 0.0 112.229 178.406 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' 4' ' ' GLN . . . . . . . . . . . . . 6.4 pt20 -163.48 166.29 22.84 Favored 'General case' 0 CA--C 1.537 0.455 0 C-N-CA 125.062 1.345 . . . . 0.0 110.557 176.693 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' 5' ' ' HIS . . . . . . . . . . . . . 27.9 m-70 -76.59 80.48 3.26 Favored 'General case' 0 CA--C 1.545 0.753 0 C-N-CA 125.358 1.463 . . . . 0.0 110.686 168.728 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 2.7 mm? -60.98 135.32 57.75 Favored 'General case' 0 N--CA 1.474 0.743 0 O-C-N 121.367 -0.833 . . . . 0.0 111.923 -179.996 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' 7' ' ' CYS . . . . . . . . . . . . . 7.0 t -150.92 158.14 43.77 Favored 'General case' 0 CA--C 1.541 0.622 0 C-N-CA 123.163 0.585 . . . . 0.0 112.331 -176.591 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' 8' ' ' GLY . . . . . . . . . . . . . . . 56.46 -135.33 50.49 Favored Glycine 0 CA--C 1.535 1.321 0 C-N-CA 124.034 0.826 . . . . 0.0 113.735 176.418 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' 9' ' ' SER . . . . . . . . . . . . . 36.2 p -64.62 -31.72 73.06 Favored 'General case' 0 N--CA 1.471 0.613 0 C-N-CA 123.991 0.916 . . . . 0.0 113.351 176.379 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' 10' ' ' HIS . . . . . . . . . . . . . 32.0 m170 -63.51 -35.12 79.43 Favored 'General case' 0 N--CA 1.472 0.668 0 CA-C-N 118.937 0.79 . . . . 0.0 112.298 177.966 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 63.9 tp -65.35 -44.89 86.28 Favored 'General case' 0 N--CA 1.467 0.384 0 C-N-CA 124.309 1.044 . . . . 0.0 112.166 174.348 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 72.5 t -64.62 -42.66 95.74 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.584 0 C-N-CA 123.849 0.86 . . . . 0.0 110.767 177.579 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 47.4 mt-10 -65.02 -44.59 88.64 Favored 'General case' 0 N--CA 1.468 0.448 0 O-C-N 121.721 -0.612 . . . . 0.0 112.224 175.608 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -63.58 -38.28 90.54 Favored 'General case' 0 CA--C 1.542 0.665 0 O-C-N 121.277 -0.889 . . . . 0.0 112.929 -177.326 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 3.6 pp -78.23 -29.99 48.54 Favored 'General case' 0 CA--C 1.541 0.615 0 O-C-N 121.721 -0.612 . . . . 0.0 112.602 177.202 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' 16' ' ' TYR . . . . . . . . . . . . . 1.0 OUTLIER -64.51 -41.37 96.46 Favored 'General case' 0 N--CA 1.468 0.47 0 C-N-CA 123.72 0.808 . . . . 0.0 111.326 170.148 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 45.6 mt -68.91 -48.63 62.83 Favored 'General case' 0 CA--C 1.534 0.329 0 C-N-CA 123.726 0.81 . . . . 0.0 111.873 -178.337 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' 18' ' ' VAL . . . . . . . . . . . . . 5.9 p -67.05 -34.85 72.44 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.767 0 N-CA-C 111.986 0.365 . . . . 0.0 111.986 -177.501 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' 19' ' ' CYS . . . . . . . . . . . . . 6.9 t -88.74 -36.87 15.9 Favored 'General case' 0 CA--C 1.541 0.606 0 N-CA-C 112.838 0.681 . . . . 0.0 112.838 -175.779 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . -64.73 -36.22 92.86 Favored Glycine 0 CA--C 1.533 1.218 0 O-C-N 120.98 -1.075 . . . . 0.0 113.517 178.628 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 37.9 tt0 -67.24 -15.14 63.52 Favored 'General case' 0 CA--C 1.544 0.743 0 C-N-CA 125.386 1.475 . . . . 0.0 114.114 -179.207 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' 22' ' ' ARG . . . . . . . . . . . . . 16.4 ptm180 -109.82 -25.75 10.17 Favored 'General case' 0 N--CA 1.475 0.812 0 C-N-CA 125.55 1.54 . . . . 0.0 113.509 169.849 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . -76.87 -29.31 57.5 Favored Glycine 0 CA--C 1.534 1.222 0 C-N-CA 124.898 1.237 . . . . 0.0 115.47 -175.097 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' 24' ' ' DHI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 021 nuclear orig full ' B' B ' 25' ' ' PHE . . . . . . . . . . . . . 95.5 m-85 -119.99 132.38 55.47 Favored 'General case' 0 CA--C 1.536 0.43 0 C-N-CA 124.436 1.094 . . . . 0.0 112.294 -173.705 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' 26' ' ' TYR . . . . . . . . . . . . . 80.9 m-85 -90.96 161.76 15.03 Favored 'General case' 0 N--CA 1.469 0.502 0 C-N-CA 124.917 1.287 . . . . 0.0 111.741 174.549 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' 27' ' ' THR . . . . . . . . . . . . . 21.4 p -102.51 100.27 15.5 Favored Pre-proline 0 N--CA 1.474 0.743 0 C-N-CA 125.016 1.326 . . . . 0.0 111.245 178.765 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' 28' ' ' PRO . . . . . . . . . . . . . 79.8 Cg_endo -71.39 159.21 52.24 Favored 'Trans proline' 0 CA--C 1.541 0.829 0 C-N-CA 123.11 2.54 . . . . 0.0 112.692 178.564 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 14.5 pttp -146.69 176.32 9.94 Favored 'General case' 0 N--CA 1.474 0.734 0 C-N-CA 125.984 1.714 . . . . 0.0 112.01 178.013 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' 30' ' ' THR . . . . . . . . . . . . . 24.3 m . . . . . 0 C--O 1.254 1.327 0 C-N-CA 125.976 1.711 . . . . 0.0 111.857 169.795 . . . . . . . . 0 0 . 1 . 022 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.477 1.411 0 CA-C-O 118.586 -1.119 . . . . 0.0 111.06 . . . . . . . . . 0 0 . 1 . 022 nuclear orig full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . 0.256 18.2 tt 45.73 -57.39 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.477 0.917 1 C-N-CA 134.312 5.045 . . . . 0.0 117.296 178.018 . . . . . . . . 3 2 . 1 . 022 nuclear orig full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 35.2 t -69.87 138.81 21.34 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.744 0 C-N-CA 125.713 1.605 . . . . 0.0 109.509 169.049 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 43.1 mt-10 54.56 21.85 3.62 Favored 'General case' 0 CA--C 1.549 0.93 0 N-CA-C 114.687 1.365 . . . . 0.0 114.687 -166.028 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 40.2 mt-30 -110.34 -64.38 1.27 Allowed 'General case' 0 N--CA 1.47 0.561 0 C-N-CA 124.619 1.167 . . . . 0.0 109.02 157.987 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -69.71 -18.1 63.51 Favored 'General case' 0 CA--C 1.548 0.891 0 N-CA-C 113.159 0.8 . . . . 0.0 113.159 -177.981 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 28.9 t -90.25 -7.2 54.07 Favored 'General case' 0 CA--C 1.549 0.931 0 C-N-CA 125.117 1.367 . . . . 0.0 113.367 178.61 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 5.7 t -124.06 -24.76 4.32 Favored 'General case' 0 N--CA 1.483 1.197 0 N-CA-C 114.146 1.165 . . . . 0.0 114.146 -179.821 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 92.4 p -126.85 155.41 42.98 Favored 'General case' 0 N--CA 1.47 0.564 0 C-N-CA 125.22 1.408 . . . . 0.0 111.133 165.771 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 15.1 mt -62.09 136.23 25.67 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.693 0 C-N-CA 123.881 0.873 . . . . 0.0 112.428 -170.443 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 58.8 m -80.42 146.47 31.44 Favored 'General case' 0 CA--C 1.537 0.452 0 C-N-CA 124.869 1.268 . . . . 0.0 111.648 173.67 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 55.0 m -130.81 157.64 42.3 Favored 'General case' 0 N--CA 1.47 0.535 0 C-N-CA 125.402 1.481 . . . . 0.0 109.77 171.628 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . 0.463 ' H ' HD11 ' A' ' 13' ' ' LEU . 4.7 mp -51.3 -45.35 62.14 Favored 'General case' 0 N--CA 1.47 0.533 0 C-N-CA 124.469 1.108 . . . . 0.0 111.244 179.548 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 24.8 m-85 -62.09 -37.67 85.96 Favored 'General case' 0 CA--C 1.54 0.563 0 C-N-CA 125.367 1.467 . . . . 0.0 112.94 -179.649 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 10.1 mm-40 -72.38 -42.47 65.18 Favored 'General case' 0 N--CA 1.469 0.491 0 C-N-CA 123.574 0.749 . . . . 0.0 110.733 176.714 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 69.0 mt -65.63 -36.59 84.14 Favored 'General case' 0 CA--C 1.544 0.748 0 C-N-CA 123.986 0.914 . . . . 0.0 112.086 177.236 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 39.0 mt-10 -66.75 -38.18 86.12 Favored 'General case' 0 CA--C 1.542 0.64 0 O-C-N 121.219 -0.925 . . . . 0.0 112.213 170.46 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 81.5 m-20 -63.96 -33.31 75.44 Favored 'General case' 0 CA--C 1.541 0.619 0 O-C-N 121.321 -0.862 . . . . 0.0 112.394 174.296 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 25.4 m-85 -71.13 -32.65 69.26 Favored 'General case' 0 CA--C 1.54 0.581 0 N-CA-C 112.928 0.714 . . . . 0.0 112.928 172.203 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 35.5 t -70.81 -37.45 73.26 Favored 'General case' 0 CA--C 1.546 0.8 0 C-N-CA 123.353 0.661 . . . . 0.0 112.511 174.546 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 25.5 t-20 . . . . . 0 CA--C 1.545 0.755 0 C-N-CA 124.944 1.298 . . . . 0.0 112.713 -178.826 . . . . . . . . 0 0 . 1 . 022 nuclear orig full ' B' B ' 1' ' ' PHE . . . . . . . . . . . . . 44.9 t80 . . . . . 0 CA--C 1.539 0.52 0 N-CA-C 112.127 0.417 . . . . 0.0 112.127 . . . . . . . . . 0 0 . 1 . 022 nuclear orig full ' B' B ' 2' ' ' VAL . . . . . . . . . . . . . 25.2 m -136.19 141.44 41.48 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.774 0 C-N-CA 125.04 1.336 . . . . 0.0 110.115 166.117 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' B' B ' 3' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -51.85 129.67 27.22 Favored 'General case' 0 CA--C 1.538 0.489 0 C-N-CA 123.908 0.883 . . . . 0.0 113.255 178.112 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' B' B ' 4' ' ' GLN . . . . . . . . . . . . . 7.5 pt20 -165.27 153.12 11.23 Favored 'General case' 0 CA--C 1.533 0.321 0 C-N-CA 125.465 1.506 . . . . 0.0 110.285 177.591 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' B' B ' 5' ' ' HIS . . . . . . . . . . . . . 24.7 m-70 -70.06 145.0 51.99 Favored 'General case' 0 CA--C 1.542 0.657 0 C-N-CA 123.999 0.919 . . . . 0.0 110.259 161.93 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 73.6 mt -136.58 139.35 42.08 Favored 'General case' 0 N--CA 1.471 0.607 0 C-N-CA 125.01 1.324 . . . . 0.0 111.545 179.571 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' B' B ' 7' ' ' CYS . . . . . . . . . . . . . 72.0 m -134.93 143.85 47.13 Favored 'General case' 0 CA--C 1.539 0.533 0 C-N-CA 124.734 1.213 . . . . 0.0 111.291 -171.171 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' B' B ' 8' ' ' GLY . . . . . . . . . . . . . . . 52.44 -129.91 37.51 Favored Glycine 0 CA--C 1.534 1.25 0 C-N-CA 123.879 0.752 . . . . 0.0 113.676 174.922 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' B' B ' 9' ' ' SER . . . . . . . . . . . . . 23.3 m -57.32 -34.28 68.58 Favored 'General case' 0 N--CA 1.472 0.648 0 C-N-CA 124.262 1.025 . . . . 0.0 113.647 -179.969 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' B' B ' 10' ' ' HIS . . . . . . . . . . . . . 30.5 m170 -65.15 -32.81 74.69 Favored 'General case' 0 N--CA 1.475 0.781 0 CA-C-N 119.1 0.864 . . . . 0.0 112.456 178.818 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 1.3 tt -67.34 -47.68 69.76 Favored 'General case' 0 CA--C 1.542 0.656 0 C-N-CA 125.13 1.372 . . . . 0.0 110.429 174.85 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 61.5 t -65.1 -40.54 89.22 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.886 0 C-N-CA 124.706 1.203 . . . . 0.0 111.777 178.745 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 43.8 mt-10 -65.26 -42.21 93.49 Favored 'General case' 0 N--CA 1.469 0.499 0 O-C-N 121.328 -0.858 . . . . 0.0 111.955 175.409 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -66.38 -38.14 86.87 Favored 'General case' 0 CA--C 1.539 0.556 0 O-C-N 121.306 -0.871 . . . . 0.0 112.951 -178.469 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 3.7 pp -74.39 -34.38 63.29 Favored 'General case' 0 N--CA 1.468 0.449 0 CA-C-N 118.395 0.543 . . . . 0.0 111.558 177.907 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' B' B ' 16' ' ' TYR . . . . . . . . . . . . . 2.9 t80 -62.03 -41.48 98.15 Favored 'General case' 0 CA--C 1.541 0.604 0 C-N-CA 123.703 0.801 . . . . 0.0 111.489 171.215 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 40.4 mt -69.56 -46.57 66.08 Favored 'General case' 0 CA--C 1.535 0.386 0 C-N-CA 123.649 0.78 . . . . 0.0 112.397 -178.768 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' B' B ' 18' ' ' VAL . . . . . . . . . . . . . 5.8 p -73.5 -30.55 30.18 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.817 0 N-CA-C 112.449 0.537 . . . . 0.0 112.449 -177.373 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' B' B ' 19' ' ' CYS . . . . . . . . . . . . . 11.2 t -85.34 -31.87 22.77 Favored 'General case' 0 CA--C 1.543 0.703 0 C-N-CA 123.92 0.888 . . . . 0.0 112.853 179.788 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . -78.72 -1.02 82.71 Favored Glycine 0 CA--C 1.539 1.547 0 C-N-CA 125.399 1.476 . . . . 0.0 115.518 179.514 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 40.2 tt0 -64.68 123.02 18.22 Favored 'General case' 0 CA--C 1.544 0.74 0 CA-C-N 119.041 1.42 . . . . 0.0 111.539 177.937 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' B' B ' 22' ' ' ARG . . . . . . . . . . . . . 99.3 mtt180 -78.13 -28.87 48.54 Favored 'General case' 0 N--CA 1.48 1.069 0 C-N-CA 124.314 1.046 . . . . 0.0 113.397 -177.611 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . 168.82 -23.39 0.1 Allowed Glycine 0 CA--C 1.534 1.219 0 C-N-CA 125.335 1.445 . . . . 0.0 114.513 177.517 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' B' B ' 24' ' ' DHI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 022 nuclear orig full ' B' B ' 25' ' ' PHE . . . . . . . . . . . . . 42.8 m-85 -71.02 162.32 29.63 Favored 'General case' 0 CA--C 1.544 0.719 0 C-N-CA 125.696 1.598 . . . . 0.0 113.494 -172.213 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' B' B ' 26' ' ' TYR . . . . . . . . . . . . . 56.3 m-85 -66.98 153.69 42.99 Favored 'General case' 0 CA--C 1.543 0.694 0 C-N-CA 124.518 1.127 . . . . 0.0 113.047 -178.391 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' B' B ' 27' ' ' THR . . . . . . . . . . . . . 39.8 p -77.05 -24.64 0.47 Allowed Pre-proline 0 N--CA 1.477 0.896 0 N-CA-C 117.816 2.524 . . . . 0.0 117.816 -175.426 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' B' B ' 28' ' ' PRO . . . . . . . . . . . . . 76.2 Cg_exo -59.89 142.88 99.42 Favored 'Trans proline' 0 C--N 1.356 0.94 0 C-N-CA 122.736 2.291 . . . . 0.0 113.919 179.957 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 8.9 ptpp? -155.79 155.6 33.31 Favored 'General case' 0 N--CA 1.471 0.607 0 C-N-CA 126.369 1.867 . . . . 0.0 110.658 -176.297 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' B' B ' 30' ' ' THR . . . . . . . . . . . . . 22.2 p . . . . . 0 C--O 1.253 1.262 0 C-N-CA 129.017 2.927 . . . . 0.0 112.773 -4.045 . . . . . . . . 0 0 . 1 . 023 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.482 1.701 0 N-CA-C 112.593 -0.203 . . . . 0.0 112.593 . . . . . . . . . 0 0 . 1 . 023 nuclear orig full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 10.4 tt -51.46 -48.07 35.16 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.036 0 C-N-CA 125.667 1.587 . . . . 0.0 114.167 -175.435 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 9.3 p -63.29 -48.91 85.21 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.729 0 C-N-CA 122.982 0.513 . . . . 0.0 111.93 -169.292 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 16.9 pt-20 -68.95 -44.0 73.89 Favored 'General case' 0 CA--C 1.532 0.282 0 CA-C-O 118.708 -0.663 . . . . 0.0 110.387 174.283 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 16.1 tp60 -60.43 -42.18 95.52 Favored 'General case' 0 N--CA 1.467 0.38 0 CA-C-N 119.083 0.856 . . . . 0.0 112.748 -173.096 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 61.4 m -89.96 -25.99 20.61 Favored 'General case' 0 CA--C 1.543 0.681 0 N-CA-C 113.511 0.93 . . . . 0.0 113.511 -177.95 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 84.9 m -72.45 -26.46 61.84 Favored 'General case' 0 CA--C 1.549 0.916 0 O-C-N 121.0 -1.063 . . . . 0.0 112.654 169.242 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 1.4 t -98.47 -26.69 14.36 Favored 'General case' 0 N--CA 1.482 1.137 0 N-CA-C 114.565 1.32 . . . . 0.0 114.565 -177.367 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 52.7 m -140.25 163.93 31.43 Favored 'General case' 0 N--CA 1.477 0.876 0 C-N-CA 125.597 1.559 . . . . 0.0 112.002 179.547 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 46.0 mt -63.62 137.66 24.32 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.633 0 O-C-N 121.245 -0.91 . . . . 0.0 110.594 173.581 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 17.5 m -115.55 160.76 19.55 Favored 'General case' 0 CA--C 1.54 0.574 0 C-N-CA 124.933 1.293 . . . . 0.0 112.339 174.585 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 63.6 m -121.45 156.54 32.52 Favored 'General case' 0 N--CA 1.472 0.647 0 C-N-CA 125.731 1.612 . . . . 0.0 111.153 175.651 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 2.6 pt? -58.1 -30.7 66.47 Favored 'General case' 0 CA--C 1.54 0.594 0 N-CA-C 113.738 1.014 . . . . 0.0 113.738 -177.465 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 24.9 m-85 -65.02 -32.74 74.61 Favored 'General case' 0 CA--C 1.539 0.558 0 C-N-CA 124.597 1.159 . . . . 0.0 112.69 176.212 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 42.7 mt-30 -71.37 -42.63 68.19 Favored 'General case' 0 N--CA 1.469 0.476 0 C-N-CA 123.338 0.655 . . . . 0.0 110.122 173.375 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 64.9 mt -60.92 -37.34 81.94 Favored 'General case' 0 CA--C 1.541 0.634 0 C-N-CA 123.268 0.627 . . . . 0.0 112.67 176.594 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 45.6 mt-10 -65.34 -39.12 91.97 Favored 'General case' 0 N--CA 1.472 0.638 0 C-N-CA 123.438 0.695 . . . . 0.0 112.73 169.934 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 91.9 m-20 -67.7 -30.34 69.82 Favored 'General case' 0 CA--C 1.542 0.653 0 O-C-N 121.235 -0.916 . . . . 0.0 112.674 176.156 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 27.3 m-85 -75.05 -33.8 61.76 Favored 'General case' 0 N--CA 1.469 0.494 0 CA-C-N 118.996 0.816 . . . . 0.0 112.541 175.894 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 7.3 p -81.41 -40.43 23.43 Favored 'General case' 0 CA--C 1.543 0.684 0 N-CA-C 112.872 0.693 . . . . 0.0 112.872 178.007 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 19.2 p30 . . . . . 0 N--CA 1.473 0.695 0 C-N-CA 128.315 2.646 . . . . 0.0 114.883 176.577 . . . . . . . . 0 0 . 1 . 023 nuclear orig full ' B' B ' 1' ' ' PHE . . . . . . . . . . . . . 38.8 t80 . . . . . 0 CA--C 1.542 0.647 0 N-CA-C 111.885 0.328 . . . . 0.0 111.885 . . . . . . . . . 0 0 . 1 . 023 nuclear orig full ' B' B ' 2' ' ' VAL . . . . . . . . . . . . . 2.9 m -138.92 86.61 0.51 Allowed 'Isoleucine or valine' 0 N--CA 1.476 0.862 0 C-N-CA 124.86 1.264 . . . . 0.0 112.204 177.644 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' B' B ' 3' ' ' ASN . . . . . . . . . . . . . 28.1 m120 47.75 -132.78 1.33 Allowed 'General case' 0 CA--C 1.551 1.001 0 C-N-CA 125.954 1.702 . . . . 0.0 115.03 163.437 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' B' B ' 4' ' ' GLN . . . . . . . . . . . . 0.282 7.1 pt20 59.55 162.31 0.04 OUTLIER 'General case' 0 CA--C 1.545 0.766 1 C-N-CA 133.826 4.85 . . . . 0.0 117.938 177.212 . . . . . . . . 3 2 . 1 . 023 nuclear orig full ' B' B ' 5' ' ' HIS . . . . . . . . . . . . . 52.6 m-70 -77.33 72.19 3.86 Favored 'General case' 0 CA--C 1.54 0.592 0 C-N-CA 126.606 1.962 . . . . 0.0 111.001 175.721 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 61.8 mt -61.81 125.32 23.41 Favored 'General case' 0 N--CA 1.469 0.495 0 C-N-CA 123.715 0.806 . . . . 0.0 111.462 -178.123 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' B' B ' 7' ' ' CYS . . . . . . . . . . . . . 11.0 t -145.68 156.0 43.35 Favored 'General case' 0 CA--C 1.54 0.588 0 C-N-CA 123.289 0.636 . . . . 0.0 112.314 -174.239 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' B' B ' 8' ' ' GLY . . . . . . . . . . . . . . . 58.4 -134.66 52.35 Favored Glycine 0 CA--C 1.535 1.291 0 C-N-CA 124.026 0.822 . . . . 0.0 113.306 177.881 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' B' B ' 9' ' ' SER . . . . . . . . . . . . . 36.0 p -59.35 -33.27 70.95 Favored 'General case' 0 N--CA 1.472 0.656 0 C-N-CA 124.132 0.973 . . . . 0.0 113.517 178.146 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' B' B ' 10' ' ' HIS . . . . . . . . . . . . . 27.7 m-70 -67.35 -35.36 79.21 Favored 'General case' 0 N--CA 1.472 0.649 0 CA-C-N 118.789 0.722 . . . . 0.0 112.092 178.674 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 39.2 tp -67.33 -41.73 84.75 Favored 'General case' 0 CA--C 1.539 0.546 0 C-N-CA 124.088 0.955 . . . . 0.0 111.913 174.89 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 76.5 t -66.68 -43.26 90.31 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.763 0 C-N-CA 123.908 0.883 . . . . 0.0 111.225 176.288 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 37.6 mt-10 -66.85 -40.9 88.06 Favored 'General case' 0 N--CA 1.47 0.557 0 O-C-N 121.412 -0.805 . . . . 0.0 112.311 176.739 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -64.6 -38.0 89.49 Favored 'General case' 0 CA--C 1.541 0.61 0 CA-C-N 119.135 0.879 . . . . 0.0 113.052 -178.592 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 2.4 pp -77.15 -35.12 56.33 Favored 'General case' 0 N--CA 1.469 0.513 0 O-C-N 121.74 -0.6 . . . . 0.0 111.201 178.171 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' B' B ' 16' ' ' TYR . . . . . . . . . . . . . 3.7 t80 -61.2 -39.84 91.73 Favored 'General case' 0 CA--C 1.54 0.596 0 C-N-CA 123.672 0.789 . . . . 0.0 111.532 172.067 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 31.3 mt -69.59 -45.61 68.21 Favored 'General case' 0 N--CA 1.465 0.299 0 C-N-CA 123.663 0.785 . . . . 0.0 112.232 -178.454 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' B' B ' 18' ' ' VAL . . . . . . . . . . . . . 9.5 p -75.27 -34.43 30.85 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.723 0 N-CA-C 112.359 0.503 . . . . 0.0 112.359 -178.145 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' B' B ' 19' ' ' CYS . . . . . . . . . . . . . 8.9 t -92.22 -34.34 14.32 Favored 'General case' 0 CA--C 1.542 0.643 0 N-CA-C 112.95 0.722 . . . . 0.0 112.95 -173.892 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . -94.82 21.71 42.02 Favored Glycine 0 CA--C 1.535 1.333 0 C-N-CA 126.223 1.868 . . . . 0.0 114.371 175.74 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -65.69 139.64 58.4 Favored 'General case' 0 CA--C 1.545 0.757 0 CA-C-N 118.798 1.299 . . . . 0.0 111.423 -179.657 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' B' B ' 22' ' ' ARG . . . . . . . . . . . . . 4.8 ptp180 -137.51 -13.43 1.52 Allowed 'General case' 0 N--CA 1.473 0.698 0 C-N-CA 126.38 1.872 . . . . 0.0 114.872 -169.65 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . 67.73 179.89 15.97 Favored Glycine 0 CA--C 1.538 1.49 0 C-N-CA 125.056 1.312 . . . . 0.0 114.446 -175.616 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' B' B ' 24' ' ' DHI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 023 nuclear orig full ' B' B ' 25' ' ' PHE . . . . . . . . . . . . . 62.2 m-85 -72.92 148.17 44.59 Favored 'General case' 0 CA--C 1.541 0.611 0 C-N-CA 125.226 1.41 . . . . 0.0 113.638 -169.509 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' B' B ' 26' ' ' TYR . . . . . . . . . . . . . 65.4 m-85 -98.86 162.35 13.14 Favored 'General case' 0 CA--C 1.542 0.661 0 C-N-CA 125.313 1.445 . . . . 0.0 112.133 177.616 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' B' B ' 27' ' ' THR . . . . . . . . . . . . . 7.2 t -70.83 -29.56 1.51 Allowed Pre-proline 0 N--CA 1.479 1.007 0 N-CA-C 116.773 2.138 . . . . 0.0 116.773 -177.798 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' B' B ' 28' ' ' PRO . . . . . . . . . . . . . 44.6 Cg_exo -65.0 150.2 88.4 Favored 'Trans proline' 0 C--N 1.357 0.975 0 C-N-CA 122.674 2.25 . . . . 0.0 113.874 179.107 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 41.0 ttmt -145.45 -46.05 0.22 Allowed 'General case' 0 N--CA 1.479 1.001 0 C-N-CA 124.996 1.318 . . . . 0.0 112.904 178.059 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' B' B ' 30' ' ' THR . . . . . . . . . . . . . 18.9 p . . . . . 0 C--O 1.252 1.2 0 C-N-CA 125.883 1.673 . . . . 0.0 113.221 177.115 . . . . . . . . 0 0 . 1 . 024 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.649 0 N-CA-C 110.447 -1.061 . . . . 0.0 110.447 . . . . . . . . . 0 0 . 1 . 024 nuclear orig full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 17.5 tt -64.45 -47.17 90.47 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.948 0 C-N-CA 124.042 0.937 . . . . 0.0 111.343 170.85 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 38.0 t -72.57 140.88 17.24 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.503 0 C-N-CA 124.018 0.927 . . . . 0.0 109.152 161.661 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . 0.258 10.1 mm-40 59.1 16.88 5.09 Favored 'General case' 0 CA--C 1.548 0.884 0 C-N-CA 126.077 1.751 . . . . 0.0 115.62 -164.4 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 8.6 tp-100 -102.56 -69.74 0.78 Allowed 'General case' 0 N--CA 1.468 0.469 0 N-CA-C 108.878 -0.786 . . . . 0.0 108.878 145.354 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 95.2 m -69.42 -27.87 65.65 Favored 'General case' 0 CA--C 1.542 0.646 0 N-CA-C 113.696 0.998 . . . . 0.0 113.696 -172.05 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 10.1 t -79.16 -16.05 57.19 Favored 'General case' 0 CA--C 1.549 0.909 0 N-CA-C 113.378 0.881 . . . . 0.0 113.378 -176.266 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 13.2 t -121.29 -25.75 5.17 Favored 'General case' 0 N--CA 1.479 1.024 0 C-N-CA 125.258 1.423 . . . . 0.0 113.504 -176.128 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 74.9 m -133.69 159.38 40.72 Favored 'General case' 0 N--CA 1.469 0.517 0 C-N-CA 126.262 1.825 . . . . 0.0 111.077 177.39 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 50.3 mt -63.6 137.07 25.35 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.567 0 O-C-N 121.605 -0.684 . . . . 0.0 109.992 172.941 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 17.2 p -129.54 166.8 18.96 Favored 'General case' 0 CA--C 1.543 0.698 0 C-N-CA 124.501 1.12 . . . . 0.0 111.763 174.47 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 70.7 m -119.41 156.89 29.29 Favored 'General case' 0 N--CA 1.473 0.722 0 C-N-CA 125.175 1.39 . . . . 0.0 112.314 -173.698 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 2.6 pt? -57.55 -30.97 65.66 Favored 'General case' 0 CA--C 1.54 0.581 0 C-N-CA 124.309 1.044 . . . . 0.0 113.495 179.789 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 23.9 m-85 -65.67 -34.5 78.36 Favored 'General case' 0 CA--C 1.538 0.515 0 C-N-CA 124.419 1.088 . . . . 0.0 112.417 175.432 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 44.7 mt-30 -72.59 -39.78 67.09 Favored 'General case' 0 N--CA 1.467 0.382 0 O-C-N 121.357 -0.839 . . . . 0.0 110.327 174.506 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 79.0 mt -58.39 -41.15 84.24 Favored 'General case' 0 CA--C 1.543 0.68 0 C-N-CA 122.91 0.484 . . . . 0.0 112.178 173.026 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 45.1 mt-10 -62.97 -35.5 80.36 Favored 'General case' 0 N--CA 1.474 0.766 0 N-CA-C 113.214 0.82 . . . . 0.0 113.214 171.723 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 12.6 m-80 -66.63 -30.98 71.38 Favored 'General case' 0 CA--C 1.542 0.656 0 O-C-N 121.254 -0.904 . . . . 0.0 112.528 174.291 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 30.9 m-85 -75.79 -30.66 59.15 Favored 'General case' 0 CA--C 1.543 0.675 0 CA-C-N 119.085 0.857 . . . . 0.0 112.73 172.691 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 71.3 m -70.25 -33.27 71.42 Favored 'General case' 0 CA--C 1.544 0.733 0 C-N-CA 123.692 0.797 . . . . 0.0 112.877 172.219 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 25.3 t-20 . . . . . 0 CA--C 1.544 0.735 0 C-N-CA 124.727 1.211 . . . . 0.0 112.619 -179.121 . . . . . . . . 0 0 . 1 . 024 nuclear orig full ' B' B ' 1' ' ' PHE . . . . . . . . . . . . . 43.9 t80 . . . . . 0 CA--C 1.54 0.575 0 N-CA-C 112.083 0.401 . . . . 0.0 112.083 . . . . . . . . . 0 0 . 1 . 024 nuclear orig full ' B' B ' 2' ' ' VAL . . . . . . . . . . . . . 20.3 m -135.61 139.26 46.76 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.698 0 C-N-CA 125.15 1.38 . . . . 0.0 109.607 164.266 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' B' B ' 3' ' ' ASN . . . . . . . . . . . . . 20.9 m120 -59.16 140.43 55.91 Favored 'General case' 0 N--CA 1.466 0.373 0 CA-C-O 121.802 0.811 . . . . 0.0 112.777 -179.617 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' B' B ' 4' ' ' GLN . . . . . . . . . . . . . 7.0 pt20 -169.37 162.63 10.41 Favored 'General case' 0 CA--C 1.538 0.49 0 C-N-CA 127.088 2.155 . . . . 0.0 108.563 -179.669 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' B' B ' 5' ' ' HIS . . . . . . . . . . . . . 26.6 m-70 -67.81 139.11 56.58 Favored 'General case' 0 CA--C 1.54 0.592 0 C-N-CA 123.841 0.856 . . . . 0.0 109.587 161.631 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 65.4 mt -136.31 131.34 34.22 Favored 'General case' 0 N--CA 1.472 0.629 0 C-N-CA 125.029 1.332 . . . . 0.0 110.735 -176.053 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' B' B ' 7' ' ' CYS . . . . . . . . . . . . . 3.8 t -151.84 156.61 40.53 Favored 'General case' 0 CA--C 1.538 0.494 0 N-CA-C 112.563 0.579 . . . . 0.0 112.563 -179.158 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' B' B ' 8' ' ' GLY . . . . . . . . . . . . . . . 56.96 -136.26 50.58 Favored Glycine 0 CA--C 1.534 1.234 0 C-N-CA 123.813 0.721 . . . . 0.0 112.855 -178.99 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' B' B ' 9' ' ' SER . . . . . . . . . . . . . 40.0 p -59.23 -31.73 69.32 Favored 'General case' 0 N--CA 1.471 0.59 0 N-CA-C 113.717 1.006 . . . . 0.0 113.717 178.575 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' B' B ' 10' ' ' HIS . . . . . . . . . . . . . 30.6 m170 -65.53 -36.38 83.64 Favored 'General case' 0 N--CA 1.473 0.693 0 CA-C-N 119.36 0.982 . . . . 0.0 112.232 176.649 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -65.06 -46.5 80.93 Favored 'General case' 0 CA--C 1.539 0.545 0 C-N-CA 123.998 0.919 . . . . 0.0 110.961 174.201 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 82.6 t -61.5 -45.23 99.08 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.718 0 C-N-CA 124.243 1.017 . . . . 0.0 111.293 177.774 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 45.5 mt-10 -63.15 -42.41 99.43 Favored 'General case' 0 N--CA 1.472 0.648 0 CA-C-N 118.959 0.8 . . . . 0.0 112.182 176.381 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -64.61 -36.46 84.3 Favored 'General case' 0 CA--C 1.541 0.624 0 N-CA-C 113.146 0.795 . . . . 0.0 113.146 -179.02 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 3.2 pp -82.09 -34.98 29.09 Favored 'General case' 0 CA--C 1.536 0.44 0 O-C-N 121.762 -0.586 . . . . 0.0 111.111 178.049 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' B' B ' 16' ' ' TYR . . . . . . . . . . . . . 10.0 t80 -58.1 -38.29 76.17 Favored 'General case' 0 CA--C 1.539 0.552 0 C-N-CA 123.876 0.87 . . . . 0.0 111.736 171.125 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 32.1 mt -69.44 -46.67 66.2 Favored 'General case' 0 CA--C 1.534 0.345 0 C-N-CA 123.718 0.807 . . . . 0.0 112.502 178.742 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' B' B ' 18' ' ' VAL . . . . . . . . . . . . . 6.4 p -76.39 -29.34 18.73 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.773 0 N-CA-C 112.75 0.648 . . . . 0.0 112.75 -176.781 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' B' B ' 19' ' ' CYS . . . . . . . . . . . . . 84.5 m -99.89 -25.86 14.2 Favored 'General case' 0 CA--C 1.543 0.706 0 N-CA-C 114.215 1.191 . . . . 0.0 114.215 -175.228 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . 78.99 -15.87 9.68 Favored Glycine 0 CA--C 1.539 1.534 0 C-N-CA 125.897 1.713 . . . . 0.0 115.873 -179.414 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' B' B ' 21' ' ' GLU . . . . . 0.475 ' HG2' ' H ' ' B' ' 22' ' ' ARG . 5.3 tt0 56.68 -178.18 0.05 OUTLIER 'General case' 0 CA--C 1.556 1.201 0 C-N-CA 126.686 1.994 . . . . 0.0 114.172 -174.493 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' B' B ' 22' ' ' ARG . . . . . 0.475 ' H ' ' HG2' ' B' ' 21' ' ' GLU . 40.7 ptt180 -77.61 -17.51 57.73 Favored 'General case' 0 N--CA 1.481 1.123 0 C-N-CA 125.102 1.361 . . . . 0.0 114.582 179.544 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . -173.07 178.66 44.95 Favored Glycine 0 CA--C 1.534 1.227 0 C-N-CA 126.159 1.838 . . . . 0.0 112.173 -177.878 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' B' B ' 24' ' ' DHI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 024 nuclear orig full ' B' B ' 25' ' ' PHE . . . . . . . . . . . . . 50.5 m-85 -58.29 159.47 6.06 Favored 'General case' 0 CA--C 1.543 0.699 0 C-N-CA 125.696 1.598 . . . . 0.0 114.268 -170.025 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' B' B ' 26' ' ' TYR . . . . . . . . . . . . . 23.4 m-85 -33.84 112.73 0.14 Allowed 'General case' 0 CA--C 1.542 0.659 0 C-N-CA 127.582 2.353 . . . . 0.0 115.915 -160.792 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' B' B ' 27' ' ' THR . . . . . . . . . . . . . 71.5 p -83.75 -20.77 0.28 Allowed Pre-proline 0 N--CA 1.475 0.821 0 N-CA-C 116.844 2.164 . . . . 0.0 116.844 176.231 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' B' B ' 28' ' ' PRO . . . . . . . . . . . . . 71.0 Cg_exo -61.86 156.01 51.29 Favored 'Trans proline' 0 C--N 1.357 0.974 0 C-N-CA 122.635 2.223 . . . . 0.0 114.37 175.934 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 22.7 tptm 62.55 -39.85 0.16 Allowed 'General case' 0 N--CA 1.484 1.274 0 C-N-CA 129.176 2.99 . . . . 0.0 116.954 178.298 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' B' B ' 30' ' ' THR . . . . . . . . . . . . . 34.4 m . . . . . 0 C--O 1.251 1.152 0 C-N-CA 125.775 1.63 . . . . 0.0 111.599 -175.956 . . . . . . . . 0 0 . 1 . 025 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.626 0 N-CA-C 112.402 -0.279 . . . . 0.0 112.402 . . . . . . . . . 0 0 . 1 . 025 nuclear orig full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 14.6 tt -66.09 -42.19 90.93 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.894 0 C-N-CA 124.769 1.228 . . . . 0.0 114.177 -175.382 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 10.9 p -63.44 -48.99 84.56 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.883 0 O-C-N 121.332 -0.855 . . . . 0.0 112.299 -169.255 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 14.5 pt-20 -69.35 -5.77 25.49 Favored 'General case' 0 CA--C 1.544 0.729 0 C-N-CA 125.333 1.453 . . . . 0.0 114.167 176.104 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 91.8 mt-30 -102.98 -32.93 9.49 Favored 'General case' 0 CA--C 1.54 0.589 0 C-N-CA 125.091 1.356 . . . . 0.0 112.171 176.767 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 73.9 m -103.82 -18.63 14.57 Favored 'General case' 0 CA--C 1.544 0.738 0 N-CA-C 115.679 1.733 . . . . 0.0 115.679 179.64 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 3.7 m -81.78 -24.17 36.15 Favored 'General case' 0 N--CA 1.478 0.974 0 CA-C-N 120.457 1.48 . . . . 0.0 113.726 177.864 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 6.9 t -111.82 -12.22 13.84 Favored 'General case' 0 N--CA 1.481 1.087 0 C-N-CA 124.929 1.292 . . . . 0.0 113.869 -176.562 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 68.7 m -140.61 158.04 44.58 Favored 'General case' 0 N--CA 1.47 0.537 0 C-N-CA 126.372 1.869 . . . . 0.0 110.475 177.421 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 25.9 mt -66.07 139.12 21.76 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.657 0 C-N-CA 123.486 0.714 . . . . 0.0 111.75 -178.871 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 50.3 m -122.01 156.93 32.45 Favored 'General case' 0 CA--C 1.542 0.663 0 C-N-CA 125.334 1.454 . . . . 0.0 111.592 169.516 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 48.7 m -137.0 159.63 41.31 Favored 'General case' 0 N--CA 1.471 0.589 0 C-N-CA 126.499 1.92 . . . . 0.0 109.625 179.584 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 2.5 pt? -56.07 -33.76 65.33 Favored 'General case' 0 CA--C 1.542 0.663 0 N-CA-C 113.262 0.838 . . . . 0.0 113.262 -177.014 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 27.1 m-85 -64.26 -27.88 69.35 Favored 'General case' 0 CA--C 1.541 0.611 0 C-N-CA 125.039 1.336 . . . . 0.0 113.593 176.532 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 20.8 mm100 -86.53 -35.0 19.8 Favored 'General case' 0 N--CA 1.468 0.461 0 C-N-CA 124.637 1.175 . . . . 0.0 111.35 172.423 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 97.1 mt -65.38 -25.36 67.53 Favored 'General case' 0 CA--C 1.542 0.662 0 N-CA-C 113.087 0.773 . . . . 0.0 113.087 177.181 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 38.7 mt-10 -57.55 -27.26 62.49 Favored 'General case' 0 CA--C 1.544 0.721 0 N-CA-C 113.569 0.952 . . . . 0.0 113.569 167.801 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 75.4 m-20 -71.06 -29.34 65.2 Favored 'General case' 0 CA--C 1.541 0.633 0 CA-C-N 119.658 1.117 . . . . 0.0 112.238 179.345 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 33.9 m-85 -82.85 -26.97 31.14 Favored 'General case' 0 N--CA 1.473 0.68 0 C-N-CA 123.645 0.778 . . . . 0.0 112.227 173.809 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 31.7 t -70.37 -41.16 73.47 Favored 'General case' 0 CA--C 1.546 0.814 0 C-N-CA 124.602 1.161 . . . . 0.0 112.528 170.788 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 59.5 t-20 . . . . . 0 CA--C 1.543 0.689 0 C-N-CA 125.679 1.592 . . . . 0.0 111.541 -174.894 . . . . . . . . 0 0 . 1 . 025 nuclear orig full ' B' B ' 1' ' ' PHE . . . . . . . . . . . . . 8.0 t80 . . . . . 0 CA--C 1.541 0.62 0 N-CA-C 111.597 0.221 . . . . 0.0 111.597 . . . . . . . . . 0 0 . 1 . 025 nuclear orig full ' B' B ' 2' ' ' VAL . . . . . . . . . . . . . 29.8 m -134.59 141.67 42.72 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.921 0 C-N-CA 124.818 1.247 . . . . 0.0 110.951 169.512 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' B' B ' 3' ' ' ASN . . . . . . . . . . . . . 5.9 p-10 -57.1 139.39 52.55 Favored 'General case' 0 CA--C 1.534 0.341 0 C-N-CA 123.849 0.86 . . . . 0.0 112.854 176.59 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' B' B ' 4' ' ' GLN . . . . . . . . . . . . . 7.4 pt20 -169.76 156.93 6.62 Favored 'General case' 0 CA--C 1.535 0.393 0 C-N-CA 125.673 1.589 . . . . 0.0 110.228 179.934 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' B' B ' 5' ' ' HIS . . . . . . . . . . . . . 22.7 m-70 -62.9 140.98 58.87 Favored 'General case' 0 CA--C 1.542 0.649 0 C-N-CA 123.907 0.883 . . . . 0.0 109.742 158.649 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 69.0 mt -137.84 134.76 35.5 Favored 'General case' 0 N--CA 1.472 0.628 0 C-N-CA 125.036 1.334 . . . . 0.0 111.623 -172.742 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' B' B ' 7' ' ' CYS . . . . . . . . . . . . . 86.5 m -139.81 158.49 44.01 Favored 'General case' 0 CA--C 1.539 0.557 0 C-N-CA 125.207 1.403 . . . . 0.0 112.635 179.36 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' B' B ' 8' ' ' GLY . . . . . . . . . . . . . . . 52.87 -131.8 40.66 Favored Glycine 0 CA--C 1.533 1.196 0 C-N-CA 124.556 1.074 . . . . 0.0 114.416 168.314 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' B' B ' 9' ' ' SER . . . . . . . . . . . . . 36.0 p -58.35 -34.82 71.07 Favored 'General case' 0 N--CA 1.471 0.594 0 C-N-CA 124.105 0.962 . . . . 0.0 113.402 177.846 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' B' B ' 10' ' ' HIS . . . . . . . . . . . . . 27.2 m-70 -68.48 -38.7 81.28 Favored 'General case' 0 N--CA 1.472 0.644 0 CA-C-N 119.061 0.846 . . . . 0.0 111.932 177.409 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 51.1 tp -66.62 -42.3 87.0 Favored 'General case' 0 N--CA 1.469 0.499 0 C-N-CA 124.244 1.018 . . . . 0.0 111.955 175.476 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 86.5 t -65.71 -47.4 86.11 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.779 0 C-N-CA 123.715 0.806 . . . . 0.0 111.069 175.673 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 38.2 mt-10 -64.91 -39.17 93.1 Favored 'General case' 0 N--CA 1.47 0.569 0 O-C-N 121.458 -0.776 . . . . 0.0 112.339 179.195 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -64.69 -37.03 86.21 Favored 'General case' 0 CA--C 1.54 0.576 0 O-C-N 121.302 -0.874 . . . . 0.0 113.102 -179.731 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 1.8 pp -81.02 -35.56 31.74 Favored 'General case' 0 N--CA 1.467 0.401 0 O-C-N 121.93 -0.481 . . . . 0.0 110.754 178.28 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' B' B ' 16' ' ' TYR . . . . . . . . . . . . . 7.7 t80 -59.96 -37.69 80.32 Favored 'General case' 0 CA--C 1.539 0.557 0 C-N-CA 124.347 1.059 . . . . 0.0 112.26 172.767 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 33.4 mt -69.28 -45.6 69.23 Favored 'General case' 0 N--CA 1.468 0.431 0 C-N-CA 123.942 0.897 . . . . 0.0 111.84 179.357 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' B' B ' 18' ' ' VAL . . . . . . . . . . . . . 5.3 p -73.54 -28.8 25.66 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.859 0 N-CA-C 112.621 0.6 . . . . 0.0 112.621 178.03 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' B' B ' 19' ' ' CYS . . . . . . . . . . . . . 2.0 t -77.48 -21.31 53.01 Favored 'General case' 0 N--CA 1.471 0.597 0 C-N-CA 124.216 1.006 . . . . 0.0 113.26 174.722 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . 73.32 26.33 70.63 Favored Glycine 0 CA--C 1.53 1.024 0 C-N-CA 124.159 0.885 . . . . 0.0 113.581 174.208 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 39.2 tt0 66.78 -40.39 0.37 Allowed 'General case' 0 N--CA 1.483 1.204 0 C-N-CA 128.444 2.698 . . . . 0.0 116.246 -179.949 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' B' B ' 22' ' ' ARG . . . . . . . . . . . . . 96.6 mtt180 -119.28 -28.48 5.4 Favored 'General case' 0 N--CA 1.48 1.072 0 C-N-CA 125.912 1.685 . . . . 0.0 113.357 -162.617 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . -69.41 174.8 34.18 Favored Glycine 0 CA--C 1.538 1.503 0 C-N-CA 124.273 0.939 . . . . 0.0 112.993 164.155 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' B' B ' 24' ' ' DHI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 025 nuclear orig full ' B' B ' 25' ' ' PHE . . . . . . . . . . . . . 84.3 m-85 -66.6 168.19 9.7 Favored 'General case' 0 CA--C 1.546 0.792 0 C-N-CA 124.333 1.053 . . . . 0.0 112.506 172.877 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' B' B ' 26' ' ' TYR . . . . . . . . . . . . . 62.7 m-85 -54.84 140.13 37.65 Favored 'General case' 0 CA--C 1.541 0.6 0 C-N-CA 124.744 1.218 . . . . 0.0 113.978 -171.166 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' B' B ' 27' ' ' THR . . . . . . . . . . . . . 61.7 m -118.47 106.38 44.66 Favored Pre-proline 0 N--CA 1.476 0.841 0 C-N-CA 125.348 1.459 . . . . 0.0 109.627 178.531 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' B' B ' 28' ' ' PRO . . . . . . . . . . . . . 71.7 Cg_exo -58.67 148.86 80.25 Favored 'Trans proline' 0 CA--C 1.54 0.782 0 C-N-CA 123.621 2.88 . . . . 0.0 114.057 178.052 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 14.9 ptmm? -149.7 166.84 28.16 Favored 'General case' 0 N--CA 1.474 0.758 0 C-N-CA 126.007 1.723 . . . . 0.0 112.097 -179.657 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' B' B ' 30' ' ' THR . . . . . . . . . . . . . 20.4 p . . . . . 0 C--O 1.252 1.237 0 C-N-CA 125.731 1.612 . . . . 0.0 113.127 170.331 . . . . . . . . 0 0 . 1 . 026 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.666 0 N-CA-C 111.996 -0.442 . . . . 0.0 111.996 . . . . . . . . . 0 0 . 1 . 026 nuclear orig full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 11.6 tt -77.74 -33.26 18.7 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.044 0 C-N-CA 124.711 1.204 . . . . 0.0 113.475 -178.768 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 40.0 t -56.23 139.87 15.05 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.83 0 C-N-CA 124.237 1.015 . . . . 0.0 110.027 169.838 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . 0.306 9.8 pt-20 48.75 24.07 0.76 Allowed 'General case' 0 CA--C 1.55 0.981 0 C-N-CA 126.422 1.889 . . . . 0.0 115.647 -169.411 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 18.2 mm-40 -112.09 -54.39 2.62 Favored 'General case' 0 N--CA 1.471 0.613 0 C-N-CA 124.764 1.226 . . . . 0.0 110.303 162.45 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 5.4 t -87.31 -6.15 58.63 Favored 'General case' 0 CA--C 1.55 0.953 0 N-CA-C 113.906 1.076 . . . . 0.0 113.906 172.993 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 49.1 t -92.62 -24.33 18.72 Favored 'General case' 0 CA--C 1.546 0.81 0 O-C-N 121.336 -0.853 . . . . 0.0 113.146 174.618 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 5.4 t -93.97 -28.9 15.53 Favored 'General case' 0 N--CA 1.481 1.108 0 C-N-CA 124.269 1.027 . . . . 0.0 113.209 176.858 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 74.4 m -139.27 162.21 35.56 Favored 'General case' 0 N--CA 1.47 0.547 0 C-N-CA 126.587 1.955 . . . . 0.0 110.758 179.426 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 57.4 mt -67.27 142.08 17.05 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.701 0 O-C-N 121.506 -0.746 . . . . 0.0 110.492 174.033 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 17.4 p -124.02 149.94 45.48 Favored 'General case' 0 CA--C 1.541 0.629 0 C-N-CA 124.278 1.031 . . . . 0.0 112.296 168.236 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 54.4 m -95.01 155.41 16.74 Favored 'General case' 0 N--CA 1.474 0.765 0 C-N-CA 124.85 1.26 . . . . 0.0 111.061 171.447 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 2.5 pt? -56.72 -31.04 64.12 Favored 'General case' 0 N--CA 1.474 0.775 0 N-CA-C 113.88 1.067 . . . . 0.0 113.88 178.519 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 26.3 m-85 -61.71 -20.89 63.98 Favored 'General case' 0 CA--C 1.544 0.731 0 C-N-CA 125.064 1.346 . . . . 0.0 113.717 174.74 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 30.3 mt-30 -98.56 -41.6 7.67 Favored 'General case' 0 N--CA 1.468 0.434 0 C-N-CA 126.5 1.92 . . . . 0.0 111.262 171.745 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . 0.256 0.1 OUTLIER -79.96 -25.79 40.25 Favored 'General case' 0 CA--C 1.549 0.918 0 C-N-CA 123.727 0.811 . . . . 0.0 112.688 -168.068 . . . . . . . . 3 3 . 1 . 026 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 39.0 mt-10 -68.64 -24.77 64.59 Favored 'General case' 0 N--CA 1.476 0.841 0 O-C-N 120.85 -1.156 . . . . 0.0 113.237 169.581 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 88.2 m-20 -61.32 -32.32 72.18 Favored 'General case' 0 N--CA 1.474 0.744 0 O-C-N 121.152 -0.967 . . . . 0.0 112.0 -179.857 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 74.5 m-85 -70.77 -19.84 62.67 Favored 'General case' 0 CA--C 1.541 0.6 0 N-CA-C 114.054 1.131 . . . . 0.0 114.054 175.274 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 42.7 t -80.13 -49.32 11.87 Favored 'General case' 0 CA--C 1.54 0.572 0 C-N-CA 123.498 0.719 . . . . 0.0 111.07 169.55 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 25.2 t-20 . . . . . 0 CA--C 1.541 0.619 0 C-N-CA 124.729 1.212 . . . . 0.0 111.525 178.171 . . . . . . . . 0 0 . 1 . 026 nuclear orig full ' B' B ' 1' ' ' PHE . . . . . . . . . . . . . 73.6 t80 . . . . . 0 CA--C 1.54 0.559 0 N-CA-C 112.315 0.487 . . . . 0.0 112.315 . . . . . . . . . 0 0 . 1 . 026 nuclear orig full ' B' B ' 2' ' ' VAL . . . . . . . . . . . . . 17.9 m -133.35 135.65 55.93 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.755 0 C-N-CA 125.277 1.431 . . . . 0.0 109.715 167.359 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' B' B ' 3' ' ' ASN . . . . . . . . . . . . . 8.5 m-20 -61.47 141.64 57.55 Favored 'General case' 0 CA--C 1.534 0.344 0 CA-C-O 122.114 0.959 . . . . 0.0 113.335 -172.388 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' B' B ' 4' ' ' GLN . . . . . . . . . . . . . 5.9 pt20 -169.58 171.11 7.76 Favored 'General case' 0 CA--C 1.54 0.585 0 C-N-CA 127.933 2.493 . . . . 0.0 107.863 177.63 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' B' B ' 5' ' ' HIS . . . . . . . . . . . . . 17.5 m-70 -78.24 132.72 37.65 Favored 'General case' 0 CA--C 1.541 0.608 0 C-N-CA 124.34 1.056 . . . . 0.0 110.382 164.059 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 3.1 mm? -122.44 142.41 50.58 Favored 'General case' 0 CA--C 1.539 0.552 0 C-N-CA 125.556 1.543 . . . . 0.0 111.109 175.014 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' B' B ' 7' ' ' CYS . . . . . . . . . . . . . 86.9 m -140.63 154.9 46.62 Favored 'General case' 0 CA--C 1.541 0.622 0 C-N-CA 124.465 1.106 . . . . 0.0 112.279 -173.551 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' B' B ' 8' ' ' GLY . . . . . . . . . . . . . . . 53.8 -133.58 44.03 Favored Glycine 0 CA--C 1.535 1.32 0 C-N-CA 124.437 1.018 . . . . 0.0 114.606 169.656 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' B' B ' 9' ' ' SER . . . . . . . . . . . . . 39.9 p -62.74 -30.48 71.46 Favored 'General case' 0 N--CA 1.472 0.655 0 N-CA-C 113.446 0.906 . . . . 0.0 113.446 176.359 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' B' B ' 10' ' ' HIS . . . . . . . . . . . . . 26.5 m-70 -69.49 -30.32 68.16 Favored 'General case' 0 N--CA 1.469 0.49 0 O-C-N 121.444 -0.785 . . . . 0.0 111.74 177.296 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 45.6 tp -68.93 -41.05 78.62 Favored 'General case' 0 CA--C 1.538 0.501 0 C-N-CA 124.179 0.992 . . . . 0.0 112.099 173.095 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 71.6 t -66.23 -43.21 91.9 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.787 0 C-N-CA 123.764 0.825 . . . . 0.0 111.015 176.487 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 40.4 mt-10 -66.59 -43.45 84.84 Favored 'General case' 0 N--CA 1.469 0.507 0 O-C-N 121.468 -0.77 . . . . 0.0 111.987 174.421 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -62.2 -39.51 93.01 Favored 'General case' 0 CA--C 1.537 0.454 0 CA-C-N 119.139 0.882 . . . . 0.0 112.735 179.753 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 2.1 pp -74.22 -34.13 63.59 Favored 'General case' 0 N--CA 1.468 0.462 0 CA-C-N 118.938 0.79 . . . . 0.0 111.834 -179.747 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' B' B ' 16' ' ' TYR . . . . . . . . . . . . . 2.9 t80 -63.64 -44.64 93.28 Favored 'General case' 0 CA--C 1.541 0.621 0 C-N-CA 123.794 0.838 . . . . 0.0 111.14 171.177 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 47.3 mt -69.54 -44.13 71.56 Favored 'General case' 0 N--CA 1.469 0.498 0 C-N-CA 124.191 0.996 . . . . 0.0 112.635 -177.632 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' B' B ' 18' ' ' VAL . . . . . . . . . . . . . 5.3 p -74.58 -28.16 21.84 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.819 0 C-N-CA 123.106 0.562 . . . . 0.0 112.252 -178.447 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' B' B ' 19' ' ' CYS . . . . . . . . . . . . . 48.8 t -75.5 -37.76 59.95 Favored 'General case' 0 CA--C 1.536 0.412 0 C-N-CA 123.823 0.849 . . . . 0.0 112.434 172.198 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . 62.25 23.02 63.8 Favored Glycine 0 CA--C 1.537 1.432 0 O-C-N 121.687 -0.633 . . . . 0.0 113.336 -176.696 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 18.4 tt0 57.04 32.53 21.83 Favored 'General case' 0 CA--C 1.552 1.044 0 C-N-CA 125.925 1.69 . . . . 0.0 113.972 -173.267 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' B' B ' 22' ' ' ARG . . . . . . . . . . . . . 10.7 ptm180 -69.65 -10.94 60.25 Favored 'General case' 0 N--CA 1.481 1.087 0 N-CA-C 115.649 1.722 . . . . 0.0 115.649 -178.526 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . -63.33 154.31 45.0 Favored Glycine 0 CA--C 1.535 1.341 0 C-N-CA 124.553 1.073 . . . . 0.0 114.768 -173.713 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' B' B ' 24' ' ' DHI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 026 nuclear orig full ' B' B ' 25' ' ' PHE . . . . . . . . . . . . . 51.0 m-85 -81.64 150.3 28.14 Favored 'General case' 0 CA--C 1.539 0.554 0 C-N-CA 126.565 1.946 . . . . 0.0 113.053 -167.816 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' B' B ' 26' ' ' TYR . . . . . . . . . . . . . 97.7 m-85 -82.92 113.43 20.51 Favored 'General case' 0 N--CA 1.468 0.468 0 C-N-CA 123.619 0.767 . . . . 0.0 110.743 170.858 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' B' B ' 27' ' ' THR . . . . . . . . . . . . . 44.9 m -140.91 108.48 6.41 Favored Pre-proline 0 N--CA 1.474 0.755 0 C-N-CA 124.795 1.238 . . . . 0.0 109.867 -178.065 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' B' B ' 28' ' ' PRO . . . . . . . . . . . . . 73.5 Cg_endo -70.3 154.27 65.72 Favored 'Trans proline' 0 CA--C 1.539 0.774 0 C-N-CA 122.954 2.436 . . . . 0.0 112.06 176.305 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 75.5 mmtt -134.12 154.79 50.98 Favored 'General case' 0 N--CA 1.474 0.768 0 C-N-CA 126.201 1.8 . . . . 0.0 111.21 -176.754 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' B' B ' 30' ' ' THR . . . . . . . . . . . . . 19.5 p . . . . . 0 C--O 1.252 1.232 0 C-N-CA 126.141 1.776 . . . . 0.0 113.249 178.012 . . . . . . . . 0 0 . 1 . 027 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.479 1.55 0 N-CA-C 110.711 -0.956 . . . . 0.0 110.711 . . . . . . . . . 0 0 . 1 . 027 nuclear orig full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 11.6 tt -62.84 -42.25 95.68 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.787 0 N-CA-C 113.695 0.998 . . . . 0.0 113.695 -166.058 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 7.5 p -59.94 -45.19 95.51 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.705 0 C-N-CA 123.923 0.889 . . . . 0.0 111.642 178.604 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 34.6 tt0 -73.77 -32.48 63.82 Favored 'General case' 0 CA--C 1.539 0.535 0 O-C-N 121.172 -0.955 . . . . 0.0 112.68 179.851 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 74.2 mt-30 -75.38 -33.24 61.01 Favored 'General case' 0 CA--C 1.538 0.505 0 N-CA-C 113.399 0.889 . . . . 0.0 113.399 176.127 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 71.3 m -109.4 -31.39 7.55 Favored 'General case' 0 CA--C 1.549 0.909 0 N-CA-C 116.266 1.951 . . . . 0.0 116.266 -171.613 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 89.5 m -87.2 -26.77 23.37 Favored 'General case' 0 N--CA 1.479 0.991 0 CA-C-N 120.989 1.722 . . . . 0.0 113.797 -171.199 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 13.8 t -111.26 -17.34 13.19 Favored 'General case' 0 N--CA 1.482 1.142 0 C-N-CA 125.229 1.412 . . . . 0.0 113.504 -176.218 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 80.0 p -144.16 173.47 11.71 Favored 'General case' 0 CA--C 1.541 0.596 0 C-N-CA 126.405 1.882 . . . . 0.0 110.697 171.594 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 51.3 mt -73.81 139.27 19.65 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.74 0 O-C-N 121.185 -0.947 . . . . 0.0 111.321 -179.402 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 18.5 p -124.71 158.84 32.26 Favored 'General case' 0 CA--C 1.541 0.602 0 C-N-CA 124.65 1.18 . . . . 0.0 112.126 166.83 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 64.7 p -98.64 166.81 11.15 Favored 'General case' 0 N--CA 1.468 0.46 0 C-N-CA 124.659 1.184 . . . . 0.0 112.563 179.26 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 2.2 pp -57.99 -29.88 65.61 Favored 'General case' 0 CA--C 1.543 0.706 0 C-N-CA 123.439 0.695 . . . . 0.0 112.275 169.124 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 48.0 m-85 -73.95 -29.03 61.79 Favored 'General case' 0 CA--C 1.539 0.52 0 C-N-CA 123.93 0.892 . . . . 0.0 112.514 179.961 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 42.0 mt-30 -73.47 -42.83 61.4 Favored 'General case' 0 N--CA 1.468 0.444 0 C-N-CA 123.843 0.857 . . . . 0.0 111.167 172.257 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 98.9 mt -57.84 -34.54 69.81 Favored 'General case' 0 CA--C 1.545 0.779 0 N-CA-C 113.282 0.845 . . . . 0.0 113.282 176.378 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 41.7 mt-10 -61.25 -21.72 64.15 Favored 'General case' 0 N--CA 1.475 0.796 0 N-CA-C 113.99 1.107 . . . . 0.0 113.99 175.801 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 80.6 m-20 -71.75 -23.47 61.61 Favored 'General case' 0 CA--C 1.544 0.735 0 O-C-N 121.254 -0.904 . . . . 0.0 112.347 174.524 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 55.4 m-85 -102.08 -24.52 13.95 Favored 'General case' 0 N--CA 1.471 0.605 0 N-CA-C 114.924 1.453 . . . . 0.0 114.924 -171.055 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 19.2 p -73.69 -27.23 61.11 Favored 'General case' 0 CA--C 1.54 0.583 0 N-CA-C 114.752 1.39 . . . . 0.0 114.752 -174.102 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 57.6 t-20 . . . . . 0 CA--C 1.544 0.713 0 C-N-CA 126.22 1.808 . . . . 0.0 112.629 -174.205 . . . . . . . . 0 0 . 1 . 027 nuclear orig full ' B' B ' 1' ' ' PHE . . . . . . . . . . . . . 43.6 t80 . . . . . 0 CA--C 1.542 0.664 0 N-CA-C 112.126 0.417 . . . . 0.0 112.126 . . . . . . . . . 0 0 . 1 . 027 nuclear orig full ' B' B ' 2' ' ' VAL . . . . . . . . . . . . . 47.7 t -136.4 129.47 46.19 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.821 0 C-N-CA 125.419 1.488 . . . . 0.0 108.915 172.779 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' B' B ' 3' ' ' ASN . . . . . . . . . . . . . 75.6 m-20 -59.8 136.9 58.14 Favored 'General case' 0 N--CA 1.469 0.49 0 CA-C-O 121.149 0.499 . . . . 0.0 111.817 178.898 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' B' B ' 4' ' ' GLN . . . . . . . . . . . . . 6.7 pt20 -164.99 163.92 20.67 Favored 'General case' 0 CA--C 1.536 0.442 0 C-N-CA 125.194 1.397 . . . . 0.0 110.347 179.687 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' B' B ' 5' ' ' HIS . . . . . . . . . . . . . 21.1 m-70 -72.0 72.41 0.85 Allowed 'General case' 0 CA--C 1.549 0.906 0 C-N-CA 125.945 1.698 . . . . 0.0 111.635 171.621 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 74.0 mt -66.16 131.31 45.87 Favored 'General case' 0 N--CA 1.471 0.585 0 C-N-CA 124.629 1.171 . . . . 0.0 112.36 -178.11 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' B' B ' 7' ' ' CYS . . . . . . . . . . . . . 2.4 t -151.83 161.82 42.04 Favored 'General case' 0 CA--C 1.541 0.615 0 N-CA-C 112.951 0.723 . . . . 0.0 112.951 176.799 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' B' B ' 8' ' ' GLY . . . . . . . . . . . . . . . 57.76 -136.18 51.03 Favored Glycine 0 CA--C 1.534 1.236 0 C-N-CA 124.135 0.874 . . . . 0.0 113.12 178.165 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' B' B ' 9' ' ' SER . . . . . . . . . . . . . 25.5 m -57.65 -36.73 72.25 Favored 'General case' 0 N--CA 1.472 0.671 0 C-N-CA 123.795 0.838 . . . . 0.0 112.787 178.533 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' B' B ' 10' ' ' HIS . . . . . . . . . . . . . 32.4 m170 -62.99 -37.48 87.3 Favored 'General case' 0 N--CA 1.471 0.622 0 C-N-CA 123.644 0.778 . . . . 0.0 112.354 178.164 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 48.4 tp -68.2 -42.19 80.22 Favored 'General case' 0 CA--C 1.537 0.465 0 C-N-CA 124.068 0.947 . . . . 0.0 112.073 176.76 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 86.7 t -66.45 -43.8 90.83 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.741 0 C-N-CA 123.786 0.834 . . . . 0.0 111.022 176.538 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 42.7 mt-10 -64.5 -41.64 96.31 Favored 'General case' 0 N--CA 1.469 0.493 0 O-C-N 121.534 -0.729 . . . . 0.0 112.055 176.472 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -64.6 -36.5 84.45 Favored 'General case' 0 CA--C 1.543 0.673 0 N-CA-C 113.37 0.878 . . . . 0.0 113.37 -178.1 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 3.8 pp -80.95 -31.2 35.0 Favored 'General case' 0 N--CA 1.47 0.555 0 O-C-N 121.56 -0.712 . . . . 0.0 112.208 178.83 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' B' B ' 16' ' ' TYR . . . . . . . . . . . . . 5.7 t80 -63.44 -39.63 94.99 Favored 'General case' 0 CA--C 1.542 0.667 0 C-N-CA 124.693 1.197 . . . . 0.0 111.12 169.561 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 36.7 mt -71.97 -48.61 43.79 Favored 'General case' 0 N--CA 1.466 0.367 0 C-N-CA 124.5 1.12 . . . . 0.0 112.856 178.076 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' B' B ' 18' ' ' VAL . . . . . . . . . . . . . 4.4 p -65.84 -32.78 59.68 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.812 0 CA-C-N 118.332 0.514 . . . . 0.0 112.029 -174.646 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' B' B ' 19' ' ' CYS . . . . . . . . . . . . . 84.0 m -93.07 -27.44 16.96 Favored 'General case' 0 CA--C 1.538 0.483 0 N-CA-C 113.351 0.871 . . . . 0.0 113.351 -179.689 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . 60.81 24.97 63.13 Favored Glycine 0 CA--C 1.533 1.186 0 C-N-CA 124.497 1.046 . . . . 0.0 114.473 173.226 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 40.2 tt0 -54.1 -30.74 49.73 Favored 'General case' 0 N--CA 1.48 1.025 0 N-CA-C 114.978 1.473 . . . . 0.0 114.978 -161.859 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' B' B ' 22' ' ' ARG . . . . . . . . . . . . . 3.9 ppt_? -78.46 -2.72 39.9 Favored 'General case' 0 N--CA 1.477 0.905 0 N-CA-C 115.657 1.725 . . . . 0.0 115.657 178.968 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . -79.55 18.54 6.92 Favored Glycine 0 CA--C 1.536 1.371 0 N-CA-C 116.68 1.432 . . . . 0.0 116.68 -171.656 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' B' B ' 24' ' ' DHI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 027 nuclear orig full ' B' B ' 25' ' ' PHE . . . . . . . . . . . . . 74.8 m-85 -77.73 -13.86 59.77 Favored 'General case' 0 N--CA 1.477 0.915 0 N-CA-C 114.846 1.425 . . . . 0.0 114.846 179.99 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' B' B ' 26' ' ' TYR . . . . . . . . . . . . . 71.5 m-85 -115.2 137.54 51.91 Favored 'General case' 0 C--N 1.321 -0.658 0 C-N-CA 126.722 2.009 . . . . 0.0 112.434 -177.498 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' B' B ' 27' ' ' THR . . . . . . . . . . . . . 63.4 m -138.1 110.03 8.4 Favored Pre-proline 0 N--CA 1.475 0.819 0 C-N-CA 125.303 1.441 . . . . 0.0 109.745 177.134 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' B' B ' 28' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_exo -61.92 147.43 95.2 Favored 'Trans proline' 0 CA--C 1.541 0.828 0 C-N-CA 123.408 2.738 . . . . 0.0 113.335 174.489 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 22.4 tptm 62.23 149.33 0.02 OUTLIER 'General case' 0 N--CA 1.484 1.226 0 C-N-CA 128.132 2.573 . . . . 0.0 114.881 -175.173 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' B' B ' 30' ' ' THR . . . . . . . . . . . . . 27.1 m . . . . . 0 C--O 1.253 1.251 0 C-N-CA 126.592 1.957 . . . . 0.0 110.73 -179.825 . . . . . . . . 0 0 . 1 . 028 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.61 0 N-CA-C 110.248 -1.141 . . . . 0.0 110.248 . . . . . . . . . 0 0 . 1 . 028 nuclear orig full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 5.1 tp -81.74 -43.42 19.84 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.036 0 C-N-CA 123.801 0.84 . . . . 0.0 110.88 165.935 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 44.3 t -65.86 153.76 8.17 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.702 0 C-N-CA 124.933 1.293 . . . . 0.0 110.132 165.709 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 39.5 mt-10 66.07 -60.31 0.3 Allowed 'General case' 0 N--CA 1.47 0.57 0 C-N-CA 127.828 2.451 . . . . 0.0 112.392 -161.59 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 3.5 mp0 -59.54 -40.58 87.71 Favored 'General case' 0 N--CA 1.474 0.748 0 CA-C-N 119.396 0.998 . . . . 0.0 113.69 -171.55 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 19.1 m -94.3 -4.7 48.25 Favored 'General case' 0 CA--C 1.546 0.823 0 N-CA-C 114.856 1.428 . . . . 0.0 114.856 174.716 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 51.2 t -99.92 -31.33 11.53 Favored 'General case' 0 CA--C 1.545 0.786 0 C-N-CA 125.166 1.386 . . . . 0.0 113.724 179.826 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 6.2 t -78.92 -20.46 49.3 Favored 'General case' 0 N--CA 1.479 0.977 0 C-N-CA 125.202 1.401 . . . . 0.0 113.352 -175.44 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 8.6 t -145.96 175.75 10.21 Favored 'General case' 0 CA--C 1.537 0.48 0 C-N-CA 126.126 1.771 . . . . 0.0 110.255 172.168 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 26.2 mt -61.26 138.02 22.63 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.65 0 C-N-CA 123.611 0.764 . . . . 0.0 110.886 176.18 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 6.6 t -136.27 143.75 44.41 Favored 'General case' 0 CA--C 1.54 0.569 0 C-N-CA 124.949 1.299 . . . . 0.0 111.378 177.722 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 40.0 m -125.46 160.16 30.15 Favored 'General case' 0 N--CA 1.473 0.679 0 C-N-CA 125.012 1.325 . . . . 0.0 112.254 -167.3 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 2.2 pp -57.56 -32.92 67.61 Favored 'General case' 0 N--CA 1.473 0.707 0 O-C-N 121.41 -0.806 . . . . 0.0 113.111 -174.424 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 52.5 m-85 -65.56 -23.02 66.75 Favored 'General case' 0 CA--C 1.54 0.585 0 C-N-CA 125.175 1.39 . . . . 0.0 113.392 177.434 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 40.7 mt-30 -82.55 -46.72 13.0 Favored 'General case' 0 N--CA 1.466 0.348 0 C-N-CA 124.747 1.219 . . . . 0.0 110.442 170.981 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 86.5 mt -56.22 -31.11 63.2 Favored 'General case' 0 N--CA 1.474 0.741 0 C-N-CA 125.049 1.34 . . . . 0.0 113.455 179.664 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 62.1 mt-10 -59.53 -27.02 65.82 Favored 'General case' 0 CA--C 1.544 0.72 0 N-CA-C 113.917 1.08 . . . . 0.0 113.917 175.029 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 43.7 m-80 -73.2 -29.71 63.01 Favored 'General case' 0 N--CA 1.473 0.692 0 O-C-N 121.18 -0.95 . . . . 0.0 111.967 175.658 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 83.4 m-85 -78.74 -31.93 46.52 Favored 'General case' 0 CA--C 1.541 0.608 0 C-N-CA 124.673 1.189 . . . . 0.0 111.643 174.358 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 41.3 t -64.84 -45.75 84.82 Favored 'General case' 0 CA--C 1.545 0.767 0 C-N-CA 124.422 1.089 . . . . 0.0 111.851 168.934 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 50.8 t-20 . . . . . 0 CA--C 1.543 0.691 0 C-N-CA 125.147 1.379 . . . . 0.0 111.456 179.308 . . . . . . . . 0 0 . 1 . 028 nuclear orig full ' B' B ' 1' ' ' PHE . . . . . . . . . . . . . 42.3 t80 . . . . . 0 CA--C 1.541 0.634 0 N-CA-C 112.052 0.39 . . . . 0.0 112.052 . . . . . . . . . 0 0 . 1 . 028 nuclear orig full ' B' B ' 2' ' ' VAL . . . . . . . . . . . . . 48.3 t -136.32 127.49 42.9 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.927 0 C-N-CA 125.363 1.465 . . . . 0.0 109.367 174.639 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' B' B ' 3' ' ' ASN . . . . . . . . . . . . . 38.6 m-20 -63.02 138.5 58.58 Favored 'General case' 0 N--CA 1.469 0.485 0 C-N-CA 123.094 0.557 . . . . 0.0 111.467 -179.539 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' B' B ' 4' ' ' GLN . . . . . . . . . . . . . 8.0 pt20 -165.54 163.55 19.41 Favored 'General case' 0 CA--C 1.532 0.28 0 C-N-CA 124.617 1.167 . . . . 0.0 110.792 -177.098 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' B' B ' 5' ' ' HIS . . . . . . . . . . . . . 24.4 m-70 -69.58 77.76 0.42 Allowed 'General case' 0 CA--C 1.544 0.745 0 C-N-CA 125.882 1.673 . . . . 0.0 110.238 164.79 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 42.3 mt -62.53 119.34 8.99 Favored 'General case' 0 N--CA 1.47 0.545 0 C-N-CA 124.931 1.293 . . . . 0.0 112.535 -172.755 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' B' B ' 7' ' ' CYS . . . . . . . . . . . . . 0.7 OUTLIER -163.56 178.72 7.76 Favored 'General case' 0 CA--C 1.542 0.651 0 C-N-CA 123.952 0.901 . . . . 0.0 111.564 -174.981 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' B' B ' 8' ' ' GLY . . . . . . . . . . . . . . . 61.03 37.62 94.18 Favored Glycine 0 N--CA 1.478 1.435 0 O-C-N 120.661 -1.275 . . . . 0.0 115.006 170.47 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' B' B ' 9' ' ' SER . . . . . . . . . . . . . 1.6 t 70.22 -8.82 0.81 Allowed 'General case' 0 N--CA 1.476 0.861 0 C-N-CA 128.653 2.781 . . . . 0.0 116.255 -172.426 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' B' B ' 10' ' ' HIS . . . . . . . . . . . . . 28.6 m-70 -62.11 -32.0 72.51 Favored 'General case' 0 N--CA 1.479 0.983 0 O-C-N 120.125 -1.61 . . . . 0.0 111.273 167.439 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 55.3 tp -58.33 -42.83 87.65 Favored 'General case' 0 CA--C 1.538 0.496 0 C-N-CA 125.634 1.574 . . . . 0.0 112.869 170.965 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 47.3 t -70.64 -43.19 77.77 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.664 0 C-N-CA 124.031 0.932 . . . . 0.0 110.337 179.508 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 45.3 mt-10 -63.89 -40.57 96.83 Favored 'General case' 0 N--CA 1.471 0.594 0 O-C-N 121.801 -0.562 . . . . 0.0 112.286 175.303 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -64.37 -39.17 93.35 Favored 'General case' 0 CA--C 1.541 0.632 0 O-C-N 121.346 -0.847 . . . . 0.0 112.935 179.559 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 3.6 pp -79.62 -30.21 41.31 Favored 'General case' 0 N--CA 1.468 0.461 0 O-C-N 121.811 -0.555 . . . . 0.0 111.731 178.278 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' B' B ' 16' ' ' TYR . . . . . . . . . . . . . 3.6 t80 -62.34 -40.78 97.49 Favored 'General case' 0 CA--C 1.54 0.577 0 C-N-CA 123.814 0.845 . . . . 0.0 111.423 170.033 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 40.4 mt -67.94 -47.67 68.05 Favored 'General case' 0 N--CA 1.467 0.399 0 C-N-CA 123.284 0.634 . . . . 0.0 112.128 -179.499 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' B' B ' 18' ' ' VAL . . . . . . . . . . . . . 5.1 p -73.22 -27.39 24.02 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.953 0 N-CA-C 113.183 0.809 . . . . 0.0 113.183 -177.451 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' B' B ' 19' ' ' CYS . . . . . . . . . . . . . 6.5 t -90.43 -37.18 14.13 Favored 'General case' 0 CA--C 1.542 0.655 0 C-N-CA 124.009 0.924 . . . . 0.0 112.78 -179.624 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . -86.03 -22.08 50.27 Favored Glycine 0 CA--C 1.536 1.362 0 C-N-CA 124.959 1.266 . . . . 0.0 115.097 -178.076 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 33.3 tt0 -139.93 138.91 35.98 Favored 'General case' 0 N--CA 1.471 0.611 0 CA-C-N 118.86 1.33 . . . . 0.0 111.666 178.708 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' B' B ' 22' ' ' ARG . . . . . . . . . . . . . 24.2 mmm180 -112.02 -0.79 15.59 Favored 'General case' 0 N--CA 1.474 0.765 0 C-N-CA 125.582 1.553 . . . . 0.0 114.417 -178.078 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . -73.73 -57.91 4.73 Favored Glycine 0 CA--C 1.534 1.227 0 C-N-CA 125.026 1.298 . . . . 0.0 113.786 -176.862 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' B' B ' 24' ' ' DHI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 028 nuclear orig full ' B' B ' 25' ' ' PHE . . . . . . . . . . . . . 39.7 m-85 -66.83 153.95 42.1 Favored 'General case' 0 CA--C 1.542 0.645 0 C-N-CA 124.785 1.234 . . . . 0.0 113.401 -173.663 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' B' B ' 26' ' ' TYR . . . . . . . . . . . . . 71.7 m-85 -66.46 144.13 56.68 Favored 'General case' 0 CA--C 1.541 0.603 0 C-N-CA 124.094 0.957 . . . . 0.0 112.641 -179.121 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' B' B ' 27' ' ' THR . . . . . . . . . . . . . 10.0 m 45.94 72.35 1.27 Allowed Pre-proline 0 N--CA 1.481 1.09 0 C-N-CA 126.78 2.032 . . . . 0.0 113.785 179.727 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' B' B ' 28' ' ' PRO . . . . . . . . . . . . . 52.6 Cg_exo -59.07 151.89 63.03 Favored 'Trans proline' 0 CA--C 1.54 0.782 0 C-N-CA 123.418 2.746 . . . . 0.0 113.552 176.874 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 32.3 mmmt -130.74 153.19 49.27 Favored 'General case' 0 N--CA 1.474 0.749 0 C-N-CA 126.331 1.852 . . . . 0.0 111.054 -179.688 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' B' B ' 30' ' ' THR . . . . . . . . . . . . . 14.8 t . . . . . 0 C--O 1.253 1.27 0 C-N-CA 126.509 1.923 . . . . 0.0 111.745 178.125 . . . . . . . . 0 0 . 1 . 029 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.482 1.711 0 N-CA-C 112.241 -0.344 . . . . 0.0 112.241 . . . . . . . . . 0 0 . 1 . 029 nuclear orig full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 4.7 tp -49.21 -43.5 16.23 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.067 0 C-N-CA 126.701 2.0 . . . . 0.0 114.814 -173.951 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 7.1 p -68.4 -46.25 80.9 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.872 0 O-C-N 121.264 -0.897 . . . . 0.0 111.968 178.62 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 41.4 tt0 -67.69 -29.15 68.35 Favored 'General case' 0 CA--C 1.543 0.697 0 C-N-CA 124.169 0.988 . . . . 0.0 112.525 177.682 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 6.3 tp-100 -63.35 -40.02 96.13 Favored 'General case' 0 CA--C 1.538 0.496 0 C-N-CA 124.213 1.005 . . . . 0.0 112.178 175.954 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 90.6 m -119.18 -25.22 6.21 Favored 'General case' 0 CA--C 1.544 0.722 0 N-CA-C 116.183 1.92 . . . . 0.0 116.183 -164.377 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 19.9 t -81.37 -30.36 33.74 Favored 'General case' 0 CA--C 1.543 0.71 0 CA-C-N 119.904 1.229 . . . . 0.0 113.012 -170.775 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 10.7 t -101.22 -18.43 16.15 Favored 'General case' 0 N--CA 1.479 0.996 0 C-N-CA 125.153 1.381 . . . . 0.0 113.895 -176.586 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 8.3 t -151.85 167.61 27.75 Favored 'General case' 0 N--CA 1.472 0.648 0 C-N-CA 125.556 1.542 . . . . 0.0 111.303 179.324 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 25.1 mt -61.01 139.15 20.79 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.599 0 C-N-CA 124.322 1.049 . . . . 0.0 111.3 178.389 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 14.4 p -132.55 167.99 19.03 Favored 'General case' 0 CA--C 1.543 0.701 0 C-N-CA 124.193 0.997 . . . . 0.0 112.194 168.794 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 65.4 m -129.19 159.1 37.11 Favored 'General case' 0 N--CA 1.474 0.75 0 C-N-CA 124.8 1.24 . . . . 0.0 112.559 -173.401 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 2.0 pp -58.33 -31.98 68.06 Favored 'General case' 0 N--CA 1.472 0.639 0 C-N-CA 124.081 0.953 . . . . 0.0 113.113 -175.611 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 51.2 m-85 -66.43 -22.12 66.22 Favored 'General case' 0 CA--C 1.54 0.56 0 C-N-CA 125.251 1.421 . . . . 0.0 113.312 177.315 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 38.6 mt-30 -85.69 -40.65 15.92 Favored 'General case' 0 N--CA 1.467 0.413 0 C-N-CA 124.765 1.226 . . . . 0.0 110.8 172.153 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 83.7 mt -60.84 -32.33 71.73 Favored 'General case' 0 CA--C 1.544 0.74 0 C-N-CA 123.491 0.716 . . . . 0.0 112.663 173.728 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 5.0 mm-40 -58.27 -29.49 65.84 Favored 'General case' 0 N--CA 1.473 0.682 0 C-N-CA 124.723 1.209 . . . . 0.0 113.437 171.85 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 83.9 m-20 -69.82 -34.55 73.83 Favored 'General case' 0 CA--C 1.54 0.576 0 O-C-N 120.889 -1.132 . . . . 0.0 111.527 176.773 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 38.6 m-85 -78.45 -27.96 46.53 Favored 'General case' 0 CA--C 1.541 0.62 0 C-N-CA 124.095 0.958 . . . . 0.0 112.367 174.795 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 41.0 t -63.84 -36.93 85.52 Favored 'General case' 0 CA--C 1.546 0.809 0 C-N-CA 123.884 0.874 . . . . 0.0 112.091 167.799 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 CA--C 1.541 0.599 0 C-N-CA 124.676 1.19 . . . . 0.0 112.044 176.543 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' B' B ' 1' ' ' PHE . . . . . . . . . . . . . 37.6 t80 . . . . . 0 CA--C 1.541 0.611 0 N-CA-C 111.994 0.368 . . . . 0.0 111.994 . . . . . . . . . 0 0 . 1 . 029 nuclear orig full ' B' B ' 2' ' ' VAL . . . . . . . . . . . . . 48.3 t -137.75 131.55 43.15 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.838 0 C-N-CA 125.497 1.519 . . . . 0.0 108.652 170.193 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' B' B ' 3' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -56.94 137.88 54.81 Favored 'General case' 0 N--CA 1.47 0.551 0 N-CA-C 113.232 0.826 . . . . 0.0 113.232 177.6 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' B' B ' 4' ' ' GLN . . . . . . . . . . . . . 7.7 pt20 -168.55 160.98 11.33 Favored 'General case' 0 N--CA 1.45 -0.449 0 C-N-CA 126.605 1.962 . . . . 0.0 108.934 -177.963 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' B' B ' 5' ' ' HIS . . . . . . . . . . . . . 10.5 m-70 -61.2 135.83 57.87 Favored 'General case' 0 CA--C 1.541 0.629 0 C-N-CA 124.701 1.201 . . . . 0.0 109.593 161.753 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 63.0 mt -139.46 130.03 25.78 Favored 'General case' 0 N--CA 1.471 0.593 0 C-N-CA 124.963 1.305 . . . . 0.0 110.572 -176.663 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' B' B ' 7' ' ' CYS . . . . . . . . . . . . . 3.0 t -149.53 161.28 42.45 Favored 'General case' 0 CA--C 1.54 0.583 0 C-N-CA 123.41 0.684 . . . . 0.0 112.454 178.765 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' B' B ' 8' ' ' GLY . . . . . . . . . . . . . . . 57.46 -138.34 48.23 Favored Glycine 0 CA--C 1.533 1.211 0 C-N-CA 124.112 0.863 . . . . 0.0 113.07 179.574 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' B' B ' 9' ' ' SER . . . . . . . . . . . . . 21.4 m -57.61 -32.73 67.51 Favored 'General case' 0 N--CA 1.472 0.636 0 C-N-CA 123.958 0.903 . . . . 0.0 113.296 179.447 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' B' B ' 10' ' ' HIS . . . . . . . . . . . . . 29.1 m-70 -67.34 -36.69 81.94 Favored 'General case' 0 N--CA 1.473 0.705 0 O-C-N 121.528 -0.732 . . . . 0.0 112.025 177.885 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 41.3 tp -68.5 -41.93 79.32 Favored 'General case' 0 N--CA 1.469 0.478 0 C-N-CA 123.58 0.752 . . . . 0.0 111.945 174.393 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 85.8 t -62.8 -45.32 99.15 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.794 0 C-N-CA 123.752 0.821 . . . . 0.0 110.888 175.794 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 37.8 mt-10 -64.82 -40.6 95.48 Favored 'General case' 0 CA--C 1.537 0.46 0 O-C-N 121.625 -0.672 . . . . 0.0 112.229 176.77 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -62.49 -39.96 95.18 Favored 'General case' 0 CA--C 1.542 0.669 0 CA-C-N 119.133 0.878 . . . . 0.0 112.826 178.112 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 3.5 pp -78.76 -27.06 44.63 Favored 'General case' 0 CA--C 1.54 0.559 0 O-C-N 121.805 -0.56 . . . . 0.0 112.476 178.04 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' B' B ' 16' ' ' TYR . . . . . . . . . . . . . 1.5 t80 -67.09 -40.99 87.07 Favored 'General case' 0 CA--C 1.537 0.472 0 C-N-CA 123.774 0.829 . . . . 0.0 111.708 169.204 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 39.2 mt -67.77 -44.25 77.9 Favored 'General case' 0 CA--C 1.535 0.393 0 O-C-N 121.413 -0.804 . . . . 0.0 112.127 -178.901 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' B' B ' 18' ' ' VAL . . . . . . . . . . . . . 4.8 p -72.59 -32.81 42.77 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.729 0 C-N-CA 122.834 0.453 . . . . 0.0 112.154 -179.441 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' B' B ' 19' ' ' CYS . . . . . . . . . . . . . 9.1 t -89.35 -40.66 12.62 Favored 'General case' 0 CA--C 1.539 0.556 0 C-N-CA 123.493 0.717 . . . . 0.0 112.897 -175.033 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . -80.39 -24.11 59.54 Favored Glycine 0 CA--C 1.533 1.21 0 C-N-CA 124.695 1.141 . . . . 0.0 114.284 176.885 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 2.7 mm-40 52.19 -164.96 0.06 Allowed 'General case' 0 CA--C 1.553 1.08 0 C-N-CA 126.067 1.747 . . . . 0.0 113.358 179.983 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' B' B ' 22' ' ' ARG . . . . . . . . . . . . . 13.1 ptm180 -64.31 -16.81 62.9 Favored 'General case' 0 N--CA 1.477 0.878 0 O-C-N 120.103 -1.623 . . . . 0.0 114.321 175.084 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . -80.04 -21.86 64.63 Favored Glycine 0 CA--C 1.533 1.192 0 C-N-CA 125.186 1.374 . . . . 0.0 115.432 -178.539 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' B' B ' 24' ' ' DHI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 029 nuclear orig full ' B' B ' 25' ' ' PHE . . . . . . . . . . . . . 26.9 m-85 -67.89 165.01 18.5 Favored 'General case' 0 CA--C 1.544 0.745 0 C-N-CA 124.634 1.174 . . . . 0.0 113.022 -177.139 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' B' B ' 26' ' ' TYR . . . . . . . . . . . . . 69.6 m-85 -63.39 144.19 57.18 Favored 'General case' 0 CA--C 1.539 0.549 0 C-N-CA 123.769 0.828 . . . . 0.0 112.673 -179.758 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' B' B ' 27' ' ' THR . . . . . . . . . . . . . 95.7 m -123.55 107.84 31.59 Favored Pre-proline 0 N--CA 1.475 0.8 0 C-N-CA 125.023 1.329 . . . . 0.0 110.178 178.238 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' B' B ' 28' ' ' PRO . . . . . . . . . . . . . 77.4 Cg_exo -60.62 146.37 97.22 Favored 'Trans proline' 0 CA--C 1.538 0.723 0 C-N-CA 123.43 2.753 . . . . 0.0 113.397 174.928 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 22.6 ptmt -151.05 159.24 44.65 Favored 'General case' 0 N--CA 1.475 0.811 0 C-N-CA 125.865 1.666 . . . . 0.0 112.222 -179.184 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' B' B ' 30' ' ' THR . . . . . . . . . . . . 0.324 13.3 t . . . . . 0 N--CA 1.485 1.281 0 C-N-CA 128.08 2.552 . . . . 0.0 114.273 -179.701 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.478 0.967 0 N-CA-C 113.6 0.963 . . . . 0.0 113.6 . . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 7.2 p -61.89 -41.79 92.13 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.751 0 C-N-CA 124.123 0.969 . . . . 0.0 112.635 178.479 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 41.2 mt-10 -68.83 -54.09 17.78 Favored 'General case' 0 C--N 1.331 -0.207 0 C-N-CA 123.938 0.895 . . . . 0.0 109.641 174.735 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 18.6 mm100 -54.36 -45.77 72.85 Favored 'General case' 0 CA--C 1.536 0.41 0 C-N-CA 124.384 1.074 . . . . 0.0 112.453 -175.874 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 75.1 m -87.51 -13.5 42.87 Favored 'General case' 0 CA--C 1.538 0.504 0 N-CA-C 114.944 1.461 . . . . 0.0 114.944 -177.516 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 8.3 t -98.37 -20.13 17.34 Favored 'General case' 0 CA--C 1.548 0.875 0 CA-C-N 119.585 1.084 . . . . 0.0 113.045 174.514 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 1.5 t -94.17 -26.95 16.47 Favored 'General case' 0 N--CA 1.478 0.973 0 C-N-CA 125.294 1.438 . . . . 0.0 113.347 174.186 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 67.8 m -135.83 162.55 32.48 Favored 'General case' 0 N--CA 1.473 0.699 0 C-N-CA 126.504 1.922 . . . . 0.0 110.956 176.238 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 53.4 mt -67.57 139.44 20.9 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.729 0 O-C-N 121.301 -0.875 . . . . 0.0 111.486 -179.279 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 57.6 m -125.46 111.51 15.18 Favored 'General case' 0 CA--C 1.535 0.393 0 C-N-CA 124.482 1.113 . . . . 0.0 110.918 168.084 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 3.7 t -72.88 169.99 15.68 Favored 'General case' 0 N--CA 1.468 0.431 0 C-N-CA 123.681 0.793 . . . . 0.0 111.305 167.0 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 2.3 pt? -57.67 -31.0 65.9 Favored 'General case' 0 CA--C 1.542 0.657 0 O-C-N 121.502 -0.749 . . . . 0.0 111.954 170.806 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 26.6 m-85 -68.47 -20.81 64.64 Favored 'General case' 0 N--CA 1.471 0.608 0 C-N-CA 124.28 1.032 . . . . 0.0 113.519 177.984 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 40.2 mt-30 -93.41 -48.32 6.46 Favored 'General case' 0 N--CA 1.468 0.443 0 C-N-CA 125.84 1.656 . . . . 0.0 111.093 174.724 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 95.7 mt -58.61 -35.26 72.18 Favored 'General case' 0 N--CA 1.47 0.552 0 C-N-CA 124.776 1.23 . . . . 0.0 113.6 -178.689 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -60.45 -33.1 72.06 Favored 'General case' 0 N--CA 1.471 0.608 0 N-CA-C 113.749 1.018 . . . . 0.0 113.749 -179.516 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 43.9 m-80 -61.71 -35.96 79.55 Favored 'General case' 0 N--CA 1.472 0.636 0 C-N-CA 123.346 0.658 . . . . 0.0 111.971 178.434 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 96.9 m-85 -75.05 -11.31 60.07 Favored 'General case' 0 CA--C 1.54 0.56 0 N-CA-C 114.581 1.326 . . . . 0.0 114.581 -176.994 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 10.1 t -73.8 -25.08 59.93 Favored 'General case' 0 CA--C 1.546 0.817 0 CA-C-N 118.763 0.71 . . . . 0.0 112.704 174.083 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 25.2 t-20 . . . . . 0 CA--C 1.543 0.691 0 C-N-CA 124.643 1.177 . . . . 0.0 112.264 179.69 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' B' B ' 1' ' ' PHE . . . . . . . . . . . . . 6.5 t80 . . . . . 0 CA--C 1.542 0.652 0 CA-C-O 120.9 0.381 . . . . 0.0 111.902 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' B' B ' 2' ' ' VAL . . . . . . . . . . . . . 7.5 p -145.71 145.83 19.98 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.801 0 C-N-CA 124.821 1.248 . . . . 0.0 111.103 169.336 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 3' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -62.7 130.57 45.56 Favored 'General case' 0 N--CA 1.451 -0.42 0 N-CA-C 113.98 1.104 . . . . 0.0 113.98 -172.647 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 4' ' ' GLN . . . . . . . . . . . . . 7.3 pt20 -162.78 153.11 16.45 Favored 'General case' 0 CA--C 1.537 0.444 0 C-N-CA 125.022 1.329 . . . . 0.0 111.045 -179.539 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 5' ' ' HIS . . . . . . . . . . . . . 31.9 m-70 -71.57 145.03 49.32 Favored 'General case' 0 CA--C 1.541 0.606 0 C-N-CA 124.629 1.171 . . . . 0.0 109.992 161.413 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 70.4 mt -139.71 139.03 36.46 Favored 'General case' 0 N--CA 1.47 0.565 0 C-N-CA 125.656 1.582 . . . . 0.0 111.397 -172.741 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 7' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -136.2 154.17 51.02 Favored 'General case' 0 CA--C 1.542 0.668 0 C-N-CA 124.356 1.062 . . . . 0.0 111.469 -178.272 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 8' ' ' GLY . . . . . . . . . . . . . . . 49.37 -123.89 13.11 Favored Glycine 0 CA--C 1.537 1.457 0 C-N-CA 124.576 1.084 . . . . 0.0 115.37 168.251 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 9' ' ' SER . . . . . . . . . . . . . 35.2 p -62.8 -38.28 90.07 Favored 'General case' 0 N--CA 1.471 0.589 0 C-N-CA 124.866 1.266 . . . . 0.0 113.544 179.138 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 10' ' ' HIS . . . . . . . . . . . . . 32.1 m170 -61.6 -40.23 94.05 Favored 'General case' 0 N--CA 1.471 0.613 0 O-C-N 121.408 -0.807 . . . . 0.0 111.451 174.929 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 58.9 tp -70.45 -46.82 63.1 Favored 'General case' 0 CA--C 1.534 0.358 0 C-N-CA 124.367 1.067 . . . . 0.0 112.65 178.187 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 1.7 p -67.49 -36.51 76.58 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.719 0 CA-C-N 118.094 0.406 . . . . 0.0 111.996 -176.362 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 42.0 mt-10 -68.52 -41.18 80.31 Favored 'General case' 0 CA--C 1.536 0.438 0 O-C-N 121.691 -0.631 . . . . 0.0 112.127 172.471 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -63.19 -37.24 86.44 Favored 'General case' 0 CA--C 1.545 0.772 0 O-C-N 121.131 -0.981 . . . . 0.0 113.145 -179.291 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 4.2 pp -79.77 -28.64 40.33 Favored 'General case' 0 N--CA 1.472 0.667 0 O-C-N 121.608 -0.682 . . . . 0.0 112.671 176.914 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 16' ' ' TYR . . . . . . . . . . . . . 2.5 t80 -65.7 -38.4 89.14 Favored 'General case' 0 CA--C 1.541 0.604 0 C-N-CA 123.574 0.749 . . . . 0.0 111.636 169.259 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 26.6 mt -71.8 -41.28 68.47 Favored 'General case' 0 N--CA 1.467 0.406 0 C-N-CA 123.978 0.911 . . . . 0.0 112.291 -175.249 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 18' ' ' VAL . . . . . . . . . . . . . 10.8 p -71.54 -34.48 53.02 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.689 0 C-N-CA 122.904 0.481 . . . . 0.0 111.821 175.112 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 19' ' ' CYS . . . . . . . . . . . . . 16.3 t -77.26 -34.91 55.65 Favored 'General case' 0 CA--C 1.541 0.609 0 N-CA-C 113.404 0.89 . . . . 0.0 113.404 -179.607 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.538 1.492 0 C-N-CA 124.487 1.042 . . . . 0.0 114.184 -174.972 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 18.3 tt . . . . . 0 N--CA 1.475 0.806 0 N-CA-C 114.002 1.112 . . . . 0.0 114.002 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 7.5 p -58.52 -46.24 89.91 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.135 0 C-N-CA 124.351 1.06 . . . . 0.0 112.278 -179.825 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 24.4 pt-20 -76.03 6.42 5.28 Favored 'General case' 0 N--CA 1.475 0.807 0 C-N-CA 127.052 2.141 . . . . 0.0 114.666 179.257 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 29.0 mm-40 -122.49 -38.85 2.61 Favored 'General case' 0 N--CA 1.468 0.436 0 C-N-CA 124.983 1.313 . . . . 0.0 112.116 172.855 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 82.5 m -99.97 -36.26 9.44 Favored 'General case' 0 CA--C 1.535 0.397 0 C-N-CA 124.439 1.096 . . . . 0.0 113.095 -173.201 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 79.5 m -82.35 -19.05 40.03 Favored 'General case' 0 N--CA 1.476 0.84 0 CA-C-N 119.28 0.945 . . . . 0.0 112.18 177.168 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 39.3 p -93.47 -36.17 12.59 Favored 'General case' 0 N--CA 1.473 0.7 0 C-N-CA 126.452 1.901 . . . . 0.0 113.315 -177.36 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 74.5 m -150.24 -177.25 5.83 Favored 'General case' 0 N--CA 1.472 0.653 0 C-N-CA 127.03 2.132 . . . . 0.0 110.728 -171.21 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 17.7 mt -70.3 132.23 33.42 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.568 0 O-C-N 120.887 -1.133 . . . . 0.0 109.369 162.228 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 31.6 p -113.65 147.69 37.67 Favored 'General case' 0 CA--C 1.537 0.475 0 C-N-CA 124.913 1.285 . . . . 0.0 110.789 168.675 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 23.7 m -88.19 162.29 16.77 Favored 'General case' 0 N--CA 1.47 0.545 0 C-N-CA 123.457 0.703 . . . . 0.0 112.348 -170.943 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 7.6 mp -49.53 -48.21 48.39 Favored 'General case' 0 N--CA 1.47 0.553 0 C-N-CA 125.142 1.377 . . . . 0.0 111.551 175.795 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 33.9 m-85 -61.79 -38.64 88.86 Favored 'General case' 0 CA--C 1.536 0.427 0 C-N-CA 124.997 1.319 . . . . 0.0 112.282 -178.104 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 46.3 mt-30 -69.62 -47.17 64.36 Favored 'General case' 0 N--CA 1.467 0.409 0 O-C-N 121.641 -0.662 . . . . 0.0 110.484 176.706 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 63.5 mt -58.94 -38.52 79.19 Favored 'General case' 0 CA--C 1.544 0.718 0 C-N-CA 123.239 0.615 . . . . 0.0 112.55 176.347 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 37.3 mt-10 -66.06 -33.99 77.06 Favored 'General case' 0 CA--C 1.544 0.715 0 C-N-CA 123.597 0.759 . . . . 0.0 112.899 174.317 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 9.7 m-80 -62.31 -25.52 67.92 Favored 'General case' 0 N--CA 1.474 0.768 0 O-C-N 120.747 -1.22 . . . . 0.0 112.555 173.679 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 44.8 m-85 -84.16 -14.41 50.28 Favored 'General case' 0 CA--C 1.54 0.584 0 N-CA-C 113.808 1.04 . . . . 0.0 113.808 178.219 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 6.2 p -90.7 -36.26 14.44 Favored 'General case' 0 CA--C 1.543 0.687 0 CA-C-N 119.182 0.901 . . . . 0.0 112.431 165.984 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 49.7 t-20 . . . . . 0 CA--C 1.541 0.629 0 C-N-CA 125.413 1.485 . . . . 0.0 111.542 179.711 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' B' B ' 1' ' ' PHE . . . . . . . . . . . . . 53.7 t80 . . . . . 0 CA--C 1.542 0.658 0 N-CA-C 112.137 0.421 . . . . 0.0 112.137 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' B' B ' 2' ' ' VAL . . . . . . . . . . . . . 48.1 t -135.23 126.66 46.09 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.896 0 C-N-CA 125.301 1.441 . . . . 0.0 109.352 174.293 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 3' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -63.98 146.44 54.09 Favored 'General case' 0 N--CA 1.467 0.401 0 N-CA-C 113.898 1.073 . . . . 0.0 113.898 179.64 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 4' ' ' GLN . . . . . . . . . . . . . 6.1 pt20 -165.91 165.22 18.32 Favored 'General case' 0 CA--C 1.539 0.536 0 C-N-CA 128.468 2.707 . . . . 0.0 107.467 -177.254 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 5' ' ' HIS . . . . . . . . . . . . . 3.6 m80 -62.38 131.81 50.51 Favored 'General case' 0 N--CA 1.47 0.569 0 C-N-CA 124.848 1.259 . . . . 0.0 109.403 167.714 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 34.6 mt -144.65 132.26 21.03 Favored 'General case' 0 N--CA 1.469 0.522 0 C-N-CA 125.249 1.42 . . . . 0.0 110.681 -168.114 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 7' ' ' CYS . . . . . . . . . . . . . 1.5 t -148.18 163.67 36.27 Favored 'General case' 0 CA--C 1.539 0.557 0 N-CA-C 113.062 0.764 . . . . 0.0 113.062 177.155 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 8' ' ' GLY . . . . . . . . . . . . . . . 58.19 -138.1 49.21 Favored Glycine 0 CA--C 1.534 1.256 0 C-N-CA 124.184 0.897 . . . . 0.0 113.389 178.491 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 9' ' ' SER . . . . . . . . . . . . . 42.3 p -59.12 -32.27 69.69 Favored 'General case' 0 N--CA 1.472 0.655 0 C-N-CA 124.046 0.938 . . . . 0.0 113.516 177.796 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 10' ' ' HIS . . . . . . . . . . . . . 25.2 m-70 -67.14 -35.86 80.62 Favored 'General case' 0 N--CA 1.469 0.513 0 O-C-N 121.552 -0.718 . . . . 0.0 111.675 177.842 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 2.4 tm? -71.83 -40.76 68.85 Favored 'General case' 0 CA--C 1.539 0.534 0 C-N-CA 124.896 1.278 . . . . 0.0 112.261 175.792 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 84.1 t -62.97 -43.35 98.99 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.943 0 C-N-CA 123.295 0.638 . . . . 0.0 111.354 174.162 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 38.8 mt-10 -68.04 -41.54 81.92 Favored 'General case' 0 CA--C 1.538 0.512 0 O-C-N 121.536 -0.728 . . . . 0.0 112.276 174.108 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -61.96 -41.76 98.35 Favored 'General case' 0 CA--C 1.537 0.449 0 O-C-N 121.149 -0.969 . . . . 0.0 113.162 -179.338 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 15' ' ' LEU . . . . . 0.404 ' HA ' HG12 ' B' ' 18' ' ' VAL . 2.6 pp -71.72 -34.38 69.53 Favored 'General case' 0 N--CA 1.468 0.458 0 CA-C-N 118.79 0.723 . . . . 0.0 111.426 178.974 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 16' ' ' TYR . . . . . . . . . . . . . 1.5 t80 -62.75 -42.5 99.71 Favored 'General case' 0 CA--C 1.541 0.61 0 C-N-CA 123.939 0.895 . . . . 0.0 111.435 171.669 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 43.6 mt -71.51 -44.56 64.43 Favored 'General case' 0 N--CA 1.469 0.479 0 C-N-CA 124.563 1.145 . . . . 0.0 112.703 -177.54 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 18' ' ' VAL . . . . . 0.404 HG12 ' HA ' ' B' ' 15' ' ' LEU . 9.3 p -73.45 -29.32 27.12 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.831 0 C-N-CA 123.038 0.535 . . . . 0.0 112.183 -179.104 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 19' ' ' CYS . . . . . . . . . . . . . 35.8 t -75.86 -34.1 60.04 Favored 'General case' 0 CA--C 1.539 0.535 0 C-N-CA 124.085 0.954 . . . . 0.0 112.544 171.291 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.084 0 N-CA-C 111.366 -0.694 . . . . 0.0 111.366 -166.275 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 1.1 tp . . . . . 0 N--CA 1.481 1.095 0 N-CA-C 113.402 0.89 . . . . 0.0 113.402 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 18.5 t -62.48 -46.68 95.81 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.295 0 O-C-N 120.701 -1.249 . . . . 0.0 110.687 178.993 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 17.7 pt-20 -69.16 5.77 1.14 Allowed 'General case' 0 CA--C 1.549 0.916 0 C-N-CA 126.201 1.8 . . . . 0.0 115.346 175.714 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 24.5 mm-40 -127.56 -31.05 2.52 Favored 'General case' 0 N--CA 1.473 0.721 0 C-N-CA 124.777 1.231 . . . . 0.0 113.296 174.691 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 67.4 m -110.27 -19.65 12.92 Favored 'General case' 0 CA--C 1.543 0.693 0 N-CA-C 115.698 1.74 . . . . 0.0 115.698 179.31 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 48.2 t -103.96 -37.51 7.36 Favored 'General case' 0 N--CA 1.476 0.845 0 CA-C-N 119.571 1.078 . . . . 0.0 113.165 -179.535 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 4.8 t -74.8 -24.6 58.67 Favored 'General case' 0 N--CA 1.481 1.114 0 O-C-N 121.552 -0.717 . . . . 0.0 112.749 176.099 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 8.7 t -151.22 168.82 23.55 Favored 'General case' 0 CA--C 1.538 0.498 0 C-N-CA 126.463 1.905 . . . . 0.0 110.323 172.753 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 47.5 mt -67.7 142.71 16.15 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.741 0 C-N-CA 124.512 1.125 . . . . 0.0 111.663 -177.867 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 9.4 p -133.1 169.86 16.24 Favored 'General case' 0 CA--C 1.546 0.791 0 C-N-CA 124.925 1.29 . . . . 0.0 111.863 167.311 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 34.3 m -113.58 159.64 19.4 Favored 'General case' 0 N--CA 1.474 0.769 0 C-N-CA 125.46 1.504 . . . . 0.0 111.418 -178.388 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 2.6 pt? -57.68 -30.92 65.86 Favored 'General case' 0 CA--C 1.542 0.657 0 N-CA-C 113.559 0.948 . . . . 0.0 113.559 177.205 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 25.5 m-85 -64.83 -25.3 67.85 Favored 'General case' 0 CA--C 1.539 0.55 0 C-N-CA 124.71 1.204 . . . . 0.0 113.292 175.197 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 19.4 mm100 -80.14 -46.28 16.7 Favored 'General case' 0 N--CA 1.467 0.41 0 C-N-CA 123.982 0.913 . . . . 0.0 110.655 171.11 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 81.4 mt -53.76 -33.45 55.84 Favored 'General case' 0 N--CA 1.474 0.77 0 C-N-CA 124.933 1.293 . . . . 0.0 113.758 179.65 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 39.5 mt-10 -57.73 -22.48 46.8 Favored 'General case' 0 N--CA 1.478 0.973 0 N-CA-C 114.436 1.273 . . . . 0.0 114.436 175.649 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 44.8 m-80 -81.18 -33.56 32.94 Favored 'General case' 0 N--CA 1.47 0.556 0 CA-C-N 119.156 0.889 . . . . 0.0 112.111 177.643 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 94.0 m-85 -75.27 -15.99 60.48 Favored 'General case' 0 N--CA 1.472 0.653 0 C-N-CA 124.332 1.053 . . . . 0.0 113.57 -176.559 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 32.9 t -65.76 -25.34 67.22 Favored 'General case' 0 CA--C 1.548 0.868 0 C-N-CA 124.054 0.942 . . . . 0.0 112.552 166.518 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 15.8 p30 . . . . . 0 CA--C 1.54 0.575 0 C-N-CA 126.189 1.796 . . . . 0.0 111.632 -171.486 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' B' B ' 1' ' ' PHE . . . . . . . . . . . . . 34.0 t80 . . . . . 0 CA--C 1.54 0.562 0 N-CA-C 111.89 0.33 . . . . 0.0 111.89 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' B' B ' 2' ' ' VAL . . . . . . . . . . . . . 17.7 m -135.89 136.0 50.24 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.744 0 C-N-CA 125.082 1.353 . . . . 0.0 110.216 167.475 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 3' ' ' ASN . . . . . . . . . . . . . 10.9 m-20 -63.19 143.02 58.15 Favored 'General case' 0 CA--C 1.535 0.385 0 CA-C-O 121.794 0.806 . . . . 0.0 112.387 -178.85 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 4' ' ' GLN . . . . . . . . . . . . . 6.9 pt20 -167.87 163.53 13.95 Favored 'General case' 0 CA--C 1.537 0.457 0 C-N-CA 126.627 1.971 . . . . 0.0 109.089 -177.827 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 5' ' ' HIS . . . . . . . . . . . . . 30.4 m-70 -72.62 72.53 1.03 Allowed 'General case' 0 CA--C 1.545 0.769 0 C-N-CA 125.206 1.402 . . . . 0.0 111.369 170.66 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 70.9 mt -62.24 135.99 57.73 Favored 'General case' 0 N--CA 1.47 0.56 0 C-N-CA 124.942 1.297 . . . . 0.0 111.447 178.295 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 7' ' ' CYS . . . . . . . . . . . . . 0.9 OUTLIER -148.41 157.69 43.63 Favored 'General case' 0 N--CA 1.47 0.573 0 N-CA-C 113.235 0.828 . . . . 0.0 113.235 -177.599 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 8' ' ' GLY . . . . . . . . . . . . . . . 54.16 -133.95 45.13 Favored Glycine 0 CA--C 1.533 1.213 0 C-N-CA 124.23 0.919 . . . . 0.0 113.584 174.863 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 9' ' ' SER . . . . . . . . . . . . . 25.4 m -57.14 -36.67 70.99 Favored 'General case' 0 N--CA 1.473 0.683 0 C-N-CA 123.891 0.876 . . . . 0.0 112.97 178.152 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 10' ' ' HIS . . . . . . . . . . . . . 31.2 m170 -64.97 -34.52 78.62 Favored 'General case' 0 N--CA 1.472 0.668 0 C-N-CA 123.539 0.736 . . . . 0.0 112.464 178.548 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 31.6 tp -71.03 -40.08 71.95 Favored 'General case' 0 CA--C 1.539 0.522 0 C-N-CA 124.08 0.952 . . . . 0.0 111.945 176.161 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 77.6 t -66.06 -43.29 92.47 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.746 0 C-N-CA 123.711 0.804 . . . . 0.0 111.135 174.176 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 44.7 mt-10 -64.06 -42.45 97.0 Favored 'General case' 0 N--CA 1.47 0.546 0 O-C-N 121.541 -0.725 . . . . 0.0 112.106 175.814 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -63.4 -39.27 94.04 Favored 'General case' 0 CA--C 1.543 0.676 0 O-C-N 121.315 -0.865 . . . . 0.0 113.136 -179.09 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 3.9 pp -77.17 -30.62 55.03 Favored 'General case' 0 N--CA 1.47 0.53 0 O-C-N 121.726 -0.609 . . . . 0.0 112.099 177.138 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 16' ' ' TYR . . . . . . . . . . . . . 1.8 t80 -63.93 -41.86 97.53 Favored 'General case' 0 CA--C 1.539 0.553 0 C-N-CA 123.544 0.738 . . . . 0.0 111.563 170.333 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 36.2 mt -69.02 -44.1 73.44 Favored 'General case' 0 N--CA 1.467 0.375 0 C-N-CA 124.066 0.946 . . . . 0.0 112.308 -177.373 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 18' ' ' VAL . . . . . . . . . . . . . 5.6 p -72.8 -30.48 33.1 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.75 0 N-CA-C 112.307 0.484 . . . . 0.0 112.307 179.61 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 19' ' ' CYS . . . . . . . . . . . . . 9.2 t -81.66 -29.04 33.27 Favored 'General case' 0 CA--C 1.542 0.646 0 N-CA-C 113.312 0.856 . . . . 0.0 113.312 177.405 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.539 1.543 0 C-N-CA 124.996 1.284 . . . . 0.0 114.208 -173.064 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 9.8 tt . . . . . 0 N--CA 1.48 1.06 0 N-CA-C 114.393 1.257 . . . . 0.0 114.393 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 15.7 t -57.97 -51.37 71.42 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.923 0 C-N-CA 123.915 0.886 . . . . 0.0 111.403 -165.884 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 12.4 pt-20 -92.36 19.63 6.93 Favored 'General case' 0 N--CA 1.477 0.878 0 C-N-CA 125.438 1.495 . . . . 0.0 113.628 178.13 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 20.7 mm-40 -120.13 -18.73 8.0 Favored 'General case' 0 N--CA 1.472 0.634 0 C-N-CA 124.887 1.275 . . . . 0.0 112.745 170.017 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 56.1 m -115.95 -29.36 6.37 Favored 'General case' 0 CA--C 1.54 0.57 0 C-N-CA 126.707 2.003 . . . . 0.0 112.357 175.162 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 2.3 t -100.95 170.82 8.03 Favored 'General case' 0 CA--C 1.542 0.643 0 N-CA-C 107.831 -1.174 . . . . 0.0 107.831 155.144 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER 60.65 -33.08 0.07 Allowed 'General case' 0 N--CA 1.484 1.24 0 C-N-CA 127.812 2.445 . . . . 0.0 115.446 -163.644 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 22.7 m -147.49 160.87 42.12 Favored 'General case' 0 N--CA 1.469 0.521 0 C-N-CA 127.396 2.278 . . . . 0.0 111.057 171.807 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 68.4 mt -70.59 145.22 12.94 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.796 0 C-N-CA 125.276 1.43 . . . . 0.0 111.887 -178.337 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 15.3 p -127.67 174.56 8.99 Favored 'General case' 0 CA--C 1.544 0.724 0 C-N-CA 124.959 1.303 . . . . 0.0 112.442 166.896 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 66.9 m -123.34 166.37 15.43 Favored 'General case' 0 N--CA 1.472 0.665 0 C-N-CA 125.913 1.685 . . . . 0.0 112.022 -176.987 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 2.4 pt? -52.87 -33.71 51.19 Favored 'General case' 0 N--CA 1.471 0.619 0 C-N-CA 123.916 0.887 . . . . 0.0 113.331 174.116 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 28.6 m-85 -60.02 -26.91 66.46 Favored 'General case' 0 CA--C 1.542 0.644 0 C-N-CA 124.992 1.317 . . . . 0.0 113.561 177.266 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 29.6 mm100 -88.98 -46.75 8.64 Favored 'General case' 0 N--CA 1.468 0.46 0 C-N-CA 124.489 1.116 . . . . 0.0 111.41 171.703 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 52.4 mt -61.53 -34.93 76.36 Favored 'General case' 0 CA--C 1.544 0.736 0 C-N-CA 123.698 0.799 . . . . 0.0 113.061 -176.857 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 36.4 mt-10 -69.82 -10.75 59.61 Favored 'General case' 0 CA--C 1.547 0.828 0 C-N-CA 125.166 1.386 . . . . 0.0 114.312 174.112 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 80.3 m-20 -92.83 -34.65 13.76 Favored 'General case' 0 CA--C 1.543 0.682 0 C-N-CA 124.139 0.976 . . . . 0.0 112.397 170.711 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 33.0 m-85 -74.21 -24.99 59.41 Favored 'General case' 0 N--CA 1.474 0.735 0 N-CA-C 113.602 0.964 . . . . 0.0 113.602 -174.555 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 24.9 p -68.73 -26.43 65.25 Favored 'General case' 0 CA--C 1.544 0.719 0 C-N-CA 124.619 1.168 . . . . 0.0 114.09 173.996 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 CA--C 1.545 0.779 0 C-N-CA 127.715 2.406 . . . . 0.0 113.723 -178.562 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 1' ' ' PHE . . . . . . . . . . . . . 70.0 t80 . . . . . 0 CA--C 1.543 0.689 0 N-CA-C 112.352 0.501 . . . . 0.0 112.352 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' B' B ' 2' ' ' VAL . . . . . . . . . . . . . 50.8 t -135.52 128.35 47.6 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.84 0 C-N-CA 125.564 1.546 . . . . 0.0 108.924 172.591 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 3' ' ' ASN . . . . . . . . . . . . . 26.0 m120 -60.05 139.55 57.39 Favored 'General case' 0 CA--C 1.535 0.39 0 CA-C-O 121.71 0.767 . . . . 0.0 112.878 -178.801 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 4' ' ' GLN . . . . . . . . . . . . . 6.5 pt20 -167.34 157.99 11.37 Favored 'General case' 0 CA--C 1.536 0.408 0 C-N-CA 126.668 1.987 . . . . 0.0 109.042 179.428 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 5' ' ' HIS . . . . . . . . . . . . . 39.4 m-70 -67.5 137.48 55.84 Favored 'General case' 0 N--CA 1.468 0.453 0 C-N-CA 123.061 0.545 . . . . 0.0 110.011 163.859 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 71.9 mt -133.86 124.61 26.77 Favored 'General case' 0 N--CA 1.465 0.324 0 C-N-CA 125.697 1.599 . . . . 0.0 109.823 -176.16 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 7' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -140.8 153.47 45.84 Favored 'General case' 0 CA--C 1.54 0.592 0 C-N-CA 124.015 0.926 . . . . 0.0 111.924 -169.972 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 8' ' ' GLY . . . . . . . . . . . . . . . 52.63 -132.16 39.7 Favored Glycine 0 CA--C 1.536 1.377 0 C-N-CA 124.039 0.828 . . . . 0.0 113.907 174.65 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 9' ' ' SER . . . . . . . . . . . . . 25.4 m -61.12 -33.06 72.79 Favored 'General case' 0 N--CA 1.474 0.744 0 O-C-N 121.74 -0.859 . . . . 0.0 113.224 177.896 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 10' ' ' HIS . . . . . . . . . . . . . 30.5 m170 -65.94 -32.99 74.8 Favored 'General case' 0 N--CA 1.473 0.706 0 C-N-CA 123.661 0.785 . . . . 0.0 112.334 178.168 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 54.2 tp -67.5 -44.44 78.47 Favored 'General case' 0 CA--C 1.537 0.466 0 C-N-CA 124.157 0.983 . . . . 0.0 111.917 174.452 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 63.2 t -65.19 -41.79 92.55 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.724 0 C-N-CA 124.028 0.931 . . . . 0.0 110.929 177.511 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 21.9 mm-40 -65.75 -45.61 81.94 Favored 'General case' 0 N--CA 1.468 0.435 0 O-C-N 121.64 -0.663 . . . . 0.0 111.991 174.834 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -63.14 -40.05 96.46 Favored 'General case' 0 CA--C 1.538 0.512 0 O-C-N 121.359 -0.838 . . . . 0.0 113.095 -176.794 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 3.8 pp -73.18 -34.66 66.12 Favored 'General case' 0 N--CA 1.469 0.509 0 CA-C-N 118.768 0.713 . . . . 0.0 111.791 177.758 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 16' ' ' TYR . . . . . . . . . . . . . 0.6 OUTLIER -61.75 -46.61 88.85 Favored 'General case' 0 CA--C 1.536 0.411 0 C-N-CA 123.194 0.598 . . . . 0.0 110.839 171.867 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 43.9 mt -68.05 -41.35 82.16 Favored 'General case' 0 CA--C 1.536 0.407 0 C-N-CA 124.125 0.97 . . . . 0.0 112.738 -175.74 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 18' ' ' VAL . . . . . . . . . . . . . 4.3 p -77.96 -28.12 15.23 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.744 0 N-CA-C 112.842 0.682 . . . . 0.0 112.842 -177.362 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 19' ' ' CYS . . . . . . . . . . . . . 47.2 t -99.11 -33.81 10.64 Favored 'General case' 0 CA--C 1.541 0.606 0 N-CA-C 114.52 1.304 . . . . 0.0 114.52 -176.198 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.539 1.555 0 C-N-CA 124.655 1.121 . . . . 0.0 114.19 -170.785 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 15.0 tt . . . . . 0 N--CA 1.482 1.172 0 N-CA-C 114.078 1.14 . . . . 0.0 114.078 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 3.9 p -56.17 -38.0 52.16 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.932 0 C-N-CA 124.302 1.041 . . . . 0.0 112.35 175.365 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 34.0 mt-10 -78.32 -2.94 40.54 Favored 'General case' 0 N--CA 1.476 0.849 0 C-N-CA 125.473 1.509 . . . . 0.0 114.182 177.051 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 16.8 tp60 -105.69 -30.11 9.66 Favored 'General case' 0 CA--C 1.54 0.594 0 C-N-CA 125.171 1.388 . . . . 0.0 112.492 170.351 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -126.51 -12.16 6.16 Favored 'General case' 0 CA--C 1.547 0.846 0 N-CA-C 116.538 2.051 . . . . 0.0 116.538 -167.465 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 48.5 t -102.04 -30.28 11.28 Favored 'General case' 0 N--CA 1.476 0.863 0 CA-C-N 119.766 1.166 . . . . 0.0 112.13 172.575 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 30.8 p -70.81 -38.6 73.31 Favored 'General case' 0 N--CA 1.474 0.765 0 C-N-CA 125.932 1.693 . . . . 0.0 112.386 175.124 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 75.6 m -146.46 168.24 21.66 Favored 'General case' 0 N--CA 1.468 0.425 0 C-N-CA 128.335 2.654 . . . . 0.0 109.746 177.384 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 71.6 mt -61.21 140.75 18.4 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.774 0 C-N-CA 123.529 0.732 . . . . 0.0 110.396 172.149 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 4.9 p -121.89 153.65 38.15 Favored 'General case' 0 CA--C 1.54 0.565 0 C-N-CA 123.627 0.771 . . . . 0.0 112.059 164.37 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 50.4 m -92.59 156.62 16.99 Favored 'General case' 0 N--CA 1.47 0.566 0 C-N-CA 124.44 1.096 . . . . 0.0 110.581 172.264 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 1.8 pp -58.52 -31.85 68.29 Favored 'General case' 0 N--CA 1.471 0.587 0 O-C-N 121.526 -0.734 . . . . 0.0 112.627 -178.3 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 41.4 m-85 -65.57 -24.39 67.08 Favored 'General case' 0 CA--C 1.542 0.668 0 C-N-CA 124.848 1.259 . . . . 0.0 113.729 178.094 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 39.2 mt-30 -85.49 -41.63 15.17 Favored 'General case' 0 N--CA 1.47 0.565 0 C-N-CA 125.111 1.365 . . . . 0.0 111.022 171.398 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . 0.258 0.1 OUTLIER -67.67 -26.17 66.07 Favored 'General case' 0 CA--C 1.557 1.22 0 C-N-CA 124.088 0.955 . . . . 0.0 111.501 178.697 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 31.8 mt-10 -64.83 -20.85 66.62 Favored 'General case' 0 N--CA 1.474 0.731 0 O-C-N 120.125 -1.609 . . . . 0.0 114.329 167.84 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 89.7 m-20 -63.24 -27.99 69.73 Favored 'General case' 0 N--CA 1.473 0.719 0 CA-C-N 120.68 1.582 . . . . 0.0 111.514 175.32 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 40.7 m-85 -80.78 -18.05 48.9 Favored 'General case' 0 CA--C 1.543 0.685 0 C-N-CA 124.258 1.023 . . . . 0.0 113.694 174.425 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 45.9 t -77.63 -44.68 27.44 Favored 'General case' 0 CA--C 1.544 0.741 0 C-N-CA 124.354 1.061 . . . . 0.0 111.411 166.366 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 51.6 t-20 . . . . . 0 CA--C 1.542 0.639 0 C-N-CA 125.218 1.407 . . . . 0.0 111.352 178.923 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' B' B ' 1' ' ' PHE . . . . . . . . . . . . . 24.2 t80 . . . . . 0 CA--C 1.541 0.609 0 CA-C-O 120.883 0.373 . . . . 0.0 111.997 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' B' B ' 2' ' ' VAL . . . . . . . . . . . . . 7.3 p -148.12 140.63 18.56 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.784 0 C-N-CA 124.686 1.194 . . . . 0.0 110.538 166.7 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 3' ' ' ASN . . . . . . . . . . . . . 25.2 m-20 -68.66 142.56 55.04 Favored 'General case' 0 N--CA 1.449 -0.486 0 CA-C-O 122.186 0.994 . . . . 0.0 113.344 -172.108 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 4' ' ' GLN . . . . . . . . . . . . . 5.9 pt20 -167.88 170.25 10.82 Favored 'General case' 0 CA--C 1.539 0.52 0 C-N-CA 127.653 2.381 . . . . 0.0 107.956 179.812 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 5' ' ' HIS . . . . . . . . . . . . . 15.9 m-70 -76.35 129.7 36.99 Favored 'General case' 0 CA--C 1.541 0.624 0 C-N-CA 124.052 0.941 . . . . 0.0 109.862 164.224 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 3.2 mm? -116.63 141.78 47.75 Favored 'General case' 0 N--CA 1.468 0.433 0 C-N-CA 125.392 1.477 . . . . 0.0 110.523 173.081 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 7' ' ' CYS . . . . . . . . . . . . . 0.9 OUTLIER -150.12 155.79 40.47 Favored 'General case' 0 CA--C 1.54 0.578 0 N-CA-C 112.952 0.723 . . . . 0.0 112.952 -177.234 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 8' ' ' GLY . . . . . . . . . . . . . . . 54.22 -133.59 45.59 Favored Glycine 0 CA--C 1.534 1.243 0 C-N-CA 124.254 0.931 . . . . 0.0 113.636 174.781 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 9' ' ' SER . . . . . . . . . . . . . 19.4 m -56.87 -35.9 69.45 Favored 'General case' 0 N--CA 1.473 0.681 0 C-N-CA 123.977 0.911 . . . . 0.0 112.929 177.595 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 10' ' ' HIS . . . . . . . . . . . . . 28.9 m170 -67.01 -28.8 68.54 Favored 'General case' 0 N--CA 1.472 0.662 0 C-N-CA 123.467 0.707 . . . . 0.0 112.627 177.757 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 34.3 tp -77.0 -36.8 56.14 Favored 'General case' 0 CA--C 1.538 0.503 0 C-N-CA 124.073 0.949 . . . . 0.0 112.163 175.066 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 79.6 t -64.46 -41.89 93.63 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.795 0 C-N-CA 123.559 0.744 . . . . 0.0 110.506 171.281 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 45.2 mt-10 -64.37 -42.33 96.24 Favored 'General case' 0 N--CA 1.469 0.496 0 O-C-N 121.582 -0.699 . . . . 0.0 112.015 173.132 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -61.18 -38.82 87.86 Favored 'General case' 0 CA--C 1.541 0.617 0 CA-C-N 119.262 0.937 . . . . 0.0 112.939 178.385 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 15' ' ' LEU . . . . . . . . . . . . 0.252 2.8 pp -78.9 -30.0 44.64 Favored 'General case' 0 N--CA 1.467 0.418 0 N-CA-C 112.704 0.631 . . . . 0.0 112.704 178.409 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 16' ' ' TYR . . . . . . . . . . . . . 1.2 t80 -61.15 -46.44 90.52 Favored 'General case' 0 CA--C 1.539 0.538 0 C-N-CA 123.143 0.577 . . . . 0.0 111.059 166.484 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 42.3 mt -68.39 -42.55 78.92 Favored 'General case' 0 CA--C 1.536 0.415 0 C-N-CA 124.029 0.932 . . . . 0.0 112.67 -175.379 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 18' ' ' VAL . . . . . . . . . . . . . 1.9 p -73.73 -30.43 28.9 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.842 0 N-CA-C 112.552 0.575 . . . . 0.0 112.552 -179.622 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 19' ' ' CYS . . . . . . . . . . . . . 7.8 t -93.04 -30.76 15.14 Favored 'General case' 0 CA--C 1.542 0.64 0 C-N-CA 124.562 1.145 . . . . 0.0 113.883 -175.209 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.537 1.466 0 C-N-CA 125.151 1.358 . . . . 0.0 115.065 -175.927 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 11.7 tt . . . . . 0 N--CA 1.482 1.162 0 N-CA-C 114.076 1.139 . . . . 0.0 114.076 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 7.3 p -57.44 -36.52 53.51 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.932 0 C-N-CA 124.206 1.002 . . . . 0.0 112.258 178.62 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 34.5 mt-10 -75.83 0.1 19.27 Favored 'General case' 0 N--CA 1.475 0.776 0 C-N-CA 126.625 1.97 . . . . 0.0 114.363 177.798 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 18.9 tp60 -114.73 -36.19 4.6 Favored 'General case' 0 CA--C 1.54 0.575 0 C-N-CA 124.981 1.312 . . . . 0.0 112.189 166.289 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 73.4 m -108.01 -16.3 14.32 Favored 'General case' 0 CA--C 1.538 0.493 0 N-CA-C 115.726 1.75 . . . . 0.0 115.726 -167.429 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 37.3 t -100.13 -24.74 14.5 Favored 'General case' 0 N--CA 1.475 0.796 0 CA-C-N 119.8 1.182 . . . . 0.0 111.682 169.112 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 46.0 p -78.67 -28.23 45.28 Favored 'General case' 0 N--CA 1.474 0.774 0 C-N-CA 126.322 1.849 . . . . 0.0 113.01 174.684 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 8.2 t -150.83 173.89 13.72 Favored 'General case' 0 CA--C 1.538 0.491 0 C-N-CA 126.792 2.037 . . . . 0.0 110.74 178.156 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 45.6 mt -67.35 141.96 17.18 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.594 0 C-N-CA 124.345 1.058 . . . . 0.0 111.297 179.059 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 21.8 m -123.12 138.16 54.73 Favored 'General case' 0 CA--C 1.538 0.483 0 C-N-CA 124.274 1.03 . . . . 0.0 111.776 166.922 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 69.3 m -94.06 161.98 14.06 Favored 'General case' 0 N--CA 1.469 0.488 0 C-N-CA 125.098 1.359 . . . . 0.0 111.147 172.316 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 1.9 pp -57.2 -36.0 70.31 Favored 'General case' 0 CA--C 1.543 0.703 0 C-N-CA 123.604 0.762 . . . . 0.0 112.336 -176.59 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 43.6 m-85 -66.34 -26.82 67.47 Favored 'General case' 0 CA--C 1.539 0.55 0 C-N-CA 125.336 1.454 . . . . 0.0 113.376 178.345 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 44.0 mt-30 -80.05 -45.36 18.45 Favored 'General case' 0 N--CA 1.467 0.415 0 C-N-CA 124.169 0.988 . . . . 0.0 110.288 173.825 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 96.8 mt -60.6 -33.26 72.48 Favored 'General case' 0 CA--C 1.543 0.698 0 C-N-CA 124.141 0.976 . . . . 0.0 113.091 179.455 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 38.0 mt-10 -56.98 -36.87 70.84 Favored 'General case' 0 N--CA 1.477 0.918 0 N-CA-C 113.352 0.871 . . . . 0.0 113.352 172.88 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 86.2 m-20 -66.77 -25.74 66.63 Favored 'General case' 0 CA--C 1.541 0.608 0 O-C-N 121.566 -0.709 . . . . 0.0 112.412 -176.224 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 96.9 m-85 -79.95 -10.27 59.76 Favored 'General case' 0 CA--C 1.541 0.613 0 C-N-CA 124.706 1.202 . . . . 0.0 113.828 178.056 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 13.0 t -74.83 -25.45 59.01 Favored 'General case' 0 CA--C 1.545 0.767 0 O-C-N 121.463 -0.773 . . . . 0.0 112.705 173.194 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 25.4 t-20 . . . . . 0 CA--C 1.544 0.722 0 C-N-CA 124.732 1.213 . . . . 0.0 112.352 179.681 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' B' B ' 1' ' ' PHE . . . . . . . . . . . . . 49.5 t80 . . . . . 0 CA--C 1.54 0.589 0 N-CA-C 112.272 0.471 . . . . 0.0 112.272 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' B' B ' 2' ' ' VAL . . . . . . . . . . . . . 47.9 t -136.24 131.95 49.19 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.777 0 C-N-CA 125.692 1.597 . . . . 0.0 108.24 168.035 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 3' ' ' ASN . . . . . . . . . . . . . 3.4 p-10 -61.78 146.86 48.18 Favored 'General case' 0 N--CA 1.467 0.398 0 CA-C-O 122.308 1.052 . . . . 0.0 113.702 179.998 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 4' ' ' GLN . . . . . . . . . . . . . 22.5 pt20 -168.24 173.48 7.78 Favored 'General case' 0 CA--C 1.538 0.508 0 C-N-CA 127.226 2.211 . . . . 0.0 108.574 178.428 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 5' ' ' HIS . . . . . . . . . . . . . 15.7 m80 -73.99 134.29 43.06 Favored 'General case' 0 C--N 1.32 -0.696 0 C-N-CA 125.162 1.385 . . . . 0.0 109.627 160.097 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 3.2 mm? -119.14 142.39 47.98 Favored 'General case' 0 CA--C 1.538 0.49 0 C-N-CA 125.927 1.691 . . . . 0.0 110.615 174.915 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 7' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -146.7 158.16 43.85 Favored 'General case' 0 CA--C 1.541 0.617 0 N-CA-C 112.86 0.689 . . . . 0.0 112.86 -177.147 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 8' ' ' GLY . . . . . . . . . . . . . . . 54.37 -136.54 43.21 Favored Glycine 0 CA--C 1.534 1.22 0 C-N-CA 124.38 0.99 . . . . 0.0 113.746 175.412 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 9' ' ' SER . . . . . . . . . . . . . 22.7 m -59.96 -31.92 70.33 Favored 'General case' 0 N--CA 1.473 0.678 0 C-N-CA 123.822 0.849 . . . . 0.0 113.088 177.771 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 10' ' ' HIS . . . . . . . . . . . . . 29.5 m-70 -68.42 -30.94 69.95 Favored 'General case' 0 N--CA 1.473 0.679 0 O-C-N 121.497 -0.752 . . . . 0.0 112.233 178.829 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 57.9 tp -69.18 -41.57 77.0 Favored 'General case' 0 CA--C 1.538 0.481 0 C-N-CA 123.971 0.908 . . . . 0.0 111.912 173.56 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 59.8 t -66.52 -40.8 87.3 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.767 0 C-N-CA 123.88 0.872 . . . . 0.0 111.009 175.607 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 38.9 mt-10 -67.75 -42.48 81.74 Favored 'General case' 0 CA--C 1.536 0.424 0 O-C-N 121.366 -0.834 . . . . 0.0 112.242 175.477 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -63.02 -38.13 89.95 Favored 'General case' 0 CA--C 1.541 0.632 0 CA-C-N 119.389 0.995 . . . . 0.0 113.148 -177.739 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 15' ' ' LEU . . . . . 0.402 ' HA ' HG12 ' B' ' 18' ' ' VAL . 3.1 pp -76.81 -33.14 58.0 Favored 'General case' 0 N--CA 1.471 0.589 0 O-C-N 121.686 -0.634 . . . . 0.0 111.88 177.728 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 16' ' ' TYR . . . . . . . . . . . . . 2.4 t80 -64.55 -41.26 96.45 Favored 'General case' 0 CA--C 1.54 0.594 0 C-N-CA 123.706 0.802 . . . . 0.0 111.293 172.059 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 37.8 mt -69.55 -44.09 71.62 Favored 'General case' 0 N--CA 1.467 0.422 0 C-N-CA 124.31 1.044 . . . . 0.0 112.169 -178.132 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 18' ' ' VAL . . . . . 0.402 HG12 ' HA ' ' B' ' 15' ' ' LEU . 6.0 p -71.86 -32.15 43.56 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.721 0 N-CA-C 111.94 0.348 . . . . 0.0 111.94 179.176 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 19' ' ' CYS . . . . . . . . . . . . . 15.4 t -76.47 -31.27 57.69 Favored 'General case' 0 CA--C 1.537 0.452 0 C-N-CA 123.247 0.619 . . . . 0.0 112.231 175.917 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.536 1.37 0 C-N-CA 125.756 1.646 . . . . 0.0 115.078 176.969 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 4.6 tp . . . . . 0 N--CA 1.48 1.062 0 N-CA-C 114.6 1.333 . . . . 0.0 114.6 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 7.3 p -66.72 -43.61 89.97 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.922 0 O-C-N 121.03 -1.044 . . . . 0.0 112.488 -178.156 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 47.4 mt-10 -78.01 8.54 4.6 Favored 'General case' 0 N--CA 1.475 0.82 0 N-CA-C 114.4 1.259 . . . . 0.0 114.4 176.955 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 54.8 mt-30 -117.22 -32.98 4.81 Favored 'General case' 0 CA--C 1.541 0.62 0 C-N-CA 125.287 1.435 . . . . 0.0 112.717 168.913 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 21.5 m -123.96 -4.32 8.05 Favored 'General case' 0 CA--C 1.543 0.687 0 N-CA-C 117.157 2.28 . . . . 0.0 117.157 -170.71 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 52.9 t -95.78 -26.68 15.57 Favored 'General case' 0 N--CA 1.475 0.806 0 CA-C-N 119.661 1.118 . . . . 0.0 111.141 159.254 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 41.6 p -80.29 -22.52 41.49 Favored 'General case' 0 N--CA 1.475 0.819 0 C-N-CA 126.698 1.999 . . . . 0.0 113.435 175.779 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 8.1 t -147.61 -175.93 5.05 Favored 'General case' 0 CA--C 1.54 0.584 0 C-N-CA 127.042 2.137 . . . . 0.0 110.154 175.776 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 35.7 mt -66.56 144.11 14.98 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.752 0 O-C-N 120.958 -1.089 . . . . 0.0 111.825 178.486 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -112.11 146.72 37.5 Favored 'General case' 0 CA--C 1.538 0.501 0 C-N-CA 123.947 0.899 . . . . 0.0 111.588 157.336 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 5.9 m -130.86 164.84 24.34 Favored 'General case' 0 N--CA 1.468 0.464 0 C-N-CA 127.457 2.303 . . . . 0.0 108.81 177.306 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 3.7 pp -58.27 -34.28 70.33 Favored 'General case' 0 N--CA 1.475 0.799 0 O-C-N 121.02 -1.05 . . . . 0.0 112.522 -179.754 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 54.4 m-85 -66.8 -24.54 66.19 Favored 'General case' 0 CA--C 1.542 0.66 0 C-N-CA 124.835 1.254 . . . . 0.0 113.589 175.786 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 38.0 mt-30 -85.84 -47.74 9.41 Favored 'General case' 0 N--CA 1.468 0.46 0 C-N-CA 125.106 1.362 . . . . 0.0 110.502 174.853 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 36.8 mt -61.7 -33.64 74.37 Favored 'General case' 0 CA--C 1.543 0.709 0 C-N-CA 124.932 1.293 . . . . 0.0 112.393 -178.853 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 76.7 mt-10 -60.43 -27.69 67.69 Favored 'General case' 0 N--CA 1.472 0.662 0 N-CA-C 113.634 0.975 . . . . 0.0 113.634 173.13 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 79.4 m-20 -67.95 -25.27 65.36 Favored 'General case' 0 CA--C 1.544 0.722 0 CA-C-N 119.695 1.134 . . . . 0.0 112.11 175.895 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 69.6 m-85 -88.65 -21.21 24.07 Favored 'General case' 0 CA--C 1.542 0.658 0 C-N-CA 124.95 1.3 . . . . 0.0 112.574 176.021 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 51.3 t -72.66 -43.51 63.05 Favored 'General case' 0 CA--C 1.544 0.712 0 C-N-CA 124.388 1.075 . . . . 0.0 111.763 165.475 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 49.1 t-20 . . . . . 0 CA--C 1.543 0.682 0 C-N-CA 125.786 1.634 . . . . 0.0 111.344 -177.949 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' B' B ' 1' ' ' PHE . . . . . . . . . . . . . 6.6 t80 . . . . . 0 CA--C 1.539 0.541 0 CA-C-O 120.952 0.406 . . . . 0.0 111.682 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' B' B ' 2' ' ' VAL . . . . . . . . . . . . . 60.5 t -117.57 128.13 74.86 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.666 0 C-N-CA 125.411 1.484 . . . . 0.0 108.036 165.768 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 3' ' ' ASN . . . . . . . . . . . . . 40.2 p-10 -56.26 148.57 18.19 Favored 'General case' 0 CA--C 1.535 0.391 0 N-CA-C 114.824 1.416 . . . . 0.0 114.824 -176.537 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 4' ' ' GLN . . . . . . . . . . . . . 6.8 pt20 -169.3 161.45 10.05 Favored 'General case' 0 CA--C 1.536 0.439 0 C-N-CA 126.764 2.026 . . . . 0.0 109.346 -172.614 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 5' ' ' HIS . . . . . . . . . . . . . 18.9 m80 -61.28 132.51 53.84 Favored 'General case' 0 C--N 1.322 -0.627 0 C-N-CA 125.336 1.454 . . . . 0.0 109.557 164.483 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 39.6 mt -136.35 133.55 36.94 Favored 'General case' 0 N--CA 1.472 0.661 0 C-N-CA 124.947 1.299 . . . . 0.0 110.394 -171.831 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 7' ' ' CYS . . . . . . . . . . . . . 94.2 m -135.29 148.05 49.4 Favored 'General case' 0 CA--C 1.537 0.452 0 O-C-N 121.622 -0.674 . . . . 0.0 112.761 -168.616 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 8' ' ' GLY . . . . . . . . . . . . . . . 54.44 -131.76 46.26 Favored Glycine 0 CA--C 1.534 1.221 0 C-N-CA 123.969 0.795 . . . . 0.0 112.966 177.355 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 9' ' ' SER . . . . . . . . . . . . . 24.3 m -56.15 -34.67 66.36 Favored 'General case' 0 N--CA 1.472 0.632 0 C-N-CA 124.164 0.986 . . . . 0.0 113.253 178.696 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 10' ' ' HIS . . . . . . . . . . . . . 28.4 m170 -64.78 -34.54 78.59 Favored 'General case' 0 N--CA 1.472 0.654 0 CA-C-N 119.188 0.904 . . . . 0.0 112.564 179.692 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 36.1 tp -71.96 -39.42 69.37 Favored 'General case' 0 CA--C 1.537 0.479 0 C-N-CA 123.63 0.772 . . . . 0.0 111.78 176.316 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 60.2 t -67.06 -42.78 88.88 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.712 0 C-N-CA 123.896 0.878 . . . . 0.0 110.978 175.486 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 42.9 mt-10 -62.86 -40.91 98.94 Favored 'General case' 0 N--CA 1.468 0.464 0 O-C-N 121.451 -0.781 . . . . 0.0 111.954 175.652 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -63.55 -38.71 92.18 Favored 'General case' 0 CA--C 1.543 0.689 0 N-CA-C 113.117 0.784 . . . . 0.0 113.117 179.87 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 4.6 pp -78.92 -31.29 45.17 Favored 'General case' 0 N--CA 1.47 0.547 0 O-C-N 121.68 -0.638 . . . . 0.0 111.925 176.224 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 16' ' ' TYR . . . . . . . . . . . . . 2.5 t80 -63.51 -41.54 98.5 Favored 'General case' 0 CA--C 1.541 0.598 0 O-C-N 121.404 -0.81 . . . . 0.0 111.697 172.113 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 37.9 mt -67.39 -45.03 77.41 Favored 'General case' 0 N--CA 1.467 0.394 0 C-N-CA 123.933 0.893 . . . . 0.0 112.115 -178.222 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 18' ' ' VAL . . . . . . . . . . . . . 5.4 p -73.52 -30.87 30.97 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.677 0 N-CA-C 112.286 0.476 . . . . 0.0 112.286 179.751 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 19' ' ' CYS . . . . . . . . . . . . . 8.0 t -79.69 -33.9 40.67 Favored 'General case' 0 CA--C 1.542 0.672 0 C-N-CA 123.746 0.818 . . . . 0.0 112.76 179.231 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.538 1.483 0 C-N-CA 125.719 1.628 . . . . 0.0 115.27 177.172 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 12.9 tt . . . . . 0 N--CA 1.479 1.021 0 N-CA-C 114.547 1.314 . . . . 0.0 114.547 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 7.5 p -64.05 -43.62 97.57 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.923 0 CA-C-N 119.411 1.005 . . . . 0.0 112.107 -175.751 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 47.1 mt-10 -73.54 -8.6 56.6 Favored 'General case' 0 N--CA 1.474 0.741 0 C-N-CA 124.18 0.992 . . . . 0.0 113.584 176.032 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 46.0 mt-30 -104.13 -22.04 13.48 Favored 'General case' 0 CA--C 1.543 0.685 0 C-N-CA 125.121 1.368 . . . . 0.0 113.208 176.349 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 91.6 m -107.88 -30.93 8.22 Favored 'General case' 0 CA--C 1.547 0.838 0 C-N-CA 125.486 1.514 . . . . 0.0 115.035 178.96 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 19.9 t -80.93 -32.51 34.57 Favored 'General case' 0 N--CA 1.473 0.71 0 O-C-N 120.748 -1.22 . . . . 0.0 113.076 -171.283 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 13.9 t -93.13 -23.36 18.62 Favored 'General case' 0 N--CA 1.48 1.048 0 C-N-CA 124.978 1.311 . . . . 0.0 113.8 -176.761 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 10.8 t -153.62 159.79 42.22 Favored 'General case' 0 N--CA 1.471 0.581 0 C-N-CA 126.132 1.773 . . . . 0.0 110.304 175.537 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 22.1 mt -61.59 133.35 27.36 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.754 0 C-N-CA 123.573 0.749 . . . . 0.0 111.231 -177.816 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 21.0 p -112.8 163.49 14.54 Favored 'General case' 0 CA--C 1.541 0.628 0 C-N-CA 125.287 1.435 . . . . 0.0 111.516 171.504 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 68.0 m -121.81 161.92 21.82 Favored 'General case' 0 N--CA 1.475 0.821 0 C-N-CA 123.984 0.913 . . . . 0.0 113.274 -169.163 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 2.3 pt? -54.75 -33.19 60.89 Favored 'General case' 0 N--CA 1.473 0.675 0 C-N-CA 124.113 0.965 . . . . 0.0 113.58 -179.981 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 39.6 m-85 -64.05 -25.83 68.28 Favored 'General case' 0 CA--C 1.541 0.623 0 C-N-CA 124.391 1.076 . . . . 0.0 113.01 177.003 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 40.1 mt-30 -84.71 -45.89 11.98 Favored 'General case' 0 N--CA 1.467 0.381 0 C-N-CA 124.777 1.231 . . . . 0.0 110.707 172.336 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 60.3 mt -59.06 -39.93 83.59 Favored 'General case' 0 CA--C 1.54 0.584 0 C-N-CA 123.306 0.643 . . . . 0.0 112.551 178.69 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 4.1 mm-40 -54.76 -38.58 67.37 Favored 'General case' 0 CA--C 1.543 0.711 0 C-N-CA 125.175 1.39 . . . . 0.0 112.419 172.063 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 87.7 m-20 -77.71 -33.73 52.99 Favored 'General case' 0 CA--C 1.539 0.558 0 C-N-CA 124.015 0.926 . . . . 0.0 112.186 -179.825 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 19.7 m-85 -69.75 -31.42 69.37 Favored 'General case' 0 CA--C 1.543 0.675 0 CA-C-N 118.977 0.808 . . . . 0.0 112.184 173.566 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 95.4 m -75.06 -19.64 59.9 Favored 'General case' 0 CA--C 1.545 0.756 0 N-CA-C 113.982 1.104 . . . . 0.0 113.982 174.342 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 56.0 t-20 . . . . . 0 CA--C 1.543 0.686 0 C-N-CA 124.27 1.028 . . . . 0.0 112.134 -177.463 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' B' B ' 1' ' ' PHE . . . . . . . . . . . . . 16.3 t80 . . . . . 0 CA--C 1.539 0.535 0 N-CA-C 112.295 0.48 . . . . 0.0 112.295 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' B' B ' 2' ' ' VAL . . . . . . . . . . . . . 8.4 m -128.95 128.11 66.94 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.662 0 C-N-CA 125.466 1.506 . . . . 0.0 109.262 162.34 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 3' ' ' ASN . . . . . . . . . . . . . 35.1 p-10 -75.95 165.5 24.88 Favored 'General case' 0 CA--C 1.541 0.61 0 N-CA-C 114.643 1.349 . . . . 0.0 114.643 -177.682 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 4' ' ' GLN . . . . . . . . . . . . . 8.8 pt20 -161.89 -167.9 1.79 Allowed 'General case' 0 CA--C 1.545 0.751 0 C-N-CA 129.129 2.972 . . . . 0.0 107.585 177.167 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 5' ' ' HIS . . . . . . . . . . . . . 27.4 m-70 -77.29 65.96 2.96 Favored 'General case' 0 N--CA 1.472 0.666 0 C-N-CA 126.268 1.827 . . . . 0.0 110.759 173.703 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 59.2 mt -64.63 126.99 29.65 Favored 'General case' 0 CA--C 1.535 0.366 0 C-N-CA 125.768 1.627 . . . . 0.0 112.716 -169.026 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 7' ' ' CYS . . . . . . . . . . . . . 3.4 t -151.72 158.6 43.6 Favored 'General case' 0 CA--C 1.541 0.633 0 C-N-CA 123.596 0.758 . . . . 0.0 112.095 -178.456 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 8' ' ' GLY . . . . . . . . . . . . . . . 57.37 -135.65 51.45 Favored Glycine 0 CA--C 1.535 1.328 0 C-N-CA 123.77 0.7 . . . . 0.0 113.378 178.425 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 9' ' ' SER . . . . . . . . . . . . . 36.3 p -62.25 -32.88 73.64 Favored 'General case' 0 N--CA 1.472 0.654 0 N-CA-C 113.447 0.906 . . . . 0.0 113.447 177.563 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 10' ' ' HIS . . . . . . . . . . . . . 32.0 m170 -63.68 -36.38 83.65 Favored 'General case' 0 N--CA 1.474 0.727 0 O-C-N 121.492 -0.755 . . . . 0.0 112.271 177.48 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 58.4 tp -66.04 -43.18 88.27 Favored 'General case' 0 N--CA 1.468 0.451 0 C-N-CA 124.02 0.928 . . . . 0.0 111.883 174.99 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 64.0 t -63.84 -43.7 97.93 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.684 0 C-N-CA 123.678 0.791 . . . . 0.0 110.875 176.532 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 42.5 mt-10 -65.97 -42.49 89.81 Favored 'General case' 0 N--CA 1.47 0.536 0 O-C-N 121.685 -0.634 . . . . 0.0 112.553 176.424 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -65.02 -38.39 90.74 Favored 'General case' 0 CA--C 1.539 0.521 0 O-C-N 121.272 -0.893 . . . . 0.0 113.194 -179.354 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 3.3 pp -76.24 -36.86 58.3 Favored 'General case' 0 CA--C 1.537 0.475 0 O-C-N 121.855 -0.528 . . . . 0.0 110.682 177.549 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 16' ' ' TYR . . . . . . . . . . . . . 5.2 t80 -58.77 -38.94 79.61 Favored 'General case' 0 CA--C 1.541 0.612 0 O-C-N 121.357 -0.839 . . . . 0.0 111.967 170.634 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 20.3 mt -68.84 -51.09 44.27 Favored 'General case' 0 N--CA 1.464 0.256 0 C-N-CA 123.97 0.908 . . . . 0.0 112.067 -179.866 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 18' ' ' VAL . . . . . . . . . . . . . 6.4 p -70.57 -36.9 67.76 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.534 0 N-CA-C 111.807 0.299 . . . . 0.0 111.807 -176.63 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 19' ' ' CYS . . . . . . . . . . . . . 78.0 m -87.07 -27.68 23.01 Favored 'General case' 0 CA--C 1.536 0.441 0 C-N-CA 123.895 0.878 . . . . 0.0 113.13 -176.408 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.533 1.207 0 O-C-N 121.273 -0.892 . . . . 0.0 113.592 176.872 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 15.8 tt . . . . . 0 N--CA 1.477 0.891 0 N-CA-C 114.138 1.162 . . . . 0.0 114.138 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 14.4 t -62.79 -49.75 82.44 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.006 0 C-N-CA 123.979 0.912 . . . . 0.0 111.365 -172.048 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 16.4 pt-20 -64.66 -21.86 66.83 Favored 'General case' 0 CA--C 1.547 0.828 0 N-CA-C 113.941 1.089 . . . . 0.0 113.941 176.93 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 65.3 mm-40 -87.72 -33.8 18.6 Favored 'General case' 0 N--CA 1.469 0.491 0 C-N-CA 124.366 1.067 . . . . 0.0 112.891 177.266 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 96.6 m -110.62 -29.61 7.96 Favored 'General case' 0 CA--C 1.543 0.682 0 N-CA-C 114.879 1.437 . . . . 0.0 114.879 -170.828 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 20.6 t -88.2 -35.27 17.44 Favored 'General case' 0 N--CA 1.474 0.741 0 CA-C-N 119.546 1.066 . . . . 0.0 113.024 -171.653 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 12.0 t -107.89 -13.06 15.07 Favored 'General case' 0 N--CA 1.482 1.134 0 C-N-CA 125.575 1.55 . . . . 0.0 113.422 179.987 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 72.1 m -136.05 165.39 25.81 Favored 'General case' 0 N--CA 1.471 0.601 0 C-N-CA 127.155 2.182 . . . . 0.0 110.107 175.694 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 52.5 mt -81.34 136.08 23.8 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.708 0 O-C-N 121.329 -0.857 . . . . 0.0 110.041 174.12 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 19.4 p -121.8 169.03 11.16 Favored 'General case' 0 CA--C 1.543 0.683 0 C-N-CA 125.402 1.481 . . . . 0.0 111.979 173.927 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 46.1 m -124.98 160.9 27.88 Favored 'General case' 0 N--CA 1.474 0.765 0 C-N-CA 124.761 1.225 . . . . 0.0 112.48 -172.03 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -57.11 -28.41 62.66 Favored 'General case' 0 N--CA 1.471 0.603 0 N-CA-C 114.335 1.235 . . . . 0.0 114.335 -179.672 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 43.3 m-85 -62.47 -28.95 70.18 Favored 'General case' 0 CA--C 1.541 0.599 0 C-N-CA 124.544 1.138 . . . . 0.0 112.809 174.932 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 34.9 mt-30 -83.9 -44.53 14.17 Favored 'General case' 0 CA--C 1.536 0.424 0 C-N-CA 124.686 1.195 . . . . 0.0 110.448 175.271 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 76.9 mt -59.45 -36.51 76.08 Favored 'General case' 0 CA--C 1.543 0.701 0 C-N-CA 123.549 0.74 . . . . 0.0 112.958 177.823 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 4.4 mm-40 -60.71 -32.31 71.56 Favored 'General case' 0 CA--C 1.541 0.629 0 C-N-CA 124.819 1.248 . . . . 0.0 113.099 172.344 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 90.2 m-20 -79.04 -39.66 33.39 Favored 'General case' 0 CA--C 1.54 0.577 0 C-N-CA 123.437 0.695 . . . . 0.0 111.528 177.083 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 22.9 m-85 -65.73 -22.82 66.64 Favored 'General case' 0 N--CA 1.473 0.707 0 N-CA-C 113.487 0.921 . . . . 0.0 113.487 178.207 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 21.1 t -60.9 -25.28 66.62 Favored 'General case' 0 CA--C 1.548 0.868 0 N-CA-C 113.216 0.821 . . . . 0.0 113.216 171.676 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 37.8 m-80 . . . . . 0 N--CA 1.472 0.656 0 C-N-CA 126.11 1.764 . . . . 0.0 113.031 -179.366 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' B' B ' 1' ' ' PHE . . . . . . . . . . . . . 59.4 t80 . . . . . 0 CA--C 1.539 0.55 0 N-CA-C 112.203 0.445 . . . . 0.0 112.203 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' B' B ' 2' ' ' VAL . . . . . . . . . . . . . 59.1 t -134.34 127.16 50.18 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.797 0 C-N-CA 125.277 1.431 . . . . 0.0 109.192 176.019 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 3' ' ' ASN . . . . . . . . . . . . . 3.9 p-10 -57.03 129.26 40.93 Favored 'General case' 0 CA--C 1.535 0.377 0 C-N-CA 123.868 0.867 . . . . 0.0 112.903 179.081 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 4' ' ' GLN . . . . . . . . . . . . . 5.1 pt20 -163.71 155.56 17.08 Favored 'General case' 0 CA--C 1.537 0.458 0 C-N-CA 125.528 1.531 . . . . 0.0 110.481 173.635 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 5' ' ' HIS . . . . . . . . . . . . . 43.1 m-70 -73.06 77.48 1.22 Allowed 'General case' 0 CA--C 1.546 0.813 0 C-N-CA 124.997 1.319 . . . . 0.0 111.243 171.16 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 75.3 mt -64.16 126.52 28.0 Favored 'General case' 0 N--CA 1.471 0.598 0 C-N-CA 124.816 1.246 . . . . 0.0 112.192 179.475 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 7' ' ' CYS . . . . . . . . . . . . . 4.1 t -151.76 160.83 43.44 Favored 'General case' 0 N--CA 1.471 0.613 0 N-CA-C 112.872 0.693 . . . . 0.0 112.872 178.302 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 8' ' ' GLY . . . . . . . . . . . . . . . 58.64 -137.14 50.54 Favored Glycine 0 CA--C 1.532 1.151 0 C-N-CA 124.001 0.81 . . . . 0.0 112.862 179.998 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 9' ' ' SER . . . . . . . . . . . . . 24.8 m -58.17 -35.69 71.94 Favored 'General case' 0 N--CA 1.473 0.693 0 C-N-CA 123.65 0.78 . . . . 0.0 112.825 178.12 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 10' ' ' HIS . . . . . . . . . . . . . 32.5 m170 -62.96 -37.3 86.52 Favored 'General case' 0 N--CA 1.472 0.675 0 C-N-CA 123.617 0.767 . . . . 0.0 112.471 178.708 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 51.9 tp -67.39 -43.33 81.58 Favored 'General case' 0 CA--C 1.536 0.406 0 C-N-CA 124.171 0.989 . . . . 0.0 112.173 176.179 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 75.9 t -66.2 -43.61 91.83 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.697 0 C-N-CA 123.746 0.818 . . . . 0.0 110.849 177.165 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 42.2 mt-10 -66.0 -42.67 89.45 Favored 'General case' 0 N--CA 1.467 0.401 0 O-C-N 121.613 -0.679 . . . . 0.0 112.117 176.956 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -62.79 -39.76 95.25 Favored 'General case' 0 CA--C 1.539 0.532 0 CA-C-N 119.272 0.942 . . . . 0.0 113.026 -178.392 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 15' ' ' LEU . . . . . 0.404 ' HA ' HG12 ' B' ' 18' ' ' VAL . 3.2 pp -77.45 -33.45 54.72 Favored 'General case' 0 N--CA 1.467 0.414 0 O-C-N 121.798 -0.564 . . . . 0.0 111.809 179.405 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 16' ' ' TYR . . . . . . . . . . . . . 3.4 t80 -63.22 -43.22 98.7 Favored 'General case' 0 CA--C 1.539 0.552 0 C-N-CA 123.83 0.852 . . . . 0.0 111.298 171.579 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 43.2 mt -69.06 -45.58 69.99 Favored 'General case' 0 N--CA 1.467 0.417 0 C-N-CA 123.978 0.911 . . . . 0.0 112.435 -178.936 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 18' ' ' VAL . . . . . 0.404 HG12 ' HA ' ' B' ' 15' ' ' LEU . 3.9 p -71.8 -31.26 40.71 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.84 0 N-CA-C 112.272 0.471 . . . . 0.0 112.272 -177.489 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 19' ' ' CYS . . . . . . . . . . . . . 21.0 t -81.7 -37.55 27.19 Favored 'General case' 0 CA--C 1.542 0.657 0 C-N-CA 124.135 0.974 . . . . 0.0 112.066 177.658 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.537 1.414 0 C-N-CA 126.513 2.006 . . . . 0.0 114.238 174.412 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 12.2 tt . . . . . 0 N--CA 1.482 1.128 0 N-CA-C 115.831 1.789 . . . . 0.0 115.831 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 9.8 p -62.68 -43.77 98.88 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.779 0 C-N-CA 123.525 0.73 . . . . 0.0 112.708 -170.249 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 46.9 mt-10 -78.27 -46.92 19.03 Favored 'General case' 0 N--CA 1.464 0.275 0 C-N-CA 123.39 0.676 . . . . 0.0 110.326 172.472 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 45.4 tt0 -59.33 -41.25 88.69 Favored 'General case' 0 CA--C 1.535 0.38 0 C-N-CA 124.324 1.05 . . . . 0.0 112.877 -171.135 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 57.5 m -85.21 -26.53 26.67 Favored 'General case' 0 CA--C 1.539 0.524 0 N-CA-C 113.339 0.866 . . . . 0.0 113.339 177.482 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 6.6 t -78.29 -26.99 47.26 Favored 'General case' 0 CA--C 1.546 0.82 0 CA-C-N 119.327 0.967 . . . . 0.0 112.594 176.841 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 1.3 t -99.19 -21.93 15.89 Favored 'General case' 0 N--CA 1.478 0.935 0 C-N-CA 125.462 1.505 . . . . 0.0 114.06 -179.624 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 6.5 t -148.89 177.96 9.09 Favored 'General case' 0 N--CA 1.471 0.615 0 C-N-CA 125.387 1.475 . . . . 0.0 112.198 -177.228 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 34.9 mt -70.49 143.51 14.54 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.532 0 C-N-CA 124.485 1.114 . . . . 0.0 111.77 179.77 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 54.2 m -122.94 132.11 54.02 Favored 'General case' 0 CA--C 1.538 0.498 0 C-N-CA 124.776 1.23 . . . . 0.0 111.587 167.126 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 95.7 p -85.85 168.26 14.42 Favored 'General case' 0 N--CA 1.469 0.517 0 C-N-CA 124.858 1.263 . . . . 0.0 112.531 172.891 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -59.64 -28.13 66.95 Favored 'General case' 0 CA--C 1.541 0.602 0 N-CA-C 112.978 0.733 . . . . 0.0 112.978 167.38 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 37.0 m-85 -69.73 -41.59 75.08 Favored 'General case' 0 N--CA 1.466 0.371 0 O-C-N 121.719 -0.613 . . . . 0.0 111.308 176.614 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 39.7 mt-30 -65.26 -47.47 76.61 Favored 'General case' 0 N--CA 1.465 0.319 0 C-N-CA 123.454 0.702 . . . . 0.0 110.64 175.926 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 77.0 mt -62.56 -36.16 81.79 Favored 'General case' 0 CA--C 1.542 0.672 0 C-N-CA 123.819 0.847 . . . . 0.0 113.025 -179.907 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 37.6 mt-10 -68.67 -40.42 80.15 Favored 'General case' 0 N--CA 1.473 0.676 0 O-C-N 121.596 -0.69 . . . . 0.0 112.557 169.213 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 95.5 m-20 -64.08 -31.47 72.67 Favored 'General case' 0 CA--C 1.542 0.654 0 O-C-N 121.075 -1.016 . . . . 0.0 112.56 177.456 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 25.0 m-85 -73.56 -34.75 65.3 Favored 'General case' 0 CA--C 1.54 0.593 0 CA-C-N 118.652 0.66 . . . . 0.0 112.73 175.038 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 2.6 p -81.06 -34.04 33.02 Favored 'General case' 0 CA--C 1.541 0.598 0 N-CA-C 113.369 0.878 . . . . 0.0 113.369 -179.379 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 53.3 t-20 . . . . . 0 CA--C 1.544 0.726 0 C-N-CA 125.198 1.399 . . . . 0.0 112.201 179.398 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' B' B ' 1' ' ' PHE . . . . . . . . . . . . . 55.3 t80 . . . . . 0 CA--C 1.54 0.578 0 N-CA-C 112.199 0.444 . . . . 0.0 112.199 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' B' B ' 2' ' ' VAL . . . . . . . . . . . . . 22.2 m -135.59 139.51 46.32 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.789 0 C-N-CA 124.985 1.314 . . . . 0.0 110.102 165.249 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 3' ' ' ASN . . . . . . . . . . . . . 77.1 m-20 -57.85 136.62 57.01 Favored 'General case' 0 N--CA 1.468 0.474 0 C-N-CA 123.015 0.526 . . . . 0.0 111.662 178.692 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 4' ' ' GLN . . . . . . . . . . . . . 8.2 pt20 -164.38 158.7 18.86 Favored 'General case' 0 CA--C 1.535 0.372 0 C-N-CA 124.778 1.231 . . . . 0.0 110.809 -176.963 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 5' ' ' HIS . . . . . . . . . . . . . 26.9 m80 -66.45 140.78 58.05 Favored 'General case' 0 CA--C 1.543 0.683 0 C-N-CA 125.061 1.344 . . . . 0.0 109.845 162.364 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 62.0 mt -142.35 129.33 20.72 Favored 'General case' 0 N--CA 1.473 0.685 0 C-N-CA 125.17 1.388 . . . . 0.0 111.386 -175.07 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 7' ' ' CYS . . . . . . . . . . . . . 4.9 t -147.34 158.38 43.94 Favored 'General case' 0 CA--C 1.54 0.586 0 C-N-CA 123.339 0.656 . . . . 0.0 112.361 -179.059 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 8' ' ' GLY . . . . . . . . . . . . . . . 58.12 -136.95 50.46 Favored Glycine 0 CA--C 1.534 1.226 0 C-N-CA 124.048 0.832 . . . . 0.0 113.612 177.851 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 9' ' ' SER . . . . . . . . . . . . . 38.7 p -59.85 -32.07 70.34 Favored 'General case' 0 N--CA 1.472 0.628 0 C-N-CA 124.198 0.999 . . . . 0.0 113.543 178.275 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 10' ' ' HIS . . . . . . . . . . . . . 26.4 m-70 -66.89 -37.65 84.79 Favored 'General case' 0 N--CA 1.47 0.574 0 CA-C-N 118.721 0.691 . . . . 0.0 111.781 178.502 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 58.1 tp -65.75 -44.58 85.48 Favored 'General case' 0 CA--C 1.537 0.465 0 C-N-CA 124.107 0.963 . . . . 0.0 111.95 174.243 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 85.8 t -63.36 -45.22 98.69 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.78 0 C-N-CA 123.658 0.783 . . . . 0.0 111.031 178.351 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 39.0 mt-10 -67.65 -41.93 83.04 Favored 'General case' 0 N--CA 1.469 0.518 0 O-C-N 121.697 -0.627 . . . . 0.0 112.396 177.008 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -63.59 -40.23 96.41 Favored 'General case' 0 CA--C 1.538 0.499 0 CA-C-N 119.029 0.832 . . . . 0.0 112.733 -179.211 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 15' ' ' LEU . . . . . 0.424 ' HA ' HG12 ' B' ' 18' ' ' VAL . 3.1 pp -75.53 -35.22 60.76 Favored 'General case' 0 N--CA 1.469 0.502 0 CA-C-N 118.436 0.562 . . . . 0.0 111.572 179.704 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 16' ' ' TYR . . . . . . . . . . . . . 2.6 t80 -61.22 -44.11 97.79 Favored 'General case' 0 CA--C 1.54 0.558 0 C-N-CA 123.913 0.885 . . . . 0.0 111.16 173.08 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 53.6 mt -67.07 -51.64 52.01 Favored 'General case' 0 CA--C 1.532 0.275 0 C-N-CA 123.49 0.716 . . . . 0.0 111.789 179.401 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 18' ' ' VAL . . . . . 0.424 HG12 ' HA ' ' B' ' 15' ' ' LEU . 4.9 p -72.42 -28.65 29.02 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.777 0 N-CA-C 112.917 0.71 . . . . 0.0 112.917 -173.302 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 19' ' ' CYS . . . . . . . . . . . . . 9.1 t -81.0 -33.2 33.86 Favored 'General case' 0 CA--C 1.545 0.76 0 C-N-CA 123.389 0.676 . . . . 0.0 112.187 174.799 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.536 1.397 0 C-N-CA 124.755 1.169 . . . . 0.0 115.4 -179.262 . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 2' ' ' ILE . . . . . 0.777 HD13 ' CD2' ' A' ' 19' ' ' TYR . 0.6 OUTLIER . . . . . 0 N--CA 1.479 1.016 0 N-CA-C 114.7 1.37 . . . . 0.0 114.7 . . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 7.6 p -57.56 -43.26 82.86 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.885 0 O-C-N 121.123 -0.985 . . . . 0.0 112.497 177.837 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 42.0 mt-10 -70.09 -31.79 69.54 Favored 'General case' 0 N--CA 1.475 0.822 0 O-C-N 120.715 -1.241 . . . . 0.0 112.541 176.66 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 7.7 mm100 -71.03 -28.46 64.41 Favored 'General case' 0 CA--C 1.541 0.617 0 C-N-CA 124.053 0.941 . . . . 0.0 112.839 178.771 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 67.7 m -116.71 -30.37 5.81 Favored 'General case' 0 CA--C 1.547 0.838 0 N-CA-C 115.81 1.782 . . . . 0.0 115.81 -174.308 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 29.4 t -82.39 -32.62 29.09 Favored 'General case' 0 N--CA 1.477 0.885 0 CA-C-N 120.528 1.513 . . . . 0.0 113.112 -170.065 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 14.4 t -113.26 -10.53 13.33 Favored 'General case' 0 N--CA 1.48 1.026 0 C-N-CA 125.673 1.589 . . . . 0.0 113.413 -176.683 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 8.4 t -143.16 163.1 33.83 Favored 'General case' 0 N--CA 1.469 0.506 0 C-N-CA 126.085 1.754 . . . . 0.0 111.185 175.438 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 24.3 mt -70.03 140.4 18.64 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.601 0 C-N-CA 124.096 0.959 . . . . 0.0 111.332 179.798 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 29.3 p -130.38 162.7 28.52 Favored 'General case' 0 CA--C 1.542 0.645 0 C-N-CA 124.627 1.171 . . . . 0.0 112.09 170.15 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 19.6 m -126.31 163.39 23.34 Favored 'General case' 0 N--CA 1.474 0.739 0 C-N-CA 124.418 1.087 . . . . 0.0 112.292 -170.042 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 2.4 pt? -51.64 -36.32 45.63 Favored 'General case' 0 N--CA 1.475 0.791 0 C-N-CA 124.278 1.031 . . . . 0.0 113.242 175.959 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 31.9 m-85 -60.15 -27.35 67.01 Favored 'General case' 0 CA--C 1.539 0.52 0 C-N-CA 125.032 1.333 . . . . 0.0 113.098 177.124 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 7.7 mt-30 -95.71 -40.13 9.53 Favored 'General case' 0 CA--C 1.538 0.483 0 C-N-CA 123.856 0.862 . . . . 0.0 111.764 173.552 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 60.9 mt -60.99 -36.37 79.28 Favored 'General case' 0 N--CA 1.471 0.577 0 C-N-CA 123.949 0.9 . . . . 0.0 112.878 -178.721 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 40.6 mt-10 -66.5 -30.04 70.28 Favored 'General case' 0 CA--C 1.547 0.828 0 O-C-N 121.513 -0.742 . . . . 0.0 112.583 172.36 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 48.0 m-80 -75.79 -33.0 60.13 Favored 'General case' 0 N--CA 1.47 0.567 0 O-C-N 120.965 -1.084 . . . . 0.0 112.801 174.442 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 19' ' ' TYR . . . . . 0.777 ' CD2' HD13 ' A' ' 2' ' ' ILE . 27.1 m-85 -71.16 -27.61 63.67 Favored 'General case' 0 N--CA 1.472 0.662 0 CA-C-N 119.11 0.868 . . . . 0.0 112.355 172.713 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 48.4 t -68.83 -44.4 73.53 Favored 'General case' 0 CA--C 1.545 0.77 0 C-N-CA 123.747 0.819 . . . . 0.0 112.391 167.958 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 50.9 t-20 . . . . . 0 CA--C 1.546 0.789 0 C-N-CA 124.535 1.134 . . . . 0.0 112.58 -176.712 . . . . . . . . 0 0 . 1 . 011 nuclear build core ' B' B ' 1' ' ' PHE . . . . . . . . . . . . . 60.0 t80 . . . . . 0 CA--C 1.541 0.627 0 N-CA-C 112.346 0.498 . . . . 0.0 112.346 . . . . . . . . . 0 0 . 1 . 011 nuclear build core ' B' B ' 2' ' ' VAL . . . . . . . . . . . . . 18.4 m -134.12 139.95 47.18 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.844 0 C-N-CA 125.399 1.479 . . . . 0.0 110.143 166.697 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 3' ' ' ASN . . . . . . . . . . . . . 72.8 m-20 -54.09 139.29 35.49 Favored 'General case' 0 N--CA 1.471 0.586 0 N-CA-C 113.378 0.881 . . . . 0.0 113.378 -179.265 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 4' ' ' GLN . . . . . . . . . . . . . 10.3 pt20 -165.97 155.15 11.69 Favored 'General case' 0 CA--C 1.536 0.412 0 C-N-CA 124.705 1.202 . . . . 0.0 111.672 -172.248 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 5' ' ' HIS . . . . . . . . . . . . . 27.9 m-70 -76.8 143.26 39.92 Favored 'General case' 0 CA--C 1.542 0.669 0 C-N-CA 124.902 1.281 . . . . 0.0 110.144 159.359 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 23.2 mt -144.97 134.23 22.9 Favored 'General case' 0 N--CA 1.473 0.694 0 C-N-CA 126.179 1.792 . . . . 0.0 110.706 -176.658 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 7' ' ' CYS . . . . . . . . . . . . . 3.9 t -149.37 159.95 43.84 Favored 'General case' 0 CA--C 1.541 0.628 0 O-C-N 121.516 -0.74 . . . . 0.0 112.819 -179.245 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 8' ' ' GLY . . . . . . . . . . . . . . . 56.66 -138.83 46.12 Favored Glycine 0 CA--C 1.533 1.206 0 C-N-CA 124.393 0.997 . . . . 0.0 113.543 177.01 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 9' ' ' SER . . . . . . . . . . . . . 22.7 m -59.56 -31.23 69.24 Favored 'General case' 0 N--CA 1.473 0.706 0 N-CA-C 113.2 0.815 . . . . 0.0 113.2 178.065 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 10' ' ' HIS . . . . . . . . . . . . . 28.4 m-70 -67.43 -35.97 80.3 Favored 'General case' 0 N--CA 1.471 0.578 0 O-C-N 121.573 -0.704 . . . . 0.0 111.831 178.25 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 11' ' ' LEU . . . . . 0.551 HD11 HD11 ' A' ' 2' ' ' ILE . 49.9 tp -66.24 -44.12 84.65 Favored 'General case' 0 CA--C 1.537 0.443 0 C-N-CA 123.961 0.904 . . . . 0.0 111.862 174.151 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 84.4 t -63.24 -43.67 98.85 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.787 0 C-N-CA 123.78 0.832 . . . . 0.0 111.085 177.437 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 39.8 mt-10 -67.23 -43.98 80.63 Favored 'General case' 0 CA--C 1.537 0.452 0 O-C-N 121.56 -0.712 . . . . 0.0 112.242 175.682 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -62.77 -40.41 97.2 Favored 'General case' 0 CA--C 1.538 0.499 0 O-C-N 121.182 -0.949 . . . . 0.0 112.805 -179.265 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 3.7 pp -73.85 -31.22 63.09 Favored 'General case' 0 CA--C 1.536 0.406 0 CA-C-N 118.598 0.636 . . . . 0.0 112.279 177.866 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 16' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -63.27 -46.79 85.2 Favored 'General case' 0 N--CA 1.469 0.506 0 CA-C-N 118.771 0.714 . . . . 0.0 110.811 169.705 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 39.2 mt -67.5 -41.49 84.4 Favored 'General case' 0 CA--C 1.535 0.387 0 C-N-CA 124.212 1.005 . . . . 0.0 112.375 -174.091 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 18' ' ' VAL . . . . . . . . . . . . . 4.7 p -75.67 -28.27 19.45 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.745 0 C-N-CA 123.217 0.607 . . . . 0.0 112.537 179.842 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 19' ' ' CYS . . . . . . . . . . . . . 29.6 t -83.26 -32.33 26.49 Favored 'General case' 0 CA--C 1.542 0.646 0 C-N-CA 124.461 1.104 . . . . 0.0 113.686 177.179 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.538 1.503 0 C-N-CA 125.092 1.329 . . . . 0.0 114.382 -172.999 . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 2' ' ' ILE . . . . . 0.442 HD13 ' CD2' ' A' ' 19' ' ' TYR . 0.9 OUTLIER . . . . . 0 N--CA 1.478 0.965 0 N-CA-C 112.993 0.738 . . . . 0.0 112.993 . . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 7.5 p -62.99 -40.14 87.89 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.99 0 O-C-N 121.078 -1.014 . . . . 0.0 111.803 177.0 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 46.8 mt-10 -75.45 7.39 3.63 Favored 'General case' 0 N--CA 1.475 0.785 0 N-CA-C 114.908 1.447 . . . . 0.0 114.908 175.585 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 18.0 tp60 -116.38 -37.41 3.76 Favored 'General case' 0 CA--C 1.54 0.568 0 C-N-CA 124.624 1.17 . . . . 0.0 112.513 165.466 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 65.9 m -108.31 -13.76 14.82 Favored 'General case' 0 CA--C 1.544 0.712 0 N-CA-C 115.87 1.804 . . . . 0.0 115.87 -170.041 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 34.8 t -95.91 -23.5 16.85 Favored 'General case' 0 N--CA 1.473 0.713 0 CA-C-N 119.405 1.002 . . . . 0.0 111.69 167.714 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 38.8 p -82.39 -33.48 28.7 Favored 'General case' 0 N--CA 1.472 0.638 0 C-N-CA 126.615 1.966 . . . . 0.0 112.73 178.39 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 75.0 m -144.04 169.03 18.61 Favored 'General case' 0 N--CA 1.471 0.606 0 C-N-CA 127.431 2.293 . . . . 0.0 110.749 178.138 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 49.6 mt -65.01 141.94 17.58 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.764 0 O-C-N 121.315 -0.866 . . . . 0.0 110.639 171.945 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 38.2 m -117.13 141.37 48.36 Favored 'General case' 0 CA--C 1.537 0.466 0 C-N-CA 124.532 1.133 . . . . 0.0 111.887 168.046 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 51.1 m -89.39 162.71 15.64 Favored 'General case' 0 N--CA 1.47 0.555 0 C-N-CA 125.13 1.372 . . . . 0.0 111.802 171.794 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 13' ' ' LEU . . . . . 0.402 HD12 ' H ' ' A' ' 14' ' ' TYR . 0.4 OUTLIER -57.06 -34.53 68.36 Favored 'General case' 0 CA--C 1.545 0.775 0 N-CA-C 113.399 0.889 . . . . 0.0 113.399 176.339 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 14' ' ' TYR . . . . . 0.402 ' H ' HD12 ' A' ' 13' ' ' LEU . 44.2 m-85 -61.89 -28.87 69.81 Favored 'General case' 0 CA--C 1.54 0.574 0 C-N-CA 124.669 1.187 . . . . 0.0 113.122 175.471 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 43.4 mt-30 -83.22 -51.97 7.0 Favored 'General case' 0 N--CA 1.465 0.317 0 C-N-CA 124.495 1.118 . . . . 0.0 110.231 176.129 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 96.6 mt -60.01 -38.45 82.69 Favored 'General case' 0 CA--C 1.538 0.509 0 C-N-CA 124.136 0.975 . . . . 0.0 113.074 -175.539 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 39.0 mt-10 -63.96 -26.92 68.8 Favored 'General case' 0 CA--C 1.545 0.752 0 N-CA-C 113.351 0.871 . . . . 0.0 113.351 178.125 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 89.3 m-20 -70.12 -30.97 68.3 Favored 'General case' 0 CA--C 1.541 0.627 0 O-C-N 121.22 -0.925 . . . . 0.0 112.413 178.194 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 19' ' ' TYR . . . . . 0.442 ' CD2' HD13 ' A' ' 2' ' ' ILE . 91.3 m-85 -72.88 -14.75 61.55 Favored 'General case' 0 N--CA 1.471 0.611 0 C-N-CA 124.407 1.083 . . . . 0.0 113.597 178.866 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 20.7 t -76.12 -26.15 56.09 Favored 'General case' 0 CA--C 1.546 0.81 0 C-N-CA 124.532 1.133 . . . . 0.0 113.258 176.233 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 63.3 t-20 . . . . . 0 CA--C 1.542 0.641 0 C-N-CA 124.467 1.107 . . . . 0.0 111.78 -179.489 . . . . . . . . 0 0 . 1 . 012 nuclear build core ' B' B ' 1' ' ' PHE . . . . . . . . . . . . . 84.1 t80 . . . . . 0 CA--C 1.543 0.68 0 N-CA-C 112.556 0.576 . . . . 0.0 112.556 . . . . . . . . . 0 0 . 1 . 012 nuclear build core ' B' B ' 2' ' ' VAL . . . . . . . . . . . . . 61.5 t -133.02 131.11 58.83 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.738 0 C-N-CA 125.775 1.63 . . . . 0.0 108.532 171.454 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 3' ' ' ASN . . . . . . . . . . . . . 8.1 m-20 -54.39 138.8 38.89 Favored 'General case' 0 CA--C 1.536 0.437 0 N-CA-C 113.717 1.006 . . . . 0.0 113.717 -173.848 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 4' ' ' GLN . . . . . . . . . . . . . 7.8 pt20 -168.75 159.13 9.56 Favored 'General case' 0 CA--C 1.537 0.469 0 C-N-CA 126.717 2.007 . . . . 0.0 109.302 -178.092 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 5' ' ' HIS . . . . . . . . . . . . . 28.1 m-70 -67.85 142.68 56.05 Favored 'General case' 0 N--CA 1.471 0.622 0 C-N-CA 123.999 0.92 . . . . 0.0 110.243 162.816 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 49.9 mt -141.9 139.01 32.45 Favored 'General case' 0 N--CA 1.472 0.653 0 C-N-CA 125.62 1.568 . . . . 0.0 110.506 -174.678 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 7' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -142.61 155.51 44.97 Favored 'General case' 0 N--CA 1.474 0.734 0 N-CA-C 113.266 0.839 . . . . 0.0 113.266 -175.488 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 8' ' ' GLY . . . . . . . . . . . . . . . 52.23 -133.74 37.6 Favored Glycine 0 CA--C 1.535 1.318 0 C-N-CA 124.172 0.891 . . . . 0.0 114.129 173.028 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 9' ' ' SER . . . . . . . . . . . . . 37.6 p -61.74 -31.55 71.73 Favored 'General case' 0 N--CA 1.47 0.565 0 N-CA-C 113.455 0.909 . . . . 0.0 113.455 176.761 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 10' ' ' HIS . . . . . . . . . . . . . 30.2 m170 -65.0 -37.44 87.66 Favored 'General case' 0 N--CA 1.47 0.559 0 CA-C-N 119.156 0.889 . . . . 0.0 111.875 176.656 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 43.6 tp -66.97 -45.7 76.89 Favored 'General case' 0 N--CA 1.467 0.395 0 C-N-CA 123.88 0.872 . . . . 0.0 111.894 173.965 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 91.7 t -61.78 -43.84 97.88 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.805 0 C-N-CA 123.523 0.729 . . . . 0.0 111.352 178.77 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 43.7 mt-10 -68.78 -44.56 73.39 Favored 'General case' 0 N--CA 1.47 0.532 0 O-C-N 121.792 -0.567 . . . . 0.0 112.324 175.531 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -64.84 -37.39 87.45 Favored 'General case' 0 CA--C 1.538 0.5 0 CA-C-N 119.297 0.953 . . . . 0.0 112.836 -177.256 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 2.9 pp -75.09 -31.52 61.22 Favored 'General case' 0 N--CA 1.469 0.488 0 CA-C-N 118.494 0.588 . . . . 0.0 111.774 179.857 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 16' ' ' TYR . . . . . . . . . . . . . 4.1 t80 -70.15 -37.46 75.24 Favored 'General case' 0 CA--C 1.541 0.625 0 C-N-CA 125.075 1.35 . . . . 0.0 111.929 172.733 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 42.9 mt -72.03 -43.06 65.58 Favored 'General case' 0 N--CA 1.468 0.44 0 C-N-CA 124.394 1.078 . . . . 0.0 112.311 178.673 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 18' ' ' VAL . . . . . . . . . . . . . 7.0 p -72.16 -28.93 30.65 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.888 0 CA-C-N 118.255 0.48 . . . . 0.0 111.826 177.206 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 19' ' ' CYS . . . . . . . . . . . . . 42.3 t -67.49 -39.65 85.21 Favored 'General case' 0 N--CA 1.466 0.366 0 C-N-CA 124.743 1.217 . . . . 0.0 113.646 169.184 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.532 1.11 0 CA-C-O 119.659 -0.523 . . . . 0.0 112.041 -169.583 . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 8.5 tt . . . . . 0 N--CA 1.476 0.852 0 N-CA-C 114.456 1.28 . . . . 0.0 114.456 . . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 9.7 p -66.87 -47.12 83.53 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.038 0 O-C-N 120.695 -1.253 . . . . 0.0 112.116 -175.216 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 24.5 pt-20 -71.15 3.83 3.22 Favored 'General case' 0 CA--C 1.548 0.883 0 C-N-CA 126.157 1.783 . . . . 0.0 114.609 175.553 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 47.2 mt-30 -118.79 -35.8 3.6 Favored 'General case' 0 CA--C 1.542 0.651 0 C-N-CA 125.127 1.371 . . . . 0.0 112.404 171.926 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 55.8 m -116.09 -10.48 11.52 Favored 'General case' 0 CA--C 1.544 0.717 0 N-CA-C 114.837 1.421 . . . . 0.0 114.837 -169.379 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 43.3 t -95.93 -23.88 16.66 Favored 'General case' 0 N--CA 1.478 0.941 0 CA-C-N 118.842 0.747 . . . . 0.0 111.607 163.911 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 45.4 p -88.38 -36.36 16.62 Favored 'General case' 0 N--CA 1.475 0.796 0 C-N-CA 126.747 2.019 . . . . 0.0 112.953 179.623 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 67.9 m -127.75 175.61 8.18 Favored 'General case' 0 N--CA 1.472 0.642 0 C-N-CA 127.765 2.426 . . . . 0.0 109.747 168.962 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 44.0 mt -70.19 -45.43 75.85 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.898 0 O-C-N 120.812 -1.18 . . . . 0.0 113.732 -169.474 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 89.1 m 58.34 122.18 0.01 OUTLIER 'General case' 0 N--CA 1.477 0.9 0 C-N-CA 126.256 1.822 . . . . 0.0 114.384 -161.7 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 42.4 m -74.79 165.24 25.56 Favored 'General case' 0 N--CA 1.474 0.751 0 O-C-N 121.26 -0.9 . . . . 0.0 111.323 174.017 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -56.78 -32.99 66.19 Favored 'General case' 0 CA--C 1.543 0.679 0 N-CA-C 113.541 0.941 . . . . 0.0 113.541 176.858 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 43.9 m-85 -64.02 -34.33 77.75 Favored 'General case' 0 CA--C 1.539 0.524 0 C-N-CA 124.407 1.083 . . . . 0.0 112.674 174.828 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 46.2 mt-30 -78.46 -47.85 16.59 Favored 'General case' 0 CA--C 1.532 0.276 0 C-N-CA 124.311 1.044 . . . . 0.0 110.413 177.531 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 99.6 mt -60.37 -35.15 75.03 Favored 'General case' 0 CA--C 1.54 0.591 0 N-CA-C 113.028 0.751 . . . . 0.0 113.028 178.56 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 21.6 mt-10 -67.64 -27.41 66.85 Favored 'General case' 0 CA--C 1.542 0.662 0 N-CA-C 113.834 1.05 . . . . 0.0 113.834 173.879 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 97.0 m-20 -66.13 -28.47 68.82 Favored 'General case' 0 N--CA 1.473 0.676 0 CA-C-N 120.008 1.276 . . . . 0.0 111.955 176.152 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 87.3 m-85 -77.07 -10.88 59.67 Favored 'General case' 0 CA--C 1.545 0.783 0 C-N-CA 124.387 1.075 . . . . 0.0 113.701 174.545 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 23.1 t -72.16 -27.12 62.39 Favored 'General case' 0 CA--C 1.546 0.805 0 C-N-CA 123.747 0.819 . . . . 0.0 112.445 171.929 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 59.0 t-20 . . . . . 0 CA--C 1.543 0.695 0 C-N-CA 126.439 1.896 . . . . 0.0 113.622 178.889 . . . . . . . . 0 0 . 1 . 013 nuclear build core ' B' B ' 1' ' ' PHE . . . . . . . . . . . . . 73.7 t80 . . . . . 0 CA--C 1.541 0.629 0 N-CA-C 112.346 0.499 . . . . 0.0 112.346 . . . . . . . . . 0 0 . 1 . 013 nuclear build core ' B' B ' 2' ' ' VAL . . . . . . . . . . . . . 59.3 t -134.41 128.82 52.21 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.758 0 C-N-CA 125.573 1.549 . . . . 0.0 108.582 173.12 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 3' ' ' ASN . . . . . . . . . . . . . 75.5 m-20 -58.29 122.05 12.26 Favored 'General case' 0 CA--C 1.539 0.52 0 C-N-CA 123.769 0.827 . . . . 0.0 112.333 -174.593 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 4' ' ' GLN . . . . . . . . . . . . . 6.2 pt20 -161.89 145.86 12.46 Favored 'General case' 0 CA--C 1.536 0.418 0 C-N-CA 126.039 1.736 . . . . 0.0 110.267 176.186 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 5' ' ' HIS . . . . . . . . . . . . . 35.6 m-70 -65.72 140.64 58.47 Favored 'General case' 0 N--CA 1.472 0.635 0 C-N-CA 123.785 0.834 . . . . 0.0 110.222 167.427 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 40.0 mt -134.69 129.17 34.36 Favored 'General case' 0 N--CA 1.469 0.516 0 C-N-CA 124.715 1.206 . . . . 0.0 111.369 -168.993 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 7' ' ' CYS . . . . . . . . . . . . . 80.0 m -138.1 148.97 45.52 Favored 'General case' 0 CA--C 1.539 0.541 0 C-N-CA 123.656 0.783 . . . . 0.0 112.145 -167.445 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 8' ' ' GLY . . . . . . . . . . . . . . . 54.16 -130.88 44.82 Favored Glycine 0 CA--C 1.536 1.348 0 C-N-CA 123.964 0.792 . . . . 0.0 113.871 173.898 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 9' ' ' SER . . . . . . . . . . . . . 12.6 t -60.5 -35.39 75.83 Favored 'General case' 0 N--CA 1.473 0.708 0 O-C-N 121.95 -0.735 . . . . 0.0 112.832 178.226 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 10' ' ' HIS . . . . . . . . . . . . . 31.3 m170 -63.96 -33.05 74.85 Favored 'General case' 0 N--CA 1.472 0.66 0 O-C-N 121.244 -0.91 . . . . 0.0 112.616 178.652 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 52.3 tp -69.07 -41.11 78.02 Favored 'General case' 0 CA--C 1.539 0.55 0 C-N-CA 124.241 1.016 . . . . 0.0 111.993 175.031 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 59.8 t -67.11 -40.93 86.37 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.781 0 C-N-CA 124.056 0.942 . . . . 0.0 111.23 176.29 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 52.2 mt-10 -66.43 -44.12 83.77 Favored 'General case' 0 N--CA 1.469 0.501 0 O-C-N 121.417 -0.802 . . . . 0.0 112.147 173.832 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -65.85 -36.03 82.31 Favored 'General case' 0 CA--C 1.538 0.486 0 N-CA-C 113.4 0.889 . . . . 0.0 113.4 -177.006 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 15' ' ' LEU . . . . . 0.42 ' HA ' HG12 ' B' ' 18' ' ' VAL . 3.3 pp -74.47 -32.71 62.66 Favored 'General case' 0 N--CA 1.471 0.59 0 CA-C-N 119.134 0.879 . . . . 0.0 111.517 177.83 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 16' ' ' TYR . . . . . . . . . . . . . 6.6 t80 -67.17 -41.17 86.42 Favored 'General case' 0 CA--C 1.542 0.656 0 C-N-CA 124.42 1.088 . . . . 0.0 111.186 172.699 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 47.6 mt -69.94 -46.22 65.77 Favored 'General case' 0 N--CA 1.466 0.37 0 C-N-CA 124.406 1.083 . . . . 0.0 112.426 178.61 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 18' ' ' VAL . . . . . 0.42 HG12 ' HA ' ' B' ' 15' ' ' LEU . 4.8 p -70.24 -27.76 33.2 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.855 0 O-C-N 121.492 -0.755 . . . . 0.0 111.928 -177.916 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 19' ' ' CYS . . . . . . . . . . . . . 37.6 t -82.0 -48.71 11.11 Favored 'General case' 0 CA--C 1.54 0.578 0 N-CA-C 113.593 0.96 . . . . 0.0 113.593 175.564 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.534 1.273 0 N-CA-C 115.631 1.012 . . . . 0.0 115.631 -171.545 . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 9.2 tt . . . . . 0 N--CA 1.479 0.988 0 N-CA-C 113.491 0.922 . . . . 0.0 113.491 . . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 31.4 t -62.33 138.19 22.96 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.625 0 C-N-CA 124.28 1.032 . . . . 0.0 110.222 171.994 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 44.9 mt-10 58.44 13.26 2.39 Favored 'General case' 0 N--CA 1.477 0.91 0 N-CA-C 115.701 1.741 . . . . 0.0 115.701 -168.79 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 66.1 mm-40 -104.67 -58.27 1.91 Allowed 'General case' 0 N--CA 1.473 0.688 0 C-N-CA 124.337 1.055 . . . . 0.0 110.473 163.1 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 13.9 t -79.61 -12.9 59.82 Favored 'General case' 0 CA--C 1.549 0.931 0 O-C-N 121.285 -0.884 . . . . 0.0 113.36 176.625 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 5.2 t -70.74 -14.78 62.57 Favored 'General case' 0 CA--C 1.551 1.017 0 O-C-N 120.19 -1.568 . . . . 0.0 112.902 171.341 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 6.1 t -128.66 -4.48 5.27 Favored 'General case' 0 N--CA 1.481 1.104 0 C-N-CA 125.587 1.555 . . . . 0.0 114.463 -176.511 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 90.9 p -145.43 157.52 44.0 Favored 'General case' 0 N--CA 1.472 0.63 0 C-N-CA 125.775 1.63 . . . . 0.0 111.229 173.609 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 48.3 mt -72.88 137.92 22.47 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.769 0 O-C-N 120.726 -1.233 . . . . 0.0 110.995 179.825 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 30.8 p -125.91 142.65 51.42 Favored 'General case' 0 CA--C 1.543 0.687 0 C-N-CA 124.545 1.138 . . . . 0.0 111.667 166.979 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 6.9 m -95.58 159.86 14.79 Favored 'General case' 0 N--CA 1.472 0.628 0 C-N-CA 125.685 1.594 . . . . 0.0 110.956 177.768 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 2.6 pt? -58.35 -31.38 67.55 Favored 'General case' 0 CA--C 1.544 0.735 0 O-C-N 121.09 -1.006 . . . . 0.0 113.357 177.46 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 26.8 m-85 -68.1 -25.12 65.16 Favored 'General case' 0 CA--C 1.542 0.662 0 C-N-CA 124.69 1.196 . . . . 0.0 113.363 174.685 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 44.3 mt-30 -84.54 -37.86 20.73 Favored 'General case' 0 N--CA 1.469 0.477 0 C-N-CA 124.888 1.275 . . . . 0.0 111.221 175.36 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 77.4 mt -54.32 -33.48 58.98 Favored 'General case' 0 CA--C 1.545 0.766 0 C-N-CA 124.156 0.982 . . . . 0.0 112.721 174.032 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 42.3 mt-10 -60.21 -24.82 65.13 Favored 'General case' 0 N--CA 1.473 0.692 0 N-CA-C 114.163 1.172 . . . . 0.0 114.163 175.144 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 81.8 m-20 -76.2 -20.98 56.99 Favored 'General case' 0 CA--C 1.543 0.69 0 O-C-N 121.315 -0.866 . . . . 0.0 112.633 176.623 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 96.1 m-85 -94.45 -34.87 12.56 Favored 'General case' 0 CA--C 1.539 0.521 0 C-N-CA 124.789 1.236 . . . . 0.0 113.126 -178.731 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 14.9 p -70.04 -29.89 67.02 Favored 'General case' 0 CA--C 1.542 0.671 0 N-CA-C 113.841 1.052 . . . . 0.0 113.841 -174.832 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 54.8 t-20 . . . . . 0 CA--C 1.541 0.622 0 C-N-CA 125.938 1.695 . . . . 0.0 111.444 -179.134 . . . . . . . . 0 0 . 1 . 014 nuclear build core ' B' B ' 1' ' ' PHE . . . . . . . . . . . . . 34.2 t80 . . . . . 0 CA--C 1.54 0.567 0 N-CA-C 111.937 0.347 . . . . 0.0 111.937 . . . . . . . . . 0 0 . 1 . 014 nuclear build core ' B' B ' 2' ' ' VAL . . . . . . . . . . . . . 18.0 m -135.7 135.69 50.91 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.792 0 C-N-CA 124.947 1.299 . . . . 0.0 110.224 167.561 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 3' ' ' ASN . . . . . . . . . . . . . 11.9 m-20 -61.97 140.5 58.33 Favored 'General case' 0 N--CA 1.466 0.329 0 CA-C-O 121.634 0.731 . . . . 0.0 112.559 -178.339 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 4' ' ' GLN . . . . . . . . . . . . . 6.7 pt20 -166.33 164.66 17.55 Favored 'General case' 0 CA--C 1.537 0.453 0 C-N-CA 126.05 1.74 . . . . 0.0 109.757 179.993 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 5' ' ' HIS . . . . . . . . . . . . . 24.3 m-70 -72.04 74.37 0.91 Allowed 'General case' 0 CA--C 1.546 0.813 0 C-N-CA 125.381 1.473 . . . . 0.0 110.96 168.098 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 70.9 mt -63.2 137.2 58.14 Favored 'General case' 0 N--CA 1.472 0.658 0 C-N-CA 124.344 1.058 . . . . 0.0 111.756 -179.03 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 7' ' ' CYS . . . . . . . . . . . . . 8.4 t -148.84 159.05 44.53 Favored 'General case' 0 CA--C 1.541 0.629 0 C-N-CA 123.277 0.631 . . . . 0.0 112.681 -178.437 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 8' ' ' GLY . . . . . . . . . . . . . . . 56.73 -137.37 48.61 Favored Glycine 0 CA--C 1.532 1.144 0 C-N-CA 124.455 1.026 . . . . 0.0 113.422 176.051 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 9' ' ' SER . . . . . . . . . . . . . 20.2 m -58.53 -33.17 69.57 Favored 'General case' 0 N--CA 1.471 0.602 0 C-N-CA 123.767 0.827 . . . . 0.0 113.12 178.971 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 10' ' ' HIS . . . . . . . . . . . . . 27.9 m-70 -66.78 -37.6 84.89 Favored 'General case' 0 N--CA 1.473 0.711 0 CA-C-N 118.853 0.751 . . . . 0.0 112.021 179.104 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 48.2 tp -66.0 -43.82 86.6 Favored 'General case' 0 CA--C 1.537 0.463 0 C-N-CA 124.176 0.99 . . . . 0.0 112.085 175.468 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 92.2 t -67.71 -44.37 85.93 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.704 0 C-N-CA 123.848 0.859 . . . . 0.0 111.074 178.455 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 39.1 mt-10 -65.34 -39.73 92.75 Favored 'General case' 0 N--CA 1.468 0.459 0 O-C-N 121.61 -0.681 . . . . 0.0 112.152 176.881 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -63.67 -39.61 94.76 Favored 'General case' 0 CA--C 1.542 0.638 0 CA-C-N 119.169 0.895 . . . . 0.0 113.006 -179.358 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 15' ' ' LEU . . . . . 0.432 ' HA ' HG12 ' B' ' 18' ' ' VAL . 3.7 pp -79.17 -31.57 43.96 Favored 'General case' 0 N--CA 1.469 0.523 0 O-C-N 121.761 -0.587 . . . . 0.0 111.908 179.163 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 16' ' ' TYR . . . . . . . . . . . . . 4.6 t80 -63.11 -39.65 95.33 Favored 'General case' 0 CA--C 1.538 0.487 0 C-N-CA 123.91 0.884 . . . . 0.0 111.556 170.146 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 36.9 mt -70.9 -51.18 27.72 Favored 'General case' 0 N--CA 1.465 0.287 0 C-N-CA 123.63 0.772 . . . . 0.0 111.9 179.961 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 18' ' ' VAL . . . . . 0.432 HG12 ' HA ' ' B' ' 15' ' ' LEU . 9.1 p -65.2 -31.89 55.86 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.798 0 N-CA-C 112.152 0.427 . . . . 0.0 112.152 -174.492 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 19' ' ' CYS . . . . . . . . . . . . . 73.8 m -92.33 -26.15 18.23 Favored 'General case' 0 CA--C 1.543 0.699 0 N-CA-C 114.115 1.154 . . . . 0.0 114.115 178.616 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.537 1.431 0 C-N-CA 124.774 1.178 . . . . 0.0 114.84 178.778 . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 2' ' ' ILE . . . . . 0.472 HD13 ' CE2' ' A' ' 19' ' ' TYR . 6.0 tp . . . . . 0 N--CA 1.48 1.066 0 N-CA-C 112.886 0.699 . . . . 0.0 112.886 . . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 24.6 t -66.54 138.92 22.03 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.734 0 C-N-CA 124.163 0.985 . . . . 0.0 110.582 173.647 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 44.6 mt-10 56.2 24.17 7.81 Favored 'General case' 0 N--CA 1.477 0.883 0 C-N-CA 125.669 1.588 . . . . 0.0 114.669 -169.15 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 21.9 mm-40 -116.21 -57.9 2.16 Favored 'General case' 0 N--CA 1.471 0.588 0 C-N-CA 124.499 1.119 . . . . 0.0 110.635 162.682 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 14.7 t -79.76 -10.36 59.78 Favored 'General case' 0 CA--C 1.549 0.911 0 N-CA-C 113.789 1.033 . . . . 0.0 113.789 179.368 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 21.5 t -83.47 -7.59 59.52 Favored 'General case' 0 CA--C 1.551 0.992 0 O-C-N 120.772 -1.205 . . . . 0.0 113.136 171.703 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 8.2 t -123.59 -17.72 6.36 Favored 'General case' 0 N--CA 1.483 1.176 0 C-N-CA 124.982 1.313 . . . . 0.0 114.346 176.561 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 71.1 m -134.98 156.98 48.09 Favored 'General case' 0 N--CA 1.473 0.707 0 C-N-CA 126.259 1.824 . . . . 0.0 110.741 174.195 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 67.1 mt -69.01 141.7 17.08 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.881 0 O-C-N 120.918 -1.114 . . . . 0.0 110.631 176.457 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 19.5 p -131.66 151.71 51.41 Favored 'General case' 0 CA--C 1.542 0.654 0 C-N-CA 124.051 0.94 . . . . 0.0 112.704 168.891 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 70.5 m -107.72 166.81 10.41 Favored 'General case' 0 N--CA 1.474 0.725 0 C-N-CA 126.064 1.746 . . . . 0.0 112.753 178.835 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 92.7 mt -47.06 -45.6 21.85 Favored 'General case' 0 N--CA 1.474 0.754 0 C-N-CA 125.883 1.673 . . . . 0.0 112.078 176.96 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 39.8 m-85 -67.78 -29.65 68.89 Favored 'General case' 0 CA--C 1.538 0.505 0 C-N-CA 124.834 1.254 . . . . 0.0 112.818 -176.494 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 46.5 mt-30 -77.01 -42.26 39.38 Favored 'General case' 0 N--CA 1.464 0.235 0 C-N-CA 123.767 0.827 . . . . 0.0 110.596 176.814 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 85.6 mt -57.98 -39.91 79.38 Favored 'General case' 0 CA--C 1.542 0.642 0 C-N-CA 123.534 0.734 . . . . 0.0 112.009 174.389 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 44.1 mt-10 -61.61 -28.01 69.06 Favored 'General case' 0 N--CA 1.473 0.697 0 N-CA-C 113.702 1.001 . . . . 0.0 113.702 174.042 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 13.5 m-80 -73.1 -22.89 60.48 Favored 'General case' 0 CA--C 1.543 0.697 0 CA-C-N 119.328 0.967 . . . . 0.0 112.941 175.279 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 19' ' ' TYR . . . . . 0.472 ' CE2' HD13 ' A' ' 2' ' ' ILE . 98.5 m-85 -79.75 -34.27 40.01 Favored 'General case' 0 N--CA 1.473 0.69 0 CA-C-N 119.114 0.87 . . . . 0.0 111.983 169.784 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 85.5 m -69.38 -35.95 76.32 Favored 'General case' 0 CA--C 1.543 0.685 0 C-N-CA 123.791 0.836 . . . . 0.0 112.677 174.218 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 47.9 t30 . . . . . 0 CA--C 1.547 0.833 0 C-N-CA 127.474 2.309 . . . . 0.0 113.859 175.848 . . . . . . . . 0 0 . 1 . 015 nuclear build core ' B' B ' 1' ' ' PHE . . . . . . . . . . . . . 21.7 t80 . . . . . 0 CA--C 1.538 0.493 0 CA-C-O 120.777 0.322 . . . . 0.0 111.865 . . . . . . . . . 0 0 . 1 . 015 nuclear build core ' B' B ' 2' ' ' VAL . . . . . . . . . . . . . 25.1 m -136.7 144.44 32.5 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.818 0 C-N-CA 125.22 1.408 . . . . 0.0 109.85 166.64 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 3' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -49.8 125.41 11.69 Favored 'General case' 0 N--CA 1.47 0.564 0 C-N-CA 123.694 0.798 . . . . 0.0 113.008 177.592 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 4' ' ' GLN . . . . . . . . . . . . . 7.2 pt20 -162.39 152.62 16.67 Favored 'General case' 0 CA--C 1.534 0.364 0 C-N-CA 125.184 1.394 . . . . 0.0 110.286 177.956 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 5' ' ' HIS . . . . . . . . . . . . . 28.5 m-70 -67.68 143.73 55.82 Favored 'General case' 0 CA--C 1.541 0.63 0 C-N-CA 124.103 0.961 . . . . 0.0 109.819 161.072 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 66.5 mt -136.65 135.93 38.7 Favored 'General case' 0 N--CA 1.471 0.61 0 C-N-CA 125.251 1.42 . . . . 0.0 110.835 -175.54 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 7' ' ' CYS . . . . . . . . . . . . . 79.6 m -136.77 152.89 50.82 Favored 'General case' 0 CA--C 1.54 0.578 0 C-N-CA 124.595 1.158 . . . . 0.0 111.89 -172.302 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 8' ' ' GLY . . . . . . . . . . . . . . . 51.89 -129.05 34.47 Favored Glycine 0 CA--C 1.536 1.356 0 C-N-CA 124.101 0.858 . . . . 0.0 114.218 170.09 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 9' ' ' SER . . . . . . . . . . . . . 8.0 t -58.83 -39.88 82.51 Favored 'General case' 0 N--CA 1.472 0.657 0 C-N-CA 123.465 0.706 . . . . 0.0 112.425 178.493 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 10' ' ' HIS . . . . . . . . . . . . . 32.5 m170 -61.17 -35.51 77.33 Favored 'General case' 0 N--CA 1.473 0.713 0 O-C-N 121.4 -0.813 . . . . 0.0 112.529 178.944 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 40.3 tp -70.71 -43.45 68.96 Favored 'General case' 0 CA--C 1.537 0.454 0 C-N-CA 124.004 0.922 . . . . 0.0 112.243 176.857 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 85.0 t -65.19 -43.65 95.44 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.727 0 C-N-CA 123.695 0.798 . . . . 0.0 110.874 176.018 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 33.4 mt-10 -64.35 -41.72 96.6 Favored 'General case' 0 N--CA 1.47 0.535 0 C-N-CA 124.309 1.044 . . . . 0.0 112.055 177.856 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -62.79 -39.84 95.49 Favored 'General case' 0 CA--C 1.541 0.617 0 O-C-N 121.559 -0.713 . . . . 0.0 112.76 179.199 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 15' ' ' LEU . . . . . 0.404 ' HA ' HG12 ' B' ' 18' ' ' VAL . 3.9 pp -79.63 -34.33 40.64 Favored 'General case' 0 N--CA 1.468 0.463 0 CA-C-N 118.267 0.485 . . . . 0.0 111.602 179.08 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 16' ' ' TYR . . . . . . . . . . . . . 4.8 t80 -58.56 -39.01 79.05 Favored 'General case' 0 CA--C 1.54 0.578 0 C-N-CA 123.999 0.92 . . . . 0.0 111.966 171.428 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 36.5 mt -70.85 -50.08 39.18 Favored 'General case' 0 N--CA 1.465 0.319 0 C-N-CA 123.33 0.652 . . . . 0.0 112.3 -178.819 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 18' ' ' VAL . . . . . 0.404 HG12 ' HA ' ' B' ' 15' ' ' LEU . 10.5 p -71.39 -32.99 48.48 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.66 0 C-N-CA 123.254 0.621 . . . . 0.0 112.507 -176.156 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 19' ' ' CYS . . . . . . . . . . . . . 81.6 m -90.77 -26.26 19.56 Favored 'General case' 0 CA--C 1.543 0.69 0 N-CA-C 113.346 0.869 . . . . 0.0 113.346 -178.53 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.537 1.42 0 C-N-CA 125.281 1.419 . . . . 0.0 114.876 174.668 . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 10.2 tt . . . . . 0 N--CA 1.477 0.911 0 N-CA-C 115.268 1.581 . . . . 0.0 115.268 . . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 7.1 p -71.04 -39.82 75.14 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.958 0 CA-C-N 119.092 0.86 . . . . 0.0 112.67 -174.953 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 47.3 mt-10 -76.83 -6.7 53.4 Favored 'General case' 0 N--CA 1.474 0.758 0 N-CA-C 113.734 1.012 . . . . 0.0 113.734 176.174 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 40.7 mt-30 -90.24 -57.31 2.89 Favored 'General case' 0 CA--C 1.538 0.486 0 C-N-CA 124.492 1.117 . . . . 0.0 110.527 164.013 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 76.4 m -110.54 36.1 3.22 Favored 'General case' 0 CA--C 1.545 0.771 0 N-CA-C 114.66 1.355 . . . . 0.0 114.66 -168.22 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 45.0 t -110.82 -18.36 13.13 Favored 'General case' 0 CA--C 1.552 1.049 0 O-C-N 121.323 -0.861 . . . . 0.0 112.904 146.085 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 6.2 t -114.4 -21.68 10.25 Favored 'General case' 0 N--CA 1.483 1.206 0 N-CA-C 114.837 1.421 . . . . 0.0 114.837 -171.242 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 58.2 m -131.11 162.16 30.5 Favored 'General case' 0 N--CA 1.475 0.788 0 C-N-CA 125.652 1.581 . . . . 0.0 111.69 175.832 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 14.0 mt -61.56 130.0 25.2 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.711 0 C-N-CA 123.759 0.823 . . . . 0.0 111.268 176.061 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -90.74 165.65 13.56 Favored 'General case' 0 CA--C 1.539 0.522 0 C-N-CA 124.98 1.312 . . . . 0.0 111.506 173.365 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 76.5 p -126.15 162.42 25.42 Favored 'General case' 0 N--CA 1.469 0.503 0 C-N-CA 124.331 1.053 . . . . 0.0 111.839 168.077 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 1.7 pt? -53.63 -32.42 51.27 Favored 'General case' 0 CA--C 1.534 0.332 0 C-N-CA 123.071 0.548 . . . . 0.0 112.423 165.476 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 28.2 m-85 -69.5 -39.55 77.53 Favored 'General case' 0 CA--C 1.537 0.453 0 C-N-CA 122.943 0.497 . . . . 0.0 111.522 178.639 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 40.5 mt-30 -67.2 -45.29 77.31 Favored 'General case' 0 N--CA 1.47 0.538 0 O-C-N 121.361 -0.837 . . . . 0.0 110.873 173.995 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 74.8 mt -60.74 -36.97 80.21 Favored 'General case' 0 CA--C 1.543 0.7 0 C-N-CA 123.762 0.825 . . . . 0.0 112.278 177.418 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 30.5 mt-10 -65.68 -37.46 86.57 Favored 'General case' 0 CA--C 1.543 0.694 0 C-N-CA 124.219 1.008 . . . . 0.0 112.656 173.054 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 20.6 m-80 -66.08 -36.4 83.09 Favored 'General case' 0 CA--C 1.54 0.587 0 O-C-N 121.233 -0.917 . . . . 0.0 111.995 172.452 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 20.8 m-85 -72.73 -40.21 66.27 Favored 'General case' 0 CA--C 1.538 0.481 0 N-CA-C 112.807 0.669 . . . . 0.0 112.807 179.473 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 13.6 p -74.21 -38.28 63.63 Favored 'General case' 0 CA--C 1.543 0.68 0 N-CA-C 112.789 0.662 . . . . 0.0 112.789 -177.343 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 49.6 t30 . . . . . 0 CA--C 1.549 0.915 0 C-N-CA 127.34 2.256 . . . . 0.0 113.504 178.468 . . . . . . . . 0 0 . 1 . 016 nuclear build core ' B' B ' 1' ' ' PHE . . . . . . . . . . . . . 64.5 t80 . . . . . 0 CA--C 1.541 0.632 0 N-CA-C 112.368 0.507 . . . . 0.0 112.368 . . . . . . . . . 0 0 . 1 . 016 nuclear build core ' B' B ' 2' ' ' VAL . . . . . . . . . . . . . 21.1 m -134.83 139.24 47.86 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.741 0 C-N-CA 125.137 1.375 . . . . 0.0 110.383 167.411 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 3' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -51.06 130.45 25.89 Favored 'General case' 0 N--CA 1.47 0.561 0 C-N-CA 124.326 1.051 . . . . 0.0 113.783 -179.628 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 4' ' ' GLN . . . . . . . . . . . . . 8.3 pt20 -162.41 151.08 14.87 Favored 'General case' 0 CA--C 1.537 0.473 0 C-N-CA 125.298 1.439 . . . . 0.0 110.991 178.637 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 5' ' ' HIS . . . . . . . . . . . . . 48.6 m-70 -66.17 -38.7 88.7 Favored 'General case' 0 N--CA 1.476 0.872 0 N-CA-C 114.807 1.41 . . . . 0.0 114.807 -178.372 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 41.0 mt 56.29 179.62 0.04 OUTLIER 'General case' 0 CA--C 1.553 1.068 0 C-N-CA 126.028 1.731 . . . . 0.0 112.662 -167.009 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 7' ' ' CYS . . . . . . . . . . . . . 12.9 t -162.53 -179.63 7.06 Favored 'General case' 0 CA--C 1.549 0.908 0 C-N-CA 126.401 1.881 . . . . 0.0 109.189 160.851 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 8' ' ' GLY . . . . . . . . . . . . . . . -48.61 147.5 5.14 Favored Glycine 0 CA--C 1.531 1.055 0 C-N-CA 125.149 1.357 . . . . 0.0 116.222 -177.204 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 9' ' ' SER . . . . . . . . . . . . . 52.8 p 59.03 -35.86 0.06 Allowed 'General case' 0 N--CA 1.479 0.986 0 C-N-CA 128.853 2.861 . . . . 0.0 115.464 -165.803 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 10' ' ' HIS . . . . . . . . . . . . . 26.9 m-70 -73.5 -36.88 65.82 Favored 'General case' 0 N--CA 1.479 0.987 0 O-C-N 121.223 -0.923 . . . . 0.0 110.921 174.387 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 48.3 tp -63.72 -34.62 78.28 Favored 'General case' 0 CA--C 1.542 0.64 0 C-N-CA 127.769 2.428 . . . . 0.0 112.459 171.525 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 40.9 t -72.43 -38.61 61.01 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.859 0 C-N-CA 124.021 0.928 . . . . 0.0 110.843 175.574 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 43.4 mt-10 -66.53 -40.55 89.17 Favored 'General case' 0 CA--C 1.539 0.553 0 O-C-N 121.317 -0.864 . . . . 0.0 112.022 170.226 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -61.19 -40.67 94.81 Favored 'General case' 0 CA--C 1.542 0.656 0 O-C-N 121.281 -0.887 . . . . 0.0 113.011 -179.627 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 3.9 pp -75.4 -34.5 61.08 Favored 'General case' 0 N--CA 1.47 0.544 0 O-C-N 121.709 -0.62 . . . . 0.0 112.064 177.795 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 16' ' ' TYR . . . . . . . . . . . . . 1.0 OUTLIER -61.96 -40.51 95.83 Favored 'General case' 0 CA--C 1.54 0.571 0 C-N-CA 123.414 0.686 . . . . 0.0 111.414 171.792 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 38.2 mt -70.31 -46.17 64.77 Favored 'General case' 0 CA--C 1.533 0.294 0 C-N-CA 123.874 0.87 . . . . 0.0 112.587 -178.445 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 18' ' ' VAL . . . . . . . . . . . . . 9.7 p -74.59 -27.37 20.87 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.745 0 N-CA-C 112.865 0.691 . . . . 0.0 112.865 -175.423 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 19' ' ' CYS . . . . . . . . . . . . . 78.8 m -99.29 -27.13 13.92 Favored 'General case' 0 CA--C 1.541 0.605 0 N-CA-C 114.651 1.352 . . . . 0.0 114.651 -179.807 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.538 1.497 0 C-N-CA 124.888 1.233 . . . . 0.0 114.724 -170.197 . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 15.9 tt . . . . . 0 N--CA 1.479 0.988 0 N-CA-C 112.875 0.695 . . . . 0.0 112.875 . . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 42.4 t -67.25 146.78 12.92 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.7 0 C-N-CA 124.299 1.04 . . . . 0.0 109.727 164.097 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 43.9 mt-10 61.37 7.15 1.62 Allowed 'General case' 0 N--CA 1.482 1.134 0 C-N-CA 125.91 1.684 . . . . 0.0 115.478 -164.986 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 1.7 mp0 -113.74 -42.93 3.35 Favored 'General case' 0 N--CA 1.475 0.784 0 C-N-CA 125.365 1.466 . . . . 0.0 112.293 167.817 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 75.7 m -98.92 -24.9 14.78 Favored 'General case' 0 N--CA 1.476 0.845 0 N-CA-C 113.64 0.978 . . . . 0.0 113.64 177.256 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 65.3 m -71.05 -5.67 33.13 Favored 'General case' 0 CA--C 1.55 0.95 0 O-C-N 121.128 -0.982 . . . . 0.0 113.007 173.682 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 45.3 p -133.05 -26.54 1.71 Allowed 'General case' 0 N--CA 1.476 0.856 0 C-N-CA 126.693 1.997 . . . . 0.0 113.351 -160.787 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 66.0 m -139.3 156.71 46.85 Favored 'General case' 0 N--CA 1.47 0.566 0 C-N-CA 127.769 2.428 . . . . 0.0 109.409 170.789 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 11.7 mt -64.05 140.54 19.51 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.791 0 O-C-N 121.15 -0.969 . . . . 0.0 111.297 179.751 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 61.8 m -121.16 104.76 10.0 Favored 'General case' 0 CA--C 1.538 0.509 0 C-N-CA 124.771 1.229 . . . . 0.0 111.413 172.885 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 49.6 m -75.36 169.52 17.9 Favored 'General case' 0 N--CA 1.473 0.703 0 C-N-CA 125.507 1.523 . . . . 0.0 111.891 171.698 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 88.8 mt -46.59 -46.06 19.33 Favored 'General case' 0 N--CA 1.474 0.74 0 C-N-CA 124.563 1.145 . . . . 0.0 111.589 173.989 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 54.9 m-85 -67.39 -21.35 65.6 Favored 'General case' 0 CA--C 1.541 0.623 0 C-N-CA 125.19 1.396 . . . . 0.0 114.183 -176.985 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 42.9 mt-30 -87.73 -46.95 9.03 Favored 'General case' 0 N--CA 1.469 0.512 0 C-N-CA 125.277 1.431 . . . . 0.0 110.524 173.617 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 96.2 mt -60.16 -29.68 68.82 Favored 'General case' 0 CA--C 1.546 0.809 0 C-N-CA 124.792 1.237 . . . . 0.0 113.08 176.605 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 26.1 mt-10 -54.87 -31.89 60.17 Favored 'General case' 0 N--CA 1.474 0.754 0 C-N-CA 125.0 1.32 . . . . 0.0 114.024 171.559 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 51.4 m-80 -69.6 -30.89 68.75 Favored 'General case' 0 N--CA 1.472 0.672 0 CA-C-N 119.487 1.039 . . . . 0.0 111.944 178.547 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 74.8 m-85 -81.46 -25.9 35.7 Favored 'General case' 0 CA--C 1.541 0.612 0 C-N-CA 124.01 0.924 . . . . 0.0 112.559 175.537 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 39.0 t -67.72 -45.68 74.37 Favored 'General case' 0 CA--C 1.543 0.702 0 C-N-CA 123.874 0.87 . . . . 0.0 111.733 166.414 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 50.7 t-20 . . . . . 0 CA--C 1.542 0.639 0 C-N-CA 125.262 1.425 . . . . 0.0 111.409 178.903 . . . . . . . . 0 0 . 1 . 017 nuclear build core ' B' B ' 1' ' ' PHE . . . . . . . . . . . . . 36.1 t80 . . . . . 0 CA--C 1.54 0.559 0 CA-C-O 121.125 0.488 . . . . 0.0 112.263 . . . . . . . . . 0 0 . 1 . 017 nuclear build core ' B' B ' 2' ' ' VAL . . . . . . . . . . . . . 59.8 t -132.95 123.02 47.6 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.659 0 C-N-CA 125.854 1.661 . . . . 0.0 107.286 165.787 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 3' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -67.68 153.7 43.13 Favored 'General case' 0 CA--C 1.539 0.544 0 N-CA-C 114.761 1.393 . . . . 0.0 114.761 -172.303 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 4' ' ' GLN . . . . . . . . . . . . . 10.3 pt20 -154.44 -157.56 0.77 Allowed 'General case' 0 CA--C 1.542 0.649 0 C-N-CA 128.806 2.842 . . . . 0.0 106.102 166.83 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 5' ' ' HIS . . . . . . . . . . . . . 22.1 m-70 -81.48 74.56 8.47 Favored 'General case' 0 C--N 1.32 -0.679 0 C-N-CA 125.686 1.595 . . . . 0.0 110.679 175.743 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -65.87 139.31 58.28 Favored 'General case' 0 N--CA 1.472 0.666 0 O-C-N 121.61 -0.681 . . . . 0.0 112.085 -172.017 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 7' ' ' CYS . . . . . . . . . . . . . 2.5 t -147.34 152.05 37.57 Favored 'General case' 0 CA--C 1.54 0.596 0 C-N-CA 123.596 0.758 . . . . 0.0 111.771 177.534 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 8' ' ' GLY . . . . . . . . . . . . . . . 55.11 -129.51 45.9 Favored Glycine 0 CA--C 1.535 1.296 0 C-N-CA 123.925 0.774 . . . . 0.0 113.339 -179.388 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 9' ' ' SER . . . . . . . . . . . . . 18.4 m -56.93 -37.49 71.56 Favored 'General case' 0 N--CA 1.472 0.643 0 C-N-CA 124.759 1.224 . . . . 0.0 113.419 178.49 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 10' ' ' HIS . . . . . . . . . . . . . 28.0 m80 -66.55 -30.34 70.62 Favored 'General case' 0 N--CA 1.471 0.589 0 O-C-N 121.121 -0.987 . . . . 0.0 112.136 177.111 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -72.23 -50.59 26.17 Favored 'General case' 0 CA--C 1.536 0.404 0 C-N-CA 124.331 1.052 . . . . 0.0 111.201 174.631 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 1.3 p -67.06 -36.81 77.99 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.647 0 N-CA-C 112.187 0.44 . . . . 0.0 112.187 -175.011 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 40.9 mt-10 -68.75 -40.84 79.59 Favored 'General case' 0 CA--C 1.538 0.515 0 O-C-N 121.603 -0.686 . . . . 0.0 112.289 173.546 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -64.71 -38.72 91.95 Favored 'General case' 0 CA--C 1.54 0.594 0 O-C-N 121.267 -0.896 . . . . 0.0 112.719 179.044 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 2.1 pp -76.17 -34.25 59.35 Favored 'General case' 0 N--CA 1.469 0.479 0 O-C-N 121.734 -0.604 . . . . 0.0 111.237 177.455 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 16' ' ' TYR . . . . . . . . . . . . . 2.2 t80 -60.14 -39.4 86.17 Favored 'General case' 0 CA--C 1.54 0.585 0 C-N-CA 123.656 0.782 . . . . 0.0 111.926 172.399 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 34.1 mt -67.05 -47.2 72.07 Favored 'General case' 0 N--CA 1.465 0.32 0 C-N-CA 123.356 0.662 . . . . 0.0 111.447 -178.038 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 18' ' ' VAL . . . . . . . . . . . . . 7.9 p -72.88 -31.63 36.83 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.605 0 N-CA-C 112.672 0.619 . . . . 0.0 112.672 178.79 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 19' ' ' CYS . . . . . . . . . . . . . 4.2 t -76.51 -25.77 54.53 Favored 'General case' 0 CA--C 1.544 0.734 0 O-C-N 121.647 -0.658 . . . . 0.0 112.687 177.809 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.541 1.682 0 C-N-CA 124.93 1.252 . . . . 0.0 114.358 165.108 . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 15.2 tt . . . . . 0 N--CA 1.476 0.869 0 N-CA-C 114.145 1.165 . . . . 0.0 114.145 . . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 8.3 p -62.6 -44.94 99.83 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.955 0 O-C-N 121.422 -0.799 . . . . 0.0 112.485 -168.419 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 12.3 pt-20 -69.38 -17.59 63.69 Favored 'General case' 0 CA--C 1.548 0.873 0 N-CA-C 113.776 1.028 . . . . 0.0 113.776 176.357 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -88.86 -29.0 19.99 Favored 'General case' 0 N--CA 1.47 0.543 0 C-N-CA 125.181 1.393 . . . . 0.0 113.002 176.828 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 95.0 m -113.65 -30.55 6.77 Favored 'General case' 0 CA--C 1.543 0.688 0 N-CA-C 114.726 1.38 . . . . 0.0 114.726 -172.819 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 14.9 t -82.61 -27.78 31.23 Favored 'General case' 0 N--CA 1.474 0.759 0 CA-C-N 119.663 1.119 . . . . 0.0 113.182 -169.291 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 6.6 t -109.25 -14.6 14.45 Favored 'General case' 0 N--CA 1.48 1.065 0 C-N-CA 125.404 1.482 . . . . 0.0 113.874 -177.679 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 61.3 p -149.78 165.52 32.22 Favored 'General case' 0 N--CA 1.471 0.579 0 C-N-CA 126.173 1.789 . . . . 0.0 111.385 179.54 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 35.7 mt -66.69 137.65 24.44 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.819 0 O-C-N 121.357 -0.839 . . . . 0.0 111.401 -178.061 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 14.6 p -130.58 156.89 44.09 Favored 'General case' 0 CA--C 1.542 0.653 0 C-N-CA 124.327 1.051 . . . . 0.0 112.345 169.881 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 66.1 m -118.84 164.86 14.78 Favored 'General case' 0 N--CA 1.475 0.814 0 C-N-CA 124.664 1.186 . . . . 0.0 113.912 -164.231 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 81.1 mt -51.31 -40.29 58.69 Favored 'General case' 0 N--CA 1.474 0.765 0 C-N-CA 125.752 1.621 . . . . 0.0 112.709 -178.78 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 53.5 m-85 -63.1 -31.32 72.44 Favored 'General case' 0 CA--C 1.54 0.587 0 C-N-CA 124.235 1.014 . . . . 0.0 112.994 179.961 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 39.8 mt-30 -80.36 -43.57 20.89 Favored 'General case' 0 N--CA 1.468 0.451 0 C-N-CA 124.5 1.12 . . . . 0.0 110.422 174.585 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 67.6 mt -60.42 -35.88 76.84 Favored 'General case' 0 CA--C 1.544 0.726 0 C-N-CA 124.415 1.086 . . . . 0.0 112.808 179.553 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 42.0 mt-10 -63.6 -41.42 98.33 Favored 'General case' 0 N--CA 1.474 0.768 0 O-C-N 121.283 -0.886 . . . . 0.0 112.644 169.607 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 85.8 m-20 -68.09 -32.75 73.29 Favored 'General case' 0 CA--C 1.542 0.668 0 O-C-N 121.583 -0.698 . . . . 0.0 112.189 179.637 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 25.6 m-85 -70.97 -29.44 65.44 Favored 'General case' 0 N--CA 1.47 0.571 0 N-CA-C 112.825 0.676 . . . . 0.0 112.825 173.057 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 35.2 t -72.35 -43.86 63.45 Favored 'General case' 0 CA--C 1.545 0.76 0 O-C-N 121.669 -0.645 . . . . 0.0 111.872 171.368 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 50.6 t-20 . . . . . 0 CA--C 1.542 0.641 0 C-N-CA 125.153 1.381 . . . . 0.0 111.473 179.556 . . . . . . . . 0 0 . 1 . 018 nuclear build core ' B' B ' 1' ' ' PHE . . . . . . . . . . . . . 33.3 t80 . . . . . 0 CA--C 1.539 0.528 0 N-CA-C 112.013 0.375 . . . . 0.0 112.013 . . . . . . . . . 0 0 . 1 . 018 nuclear build core ' B' B ' 2' ' ' VAL . . . . . . . . . . . . . 17.3 m -135.03 139.23 47.64 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.771 0 C-N-CA 125.309 1.444 . . . . 0.0 109.326 163.524 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 3' ' ' ASN . . . . . . . . . . . . . 40.8 p30 -63.97 150.1 45.88 Favored 'General case' 0 CA--C 1.533 0.296 0 CA-C-O 123.144 1.45 . . . . 0.0 113.267 176.274 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 4' ' ' GLN . . . . . . . . . . . . . 7.4 pt20 -167.52 166.79 14.04 Favored 'General case' 0 N--CA 1.444 -0.739 0 C-N-CA 127.521 2.328 . . . . 0.0 108.005 -170.742 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 5' ' ' HIS . . . . . . . . . . . . . 16.7 m80 -63.38 132.27 50.95 Favored 'General case' 0 C--N 1.321 -0.666 0 C-N-CA 125.572 1.549 . . . . 0.0 109.257 164.19 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 63.5 mt -138.02 128.34 26.16 Favored 'General case' 0 N--CA 1.467 0.422 0 C-N-CA 125.309 1.444 . . . . 0.0 110.787 -172.023 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 7' ' ' CYS . . . . . . . . . . . . . 1.8 t -152.61 160.76 43.18 Favored 'General case' 0 CA--C 1.542 0.635 0 C-N-CA 123.319 0.648 . . . . 0.0 112.166 -179.196 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 8' ' ' GLY . . . . . . . . . . . . . . . 58.72 -135.82 51.64 Favored Glycine 0 CA--C 1.536 1.369 0 C-N-CA 123.704 0.669 . . . . 0.0 113.09 -179.416 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 9' ' ' SER . . . . . . . . . . . . . 9.6 t -59.74 -37.78 79.9 Favored 'General case' 0 N--CA 1.474 0.728 0 O-C-N 121.965 -0.727 . . . . 0.0 112.424 177.984 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 10' ' ' HIS . . . . . . . . . . . . . 33.5 m80 -60.57 -36.18 77.88 Favored 'General case' 0 N--CA 1.473 0.712 0 O-C-N 121.513 -0.742 . . . . 0.0 112.631 179.47 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 47.2 tp -67.46 -42.33 83.21 Favored 'General case' 0 CA--C 1.536 0.426 0 C-N-CA 124.186 0.995 . . . . 0.0 112.507 175.947 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 68.8 t -67.61 -42.91 87.14 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.672 0 C-N-CA 123.803 0.841 . . . . 0.0 110.732 176.428 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 33.5 mt-10 -64.31 -42.01 96.56 Favored 'General case' 0 CA--C 1.537 0.478 0 C-N-CA 124.311 1.044 . . . . 0.0 111.995 177.021 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -63.62 -38.71 92.14 Favored 'General case' 0 CA--C 1.539 0.541 0 O-C-N 121.402 -0.811 . . . . 0.0 113.169 -179.92 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 3.9 pp -78.89 -31.85 45.58 Favored 'General case' 0 N--CA 1.47 0.531 0 CA-C-N 118.559 0.618 . . . . 0.0 111.945 177.151 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 16' ' ' TYR . . . . . . . . . . . . . 3.0 t80 -62.82 -40.1 96.37 Favored 'General case' 0 CA--C 1.539 0.549 0 C-N-CA 123.796 0.838 . . . . 0.0 111.861 171.454 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 30.0 mt -68.86 -45.68 70.44 Favored 'General case' 0 N--CA 1.467 0.4 0 C-N-CA 123.715 0.806 . . . . 0.0 111.846 -176.899 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 18' ' ' VAL . . . . . . . . . . . . . 10.6 p -73.26 -33.78 42.23 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.609 0 C-N-CA 122.932 0.493 . . . . 0.0 112.258 -179.926 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 19' ' ' CYS . . . . . . . . . . . . . 9.2 t -81.11 -31.63 34.19 Favored 'General case' 0 CA--C 1.541 0.629 0 N-CA-C 112.814 0.672 . . . . 0.0 112.814 -178.436 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.536 1.384 0 C-N-CA 125.222 1.392 . . . . 0.0 115.167 175.218 . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 6.2 tp . . . . . 0 N--CA 1.479 1.008 0 N-CA-C 114.465 1.283 . . . . 0.0 114.465 . . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 8.3 t -71.14 -54.52 17.23 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.01 0 O-C-N 121.169 -0.957 . . . . 0.0 111.279 -176.444 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 24.3 pt-20 -68.42 -9.39 48.15 Favored 'General case' 0 CA--C 1.542 0.665 0 C-N-CA 125.203 1.401 . . . . 0.0 113.992 -179.353 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 42.2 mt-30 -98.42 -42.62 7.26 Favored 'General case' 0 CA--C 1.54 0.562 0 C-N-CA 124.776 1.23 . . . . 0.0 112.304 172.696 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 78.2 m -99.32 -11.51 21.17 Favored 'General case' 0 CA--C 1.544 0.729 0 N-CA-C 115.97 1.841 . . . . 0.0 115.97 -175.47 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 43.2 t -90.68 -25.1 20.24 Favored 'General case' 0 N--CA 1.477 0.916 0 CA-C-N 119.835 1.198 . . . . 0.0 112.635 175.477 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 12.0 t -80.5 -31.5 37.18 Favored 'General case' 0 N--CA 1.478 0.933 0 C-N-CA 124.532 1.133 . . . . 0.0 113.317 177.69 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 84.0 p -153.04 168.89 24.35 Favored 'General case' 0 N--CA 1.473 0.681 0 C-N-CA 125.691 1.596 . . . . 0.0 111.63 177.365 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 55.4 mt -58.32 139.39 18.06 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.823 0 C-N-CA 124.344 1.057 . . . . 0.0 111.951 -177.974 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 22.8 m -112.85 135.25 53.82 Favored 'General case' 0 CA--C 1.536 0.422 0 C-N-CA 124.331 1.052 . . . . 0.0 111.477 164.769 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 48.5 m -86.23 165.65 16.33 Favored 'General case' 0 N--CA 1.468 0.462 0 C-N-CA 125.199 1.399 . . . . 0.0 112.433 175.181 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 13' ' ' LEU . . . . . 0.488 HD12 ' H ' ' A' ' 13' ' ' LEU . 6.9 mp -47.29 -51.39 19.27 Favored 'General case' 0 N--CA 1.473 0.691 0 C-N-CA 124.812 1.245 . . . . 0.0 111.012 170.188 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 35.2 m-85 -60.57 -20.66 61.1 Favored 'General case' 0 CA--C 1.541 0.606 0 C-N-CA 127.018 2.127 . . . . 0.0 114.452 -179.258 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 44.8 mt-30 -89.75 -50.2 6.2 Favored 'General case' 0 N--CA 1.468 0.461 0 C-N-CA 125.269 1.427 . . . . 0.0 111.001 174.336 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 94.5 mt -59.67 -33.68 71.87 Favored 'General case' 0 CA--C 1.541 0.601 0 C-N-CA 124.33 1.052 . . . . 0.0 112.954 -179.442 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 35.8 mt-10 -62.0 -21.25 64.7 Favored 'General case' 0 CA--C 1.544 0.745 0 N-CA-C 114.597 1.332 . . . . 0.0 114.597 177.799 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 52.9 m-80 -72.33 -39.63 68.02 Favored 'General case' 0 N--CA 1.475 0.782 0 CA-C-N 119.674 1.125 . . . . 0.0 111.718 175.63 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 79.7 m-85 -67.91 -23.13 65.06 Favored 'General case' 0 CA--C 1.541 0.632 0 C-N-CA 124.594 1.158 . . . . 0.0 112.513 178.389 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 73.1 m -73.77 0.56 12.7 Favored 'General case' 0 CA--C 1.545 0.756 0 C-N-CA 125.728 1.611 . . . . 0.0 114.731 172.227 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 60.1 t30 . . . . . 0 CA--C 1.539 0.526 0 C-N-CA 126.239 1.815 . . . . 0.0 113.717 165.314 . . . . . . . . 0 0 . 1 . 019 nuclear build core ' B' B ' 1' ' ' PHE . . . . . . . . . . . . . 74.3 t80 . . . . . 0 CA--C 1.54 0.591 0 N-CA-C 112.694 0.627 . . . . 0.0 112.694 . . . . . . . . . 0 0 . 1 . 019 nuclear build core ' B' B ' 2' ' ' VAL . . . . . . . . . . . . . 17.5 m -132.97 139.99 48.3 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.697 0 C-N-CA 125.58 1.552 . . . . 0.0 109.693 165.055 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 3' ' ' ASN . . . . . . . . . . . . . 5.9 m-20 -48.16 139.54 8.24 Favored 'General case' 0 CA--C 1.54 0.562 0 N-CA-C 114.1 1.148 . . . . 0.0 114.1 -173.165 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 4' ' ' GLN . . . . . . . . . . . . . 6.5 pt20 -168.63 166.32 11.89 Favored 'General case' 0 CA--C 1.539 0.55 0 C-N-CA 126.364 1.865 . . . . 0.0 109.772 176.611 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 5' ' ' HIS . . . . . . . . . . . . . 21.6 m-70 -70.93 140.47 50.97 Favored 'General case' 0 N--CA 1.472 0.66 0 C-N-CA 124.802 1.241 . . . . 0.0 109.787 162.736 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 75.8 mt -140.53 125.47 18.33 Favored 'General case' 0 N--CA 1.47 0.549 0 C-N-CA 124.232 1.013 . . . . 0.0 112.673 -167.198 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 7' ' ' CYS . . . . . . . . . . . . . 87.2 m -131.99 -93.64 0.37 Allowed 'General case' 0 CA--C 1.546 0.815 0 N-CA-C 114.023 1.12 . . . . 0.0 114.023 -167.575 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 8' ' ' GLY . . . . . . . . . . . . . . . -100.74 118.01 6.05 Favored Glycine 0 N--CA 1.471 0.991 0 C-N-CA 124.654 1.121 . . . . 0.0 112.898 -173.143 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 9' ' ' SER . . . . . . . . . . . . . 69.9 m 57.27 -35.13 0.04 OUTLIER 'General case' 0 N--CA 1.478 0.949 0 C-N-CA 129.515 3.126 . . . . 0.0 115.646 -170.815 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 10' ' ' HIS . . . . . . . . . . . . . 35.2 m170 -55.72 -39.96 71.79 Favored 'General case' 0 N--CA 1.47 0.555 0 C-N-CA 125.804 1.642 . . . . 0.0 111.511 174.335 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 63.5 tp -62.21 -37.7 86.34 Favored 'General case' 0 CA--C 1.538 0.485 0 C-N-CA 126.158 1.783 . . . . 0.0 113.545 177.179 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 41.0 t -75.78 -42.57 40.42 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.67 0 C-N-CA 123.644 0.777 . . . . 0.0 110.356 176.616 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 50.2 mt-10 -61.72 -41.95 98.3 Favored 'General case' 0 CA--C 1.537 0.449 0 C-N-CA 123.388 0.675 . . . . 0.0 112.1 175.804 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -62.65 -42.63 99.71 Favored 'General case' 0 CA--C 1.538 0.498 0 O-C-N 121.424 -0.797 . . . . 0.0 113.063 -179.165 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 15' ' ' LEU . . . . . 0.434 ' HA ' HG12 ' B' ' 18' ' ' VAL . 4.1 pp -76.22 -32.29 58.87 Favored 'General case' 0 CA--C 1.538 0.492 0 O-C-N 122.173 -0.329 . . . . 0.0 111.47 178.773 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 16' ' ' TYR . . . . . . . . . . . . . 1.2 t80 -61.14 -43.92 98.13 Favored 'General case' 0 CA--C 1.538 0.518 0 O-C-N 121.216 -0.928 . . . . 0.0 111.552 169.346 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 29.6 mt -67.89 -42.81 80.65 Favored 'General case' 0 CA--C 1.533 0.321 0 C-N-CA 123.681 0.792 . . . . 0.0 112.366 -175.574 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 18' ' ' VAL . . . . . 0.434 HG12 ' HA ' ' B' ' 15' ' ' LEU . 9.3 p -75.56 -28.02 19.48 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.633 0 N-CA-C 112.671 0.619 . . . . 0.0 112.671 -179.017 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 19' ' ' CYS . . . . . . . . . . . . . 71.3 m -99.0 -22.18 15.86 Favored 'General case' 0 CA--C 1.542 0.65 0 N-CA-C 115.111 1.523 . . . . 0.0 115.111 -177.74 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.537 1.455 0 C-N-CA 125.292 1.425 . . . . 0.0 115.112 -178.498 . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 8.7 tt . . . . . 0 N--CA 1.479 0.993 0 N-CA-C 112.892 0.701 . . . . 0.0 112.892 . . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 33.8 t -68.74 136.49 26.28 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.555 0 C-N-CA 123.605 0.762 . . . . 0.0 109.825 172.487 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 42.7 mt-10 58.74 15.11 3.54 Favored 'General case' 0 CA--C 1.549 0.938 0 C-N-CA 125.786 1.634 . . . . 0.0 115.3 -166.396 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 49.3 tp60 -90.11 -73.47 0.52 Allowed 'General case' 0 N--CA 1.471 0.594 0 O-C-N 121.202 -0.936 . . . . 0.0 109.193 155.103 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 2.7 t -85.42 -10.52 56.1 Favored 'General case' 0 CA--C 1.543 0.702 0 N-CA-C 114.418 1.266 . . . . 0.0 114.418 -163.61 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 8.0 t -76.05 -13.95 60.21 Favored 'General case' 0 CA--C 1.55 0.957 0 O-C-N 121.418 -0.801 . . . . 0.0 112.674 173.304 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 13.9 t -128.2 -18.12 4.16 Favored 'General case' 0 N--CA 1.48 1.038 0 C-N-CA 125.671 1.588 . . . . 0.0 113.929 -177.227 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 94.1 p -135.76 168.12 19.88 Favored 'General case' 0 N--CA 1.473 0.68 0 C-N-CA 125.9 1.68 . . . . 0.0 111.818 177.51 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 35.4 mt -77.84 137.68 21.77 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.614 0 O-C-N 121.184 -0.947 . . . . 0.0 110.493 173.458 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 29.1 p -119.09 159.95 22.97 Favored 'General case' 0 CA--C 1.543 0.711 0 C-N-CA 124.889 1.276 . . . . 0.0 112.477 171.979 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 20.5 m -119.59 160.24 22.83 Favored 'General case' 0 N--CA 1.473 0.685 0 C-N-CA 126.055 1.742 . . . . 0.0 111.391 -176.516 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 2.3 pt? -53.67 -35.77 61.4 Favored 'General case' 0 CA--C 1.542 0.664 0 N-CA-C 113.341 0.867 . . . . 0.0 113.341 171.265 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 32.9 m-85 -61.54 -16.83 51.34 Favored 'General case' 0 N--CA 1.472 0.629 0 C-N-CA 125.663 1.585 . . . . 0.0 114.178 175.719 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 6.9 mm-40 -102.67 -49.35 3.85 Favored 'General case' 0 CA--C 1.536 0.434 0 C-N-CA 125.104 1.361 . . . . 0.0 111.653 170.205 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 88.7 mt -60.93 -32.76 72.25 Favored 'General case' 0 N--CA 1.47 0.544 0 N-CA-C 114.474 1.287 . . . . 0.0 114.474 -175.041 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 38.4 mt-10 -66.39 -23.71 66.37 Favored 'General case' 0 CA--C 1.543 0.699 0 N-CA-C 113.18 0.807 . . . . 0.0 113.18 178.513 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 23.2 m-80 -74.96 -38.53 61.68 Favored 'General case' 0 N--CA 1.473 0.698 0 O-C-N 121.269 -0.894 . . . . 0.0 111.38 175.036 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 23.2 m-85 -69.68 -9.22 53.45 Favored 'General case' 0 CA--C 1.543 0.674 0 C-N-CA 124.508 1.123 . . . . 0.0 113.567 178.975 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 32.5 t -62.72 -26.01 68.46 Favored 'General case' 0 CA--C 1.543 0.701 0 C-N-CA 124.798 1.239 . . . . 0.0 113.233 170.169 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 25.7 t-20 . . . . . 0 CA--C 1.544 0.736 0 C-N-CA 123.777 0.831 . . . . 0.0 112.201 178.814 . . . . . . . . 0 0 . 1 . 020 nuclear build core ' B' B ' 1' ' ' PHE . . . . . . . . . . . . . 63.0 t80 . . . . . 0 CA--C 1.541 0.606 0 N-CA-C 112.262 0.467 . . . . 0.0 112.262 . . . . . . . . . 0 0 . 1 . 020 nuclear build core ' B' B ' 2' ' ' VAL . . . . . . . . . . . . . 17.5 m -134.23 134.63 55.05 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.837 0 C-N-CA 125.108 1.363 . . . . 0.0 110.467 169.178 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 3' ' ' ASN . . . . . . . . . . . . . 8.0 m-20 -63.17 144.07 57.24 Favored 'General case' 0 CA--C 1.534 0.339 0 N-CA-C 113.359 0.874 . . . . 0.0 113.359 -175.565 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 4' ' ' GLN . . . . . . . . . . . . . 7.3 pt20 -170.75 160.65 7.06 Favored 'General case' 0 CA--C 1.54 0.561 0 C-N-CA 126.957 2.103 . . . . 0.0 109.348 -177.487 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 5' ' ' HIS . . . . . . . . . . . . . 28.5 m-70 -69.52 142.53 53.65 Favored 'General case' 0 CA--C 1.543 0.711 0 C-N-CA 124.4 1.08 . . . . 0.0 110.304 163.176 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 56.3 mt -143.27 136.76 28.33 Favored 'General case' 0 N--CA 1.473 0.712 0 C-N-CA 125.509 1.524 . . . . 0.0 111.303 -175.727 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 7' ' ' CYS . . . . . . . . . . . . . 4.4 t -152.08 159.4 43.68 Favored 'General case' 0 CA--C 1.541 0.617 0 N-CA-C 112.849 0.685 . . . . 0.0 112.849 -178.954 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 8' ' ' GLY . . . . . . . . . . . . . . . 57.72 -136.79 50.42 Favored Glycine 0 CA--C 1.534 1.262 0 C-N-CA 124.134 0.873 . . . . 0.0 113.246 177.704 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 9' ' ' SER . . . . . . . . . . . . . 19.1 m -58.91 -34.98 72.31 Favored 'General case' 0 N--CA 1.472 0.658 0 C-N-CA 123.77 0.828 . . . . 0.0 112.796 177.691 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 10' ' ' HIS . . . . . . . . . . . . . 31.6 m170 -63.61 -35.16 79.61 Favored 'General case' 0 N--CA 1.472 0.643 0 C-N-CA 123.566 0.746 . . . . 0.0 112.405 178.515 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 42.1 tp -67.01 -43.32 83.2 Favored 'General case' 0 CA--C 1.539 0.531 0 C-N-CA 124.121 0.968 . . . . 0.0 112.0 175.279 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 58.7 t -67.87 -41.52 84.98 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.84 0 C-N-CA 124.11 0.964 . . . . 0.0 111.252 178.346 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 44.6 mt-10 -66.34 -44.47 83.19 Favored 'General case' 0 N--CA 1.467 0.419 0 O-C-N 121.455 -0.778 . . . . 0.0 111.943 174.361 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -64.29 -38.63 91.74 Favored 'General case' 0 CA--C 1.538 0.512 0 O-C-N 121.259 -0.9 . . . . 0.0 112.999 -177.639 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 15' ' ' LEU . . . . . 0.405 ' HA ' HG12 ' B' ' 18' ' ' VAL . 3.3 pp -73.04 -34.27 66.21 Favored 'General case' 0 N--CA 1.47 0.549 0 CA-C-N 118.9 0.773 . . . . 0.0 111.734 178.485 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 16' ' ' TYR . . . . . . . . . . . . . 1.9 t80 -63.98 -44.4 92.83 Favored 'General case' 0 CA--C 1.539 0.533 0 C-N-CA 124.007 0.923 . . . . 0.0 111.129 172.0 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 50.0 mt -69.31 -43.32 73.99 Favored 'General case' 0 CA--C 1.535 0.378 0 C-N-CA 124.172 0.989 . . . . 0.0 112.734 -178.579 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 18' ' ' VAL . . . . . 0.405 HG12 ' HA ' ' B' ' 15' ' ' LEU . 3.8 p -73.86 -28.84 24.76 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.791 0 C-N-CA 122.993 0.517 . . . . 0.0 112.177 -178.544 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 19' ' ' CYS . . . . . . . . . . . . . 43.1 t -76.85 -34.44 57.84 Favored 'General case' 0 CA--C 1.54 0.592 0 C-N-CA 124.348 1.059 . . . . 0.0 112.743 171.57 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.539 1.537 0 C-N-CA 124.843 1.211 . . . . 0.0 114.087 -173.942 . . . . . . . . 0 0 . 1 . 021 nuclear build core ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 10.6 tt . . . . . 0 N--CA 1.477 0.898 0 N-CA-C 114.334 1.235 . . . . 0.0 114.334 . . . . . . . . . 0 0 . 1 . 021 nuclear build core ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 8.3 p -66.71 -45.18 88.77 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.987 0 O-C-N 120.912 -1.117 . . . . 0.0 112.607 -170.429 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 16.9 pt-20 -73.68 1.36 10.43 Favored 'General case' 0 CA--C 1.541 0.599 0 C-N-CA 125.125 1.37 . . . . 0.0 114.29 176.004 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 92.8 mt-30 -102.66 -54.82 2.57 Favored 'General case' 0 CA--C 1.538 0.481 0 C-N-CA 125.233 1.413 . . . . 0.0 109.584 168.357 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 75.8 m -75.11 -22.48 58.2 Favored 'General case' 0 CA--C 1.542 0.649 0 N-CA-C 114.135 1.161 . . . . 0.0 114.135 -175.276 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 5.9 t -83.36 -12.71 56.25 Favored 'General case' 0 CA--C 1.548 0.891 0 O-C-N 121.322 -0.861 . . . . 0.0 112.84 178.118 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 13.8 t -114.95 -25.64 8.09 Favored 'General case' 0 N--CA 1.481 1.113 0 C-N-CA 125.19 1.396 . . . . 0.0 114.329 -179.302 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 97.2 p -136.94 159.83 40.71 Favored 'General case' 0 N--CA 1.473 0.699 0 C-N-CA 125.252 1.421 . . . . 0.0 111.705 168.239 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 45.2 mt -64.59 140.64 19.37 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.816 0 O-C-N 121.133 -0.979 . . . . 0.0 112.097 -172.575 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 64.3 m -120.26 106.38 11.85 Favored 'General case' 0 CA--C 1.534 0.335 0 C-N-CA 124.721 1.208 . . . . 0.0 110.293 169.348 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 59.8 m -71.5 164.81 25.12 Favored 'General case' 0 N--CA 1.468 0.436 0 C-N-CA 124.305 1.042 . . . . 0.0 110.81 171.079 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 2.3 pp -57.01 -33.46 67.18 Favored 'General case' 0 CA--C 1.547 0.83 0 O-C-N 121.366 -0.834 . . . . 0.0 112.316 179.097 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 43.7 m-85 -69.11 -26.58 64.98 Favored 'General case' 0 CA--C 1.541 0.632 0 C-N-CA 125.491 1.516 . . . . 0.0 113.72 175.806 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 42.0 mt-30 -79.71 -47.47 15.25 Favored 'General case' 0 N--CA 1.469 0.505 0 C-N-CA 124.278 1.031 . . . . 0.0 110.138 172.213 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 95.7 mt -56.41 -35.67 68.05 Favored 'General case' 0 N--CA 1.474 0.773 0 C-N-CA 124.222 1.009 . . . . 0.0 113.036 176.717 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 5.0 mm-40 -56.06 -37.48 69.33 Favored 'General case' 0 N--CA 1.473 0.723 0 C-N-CA 124.632 1.173 . . . . 0.0 113.659 172.124 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 95.0 m-20 -68.27 -29.9 68.8 Favored 'General case' 0 N--CA 1.47 0.542 0 O-C-N 121.356 -0.84 . . . . 0.0 112.146 -178.087 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 94.0 m-85 -74.58 -26.19 59.76 Favored 'General case' 0 CA--C 1.539 0.55 0 C-N-CA 123.958 0.903 . . . . 0.0 112.665 174.179 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 9.0 t -76.81 -34.33 57.93 Favored 'General case' 0 CA--C 1.545 0.777 0 CA-C-N 118.549 0.613 . . . . 0.0 112.242 170.614 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 N--CA 1.471 0.591 0 C-N-CA 124.902 1.281 . . . . 0.0 112.058 177.782 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' B' B ' 1' ' ' PHE . . . . . . . . . . . . . 43.7 t80 . . . . . 0 CA--C 1.542 0.641 0 N-CA-C 112.091 0.404 . . . . 0.0 112.091 . . . . . . . . . 0 0 . 1 . 021 nuclear build core ' B' B ' 2' ' ' VAL . . . . . . . . . . . . . 47.5 t -136.48 128.74 44.8 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.929 0 C-N-CA 125.339 1.455 . . . . 0.0 109.346 174.456 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' B' B ' 3' ' ' ASN . . . . . . . . . . . . . 94.9 m-20 -58.01 135.35 56.94 Favored 'General case' 0 N--CA 1.47 0.525 0 C-N-CA 123.231 0.612 . . . . 0.0 112.229 178.406 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' B' B ' 4' ' ' GLN . . . . . . . . . . . . . 6.4 pt20 -163.48 166.29 22.84 Favored 'General case' 0 CA--C 1.537 0.455 0 C-N-CA 125.062 1.345 . . . . 0.0 110.557 176.693 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' B' B ' 5' ' ' HIS . . . . . . . . . . . . . 27.9 m-70 -76.59 80.48 3.26 Favored 'General case' 0 CA--C 1.545 0.753 0 C-N-CA 125.358 1.463 . . . . 0.0 110.686 168.728 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 2.7 mm? -60.98 135.32 57.75 Favored 'General case' 0 N--CA 1.474 0.743 0 O-C-N 121.367 -0.833 . . . . 0.0 111.923 -179.996 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' B' B ' 7' ' ' CYS . . . . . . . . . . . . . 7.0 t -150.92 158.14 43.77 Favored 'General case' 0 CA--C 1.541 0.622 0 C-N-CA 123.163 0.585 . . . . 0.0 112.331 -176.591 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' B' B ' 8' ' ' GLY . . . . . . . . . . . . . . . 56.46 -135.33 50.49 Favored Glycine 0 CA--C 1.535 1.321 0 C-N-CA 124.034 0.826 . . . . 0.0 113.735 176.418 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' B' B ' 9' ' ' SER . . . . . . . . . . . . . 36.2 p -64.62 -31.72 73.06 Favored 'General case' 0 N--CA 1.471 0.613 0 C-N-CA 123.991 0.916 . . . . 0.0 113.351 176.379 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' B' B ' 10' ' ' HIS . . . . . . . . . . . . . 32.0 m170 -63.51 -35.12 79.43 Favored 'General case' 0 N--CA 1.472 0.668 0 CA-C-N 118.937 0.79 . . . . 0.0 112.298 177.966 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 63.9 tp -65.35 -44.89 86.28 Favored 'General case' 0 N--CA 1.467 0.384 0 C-N-CA 124.309 1.044 . . . . 0.0 112.166 174.348 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 72.5 t -64.62 -42.66 95.74 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.584 0 C-N-CA 123.849 0.86 . . . . 0.0 110.767 177.579 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 47.4 mt-10 -65.02 -44.59 88.64 Favored 'General case' 0 N--CA 1.468 0.448 0 O-C-N 121.721 -0.612 . . . . 0.0 112.224 175.608 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -63.58 -38.28 90.54 Favored 'General case' 0 CA--C 1.542 0.665 0 O-C-N 121.277 -0.889 . . . . 0.0 112.929 -177.326 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' B' B ' 15' ' ' LEU . . . . . 0.405 ' HA ' HG12 ' B' ' 18' ' ' VAL . 3.6 pp -78.23 -29.99 48.54 Favored 'General case' 0 CA--C 1.541 0.615 0 O-C-N 121.721 -0.612 . . . . 0.0 112.602 177.202 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' B' B ' 16' ' ' TYR . . . . . . . . . . . . . 1.0 OUTLIER -64.51 -41.37 96.46 Favored 'General case' 0 N--CA 1.468 0.47 0 C-N-CA 123.72 0.808 . . . . 0.0 111.326 170.148 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 45.6 mt -68.91 -48.63 62.83 Favored 'General case' 0 CA--C 1.534 0.329 0 C-N-CA 123.726 0.81 . . . . 0.0 111.873 -178.337 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' B' B ' 18' ' ' VAL . . . . . 0.405 HG12 ' HA ' ' B' ' 15' ' ' LEU . 5.9 p -67.05 -34.85 72.44 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.767 0 N-CA-C 111.986 0.365 . . . . 0.0 111.986 -177.501 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' B' B ' 19' ' ' CYS . . . . . . . . . . . . . 6.9 t -88.74 -36.87 15.9 Favored 'General case' 0 CA--C 1.541 0.606 0 N-CA-C 112.838 0.681 . . . . 0.0 112.838 -175.779 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.533 1.218 0 O-C-N 120.98 -1.075 . . . . 0.0 113.517 178.628 . . . . . . . . 0 0 . 1 . 022 nuclear build core ' A' A ' 2' ' ' ILE . . . . . 0.427 HD12 ' CG ' ' A' ' 19' ' ' TYR 0.256 18.2 tt . . . . . 0 N--CA 1.477 0.917 0 N-CA-C 117.296 2.332 . . . . 0.0 117.296 . . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 35.2 t -69.87 138.81 21.34 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.744 0 C-N-CA 125.713 1.605 . . . . 0.0 109.509 169.049 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 43.1 mt-10 54.56 21.85 3.62 Favored 'General case' 0 CA--C 1.549 0.93 0 N-CA-C 114.687 1.365 . . . . 0.0 114.687 -166.028 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 40.2 mt-30 -110.34 -64.38 1.27 Allowed 'General case' 0 N--CA 1.47 0.561 0 C-N-CA 124.619 1.167 . . . . 0.0 109.02 157.987 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -69.71 -18.1 63.51 Favored 'General case' 0 CA--C 1.548 0.891 0 N-CA-C 113.159 0.8 . . . . 0.0 113.159 -177.981 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 28.9 t -90.25 -7.2 54.07 Favored 'General case' 0 CA--C 1.549 0.931 0 C-N-CA 125.117 1.367 . . . . 0.0 113.367 178.61 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 5.7 t -124.06 -24.76 4.32 Favored 'General case' 0 N--CA 1.483 1.197 0 N-CA-C 114.146 1.165 . . . . 0.0 114.146 -179.821 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 92.4 p -126.85 155.41 42.98 Favored 'General case' 0 N--CA 1.47 0.564 0 C-N-CA 125.22 1.408 . . . . 0.0 111.133 165.771 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 15.1 mt -62.09 136.23 25.67 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.693 0 C-N-CA 123.881 0.873 . . . . 0.0 112.428 -170.443 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 58.8 m -80.42 146.47 31.44 Favored 'General case' 0 CA--C 1.537 0.452 0 C-N-CA 124.869 1.268 . . . . 0.0 111.648 173.67 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 55.0 m -130.81 157.64 42.3 Favored 'General case' 0 N--CA 1.47 0.535 0 C-N-CA 125.402 1.481 . . . . 0.0 109.77 171.628 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 13' ' ' LEU . . . . . 0.566 HD12 ' H ' ' A' ' 13' ' ' LEU . 4.7 mp -51.3 -45.35 62.14 Favored 'General case' 0 N--CA 1.47 0.533 0 C-N-CA 124.469 1.108 . . . . 0.0 111.244 179.548 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 24.8 m-85 -62.09 -37.67 85.96 Favored 'General case' 0 CA--C 1.54 0.563 0 C-N-CA 125.367 1.467 . . . . 0.0 112.94 -179.649 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 10.1 mm-40 -72.38 -42.47 65.18 Favored 'General case' 0 N--CA 1.469 0.491 0 C-N-CA 123.574 0.749 . . . . 0.0 110.733 176.714 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 69.0 mt -65.63 -36.59 84.14 Favored 'General case' 0 CA--C 1.544 0.748 0 C-N-CA 123.986 0.914 . . . . 0.0 112.086 177.236 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 39.0 mt-10 -66.75 -38.18 86.12 Favored 'General case' 0 CA--C 1.542 0.64 0 O-C-N 121.219 -0.925 . . . . 0.0 112.213 170.46 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 81.5 m-20 -63.96 -33.31 75.44 Favored 'General case' 0 CA--C 1.541 0.619 0 O-C-N 121.321 -0.862 . . . . 0.0 112.394 174.296 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 19' ' ' TYR . . . . . 0.427 ' CG ' HD12 ' A' ' 2' ' ' ILE . 25.4 m-85 -71.13 -32.65 69.26 Favored 'General case' 0 CA--C 1.54 0.581 0 N-CA-C 112.928 0.714 . . . . 0.0 112.928 172.203 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 35.5 t -70.81 -37.45 73.26 Favored 'General case' 0 CA--C 1.546 0.8 0 C-N-CA 123.353 0.661 . . . . 0.0 112.511 174.546 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 25.5 t-20 . . . . . 0 CA--C 1.545 0.755 0 C-N-CA 124.944 1.298 . . . . 0.0 112.713 -178.826 . . . . . . . . 0 0 . 1 . 022 nuclear build core ' B' B ' 1' ' ' PHE . . . . . . . . . . . . . 44.9 t80 . . . . . 0 CA--C 1.539 0.52 0 N-CA-C 112.127 0.417 . . . . 0.0 112.127 . . . . . . . . . 0 0 . 1 . 022 nuclear build core ' B' B ' 2' ' ' VAL . . . . . . . . . . . . . 25.2 m -136.19 141.44 41.48 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.774 0 C-N-CA 125.04 1.336 . . . . 0.0 110.115 166.117 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' B' B ' 3' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -51.85 129.67 27.22 Favored 'General case' 0 CA--C 1.538 0.489 0 C-N-CA 123.908 0.883 . . . . 0.0 113.255 178.112 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' B' B ' 4' ' ' GLN . . . . . . . . . . . . . 7.5 pt20 -165.27 153.12 11.23 Favored 'General case' 0 CA--C 1.533 0.321 0 C-N-CA 125.465 1.506 . . . . 0.0 110.285 177.591 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' B' B ' 5' ' ' HIS . . . . . . . . . . . . . 24.7 m-70 -70.06 145.0 51.99 Favored 'General case' 0 CA--C 1.542 0.657 0 C-N-CA 123.999 0.919 . . . . 0.0 110.259 161.93 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 73.6 mt -136.58 139.35 42.08 Favored 'General case' 0 N--CA 1.471 0.607 0 C-N-CA 125.01 1.324 . . . . 0.0 111.545 179.571 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' B' B ' 7' ' ' CYS . . . . . . . . . . . . . 72.0 m -134.93 143.85 47.13 Favored 'General case' 0 CA--C 1.539 0.533 0 C-N-CA 124.734 1.213 . . . . 0.0 111.291 -171.171 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' B' B ' 8' ' ' GLY . . . . . . . . . . . . . . . 52.44 -129.91 37.51 Favored Glycine 0 CA--C 1.534 1.25 0 C-N-CA 123.879 0.752 . . . . 0.0 113.676 174.922 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' B' B ' 9' ' ' SER . . . . . . . . . . . . . 23.3 m -57.32 -34.28 68.58 Favored 'General case' 0 N--CA 1.472 0.648 0 C-N-CA 124.262 1.025 . . . . 0.0 113.647 -179.969 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' B' B ' 10' ' ' HIS . . . . . . . . . . . . . 30.5 m170 -65.15 -32.81 74.69 Favored 'General case' 0 N--CA 1.475 0.781 0 CA-C-N 119.1 0.864 . . . . 0.0 112.456 178.818 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' B' B ' 11' ' ' LEU . . . . . 0.418 HD22 HD11 ' A' ' 2' ' ' ILE . 1.3 tt -67.34 -47.68 69.76 Favored 'General case' 0 CA--C 1.542 0.656 0 C-N-CA 125.13 1.372 . . . . 0.0 110.429 174.85 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 61.5 t -65.1 -40.54 89.22 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.886 0 C-N-CA 124.706 1.203 . . . . 0.0 111.777 178.745 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 43.8 mt-10 -65.26 -42.21 93.49 Favored 'General case' 0 N--CA 1.469 0.499 0 O-C-N 121.328 -0.858 . . . . 0.0 111.955 175.409 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -66.38 -38.14 86.87 Favored 'General case' 0 CA--C 1.539 0.556 0 O-C-N 121.306 -0.871 . . . . 0.0 112.951 -178.469 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 3.7 pp -74.39 -34.38 63.29 Favored 'General case' 0 N--CA 1.468 0.449 0 CA-C-N 118.395 0.543 . . . . 0.0 111.558 177.907 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' B' B ' 16' ' ' TYR . . . . . . . . . . . . . 2.9 t80 -62.03 -41.48 98.15 Favored 'General case' 0 CA--C 1.541 0.604 0 C-N-CA 123.703 0.801 . . . . 0.0 111.489 171.215 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 40.4 mt -69.56 -46.57 66.08 Favored 'General case' 0 CA--C 1.535 0.386 0 C-N-CA 123.649 0.78 . . . . 0.0 112.397 -178.768 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' B' B ' 18' ' ' VAL . . . . . . . . . . . . . 5.8 p -73.5 -30.55 30.18 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.817 0 N-CA-C 112.449 0.537 . . . . 0.0 112.449 -177.373 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' B' B ' 19' ' ' CYS . . . . . . . . . . . . . 11.2 t -85.34 -31.87 22.77 Favored 'General case' 0 CA--C 1.543 0.703 0 C-N-CA 123.92 0.888 . . . . 0.0 112.853 179.788 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.539 1.547 0 C-N-CA 125.399 1.476 . . . . 0.0 115.518 179.514 . . . . . . . . 0 0 . 1 . 023 nuclear build core ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 10.4 tt . . . . . 0 N--CA 1.48 1.036 0 N-CA-C 114.167 1.173 . . . . 0.0 114.167 . . . . . . . . . 0 0 . 1 . 023 nuclear build core ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 9.3 p -63.29 -48.91 85.21 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.729 0 C-N-CA 122.982 0.513 . . . . 0.0 111.93 -169.292 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 16.9 pt-20 -68.95 -44.0 73.89 Favored 'General case' 0 CA--C 1.532 0.282 0 CA-C-O 118.708 -0.663 . . . . 0.0 110.387 174.283 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 16.1 tp60 -60.43 -42.18 95.52 Favored 'General case' 0 N--CA 1.467 0.38 0 CA-C-N 119.083 0.856 . . . . 0.0 112.748 -173.096 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 61.4 m -89.96 -25.99 20.61 Favored 'General case' 0 CA--C 1.543 0.681 0 N-CA-C 113.511 0.93 . . . . 0.0 113.511 -177.95 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 84.9 m -72.45 -26.46 61.84 Favored 'General case' 0 CA--C 1.549 0.916 0 O-C-N 121.0 -1.063 . . . . 0.0 112.654 169.242 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 1.4 t -98.47 -26.69 14.36 Favored 'General case' 0 N--CA 1.482 1.137 0 N-CA-C 114.565 1.32 . . . . 0.0 114.565 -177.367 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 52.7 m -140.25 163.93 31.43 Favored 'General case' 0 N--CA 1.477 0.876 0 C-N-CA 125.597 1.559 . . . . 0.0 112.002 179.547 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 46.0 mt -63.62 137.66 24.32 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.633 0 O-C-N 121.245 -0.91 . . . . 0.0 110.594 173.581 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 17.5 m -115.55 160.76 19.55 Favored 'General case' 0 CA--C 1.54 0.574 0 C-N-CA 124.933 1.293 . . . . 0.0 112.339 174.585 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 63.6 m -121.45 156.54 32.52 Favored 'General case' 0 N--CA 1.472 0.647 0 C-N-CA 125.731 1.612 . . . . 0.0 111.153 175.651 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 2.6 pt? -58.1 -30.7 66.47 Favored 'General case' 0 CA--C 1.54 0.594 0 N-CA-C 113.738 1.014 . . . . 0.0 113.738 -177.465 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 24.9 m-85 -65.02 -32.74 74.61 Favored 'General case' 0 CA--C 1.539 0.558 0 C-N-CA 124.597 1.159 . . . . 0.0 112.69 176.212 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 42.7 mt-30 -71.37 -42.63 68.19 Favored 'General case' 0 N--CA 1.469 0.476 0 C-N-CA 123.338 0.655 . . . . 0.0 110.122 173.375 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 64.9 mt -60.92 -37.34 81.94 Favored 'General case' 0 CA--C 1.541 0.634 0 C-N-CA 123.268 0.627 . . . . 0.0 112.67 176.594 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 45.6 mt-10 -65.34 -39.12 91.97 Favored 'General case' 0 N--CA 1.472 0.638 0 C-N-CA 123.438 0.695 . . . . 0.0 112.73 169.934 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 91.9 m-20 -67.7 -30.34 69.82 Favored 'General case' 0 CA--C 1.542 0.653 0 O-C-N 121.235 -0.916 . . . . 0.0 112.674 176.156 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 27.3 m-85 -75.05 -33.8 61.76 Favored 'General case' 0 N--CA 1.469 0.494 0 CA-C-N 118.996 0.816 . . . . 0.0 112.541 175.894 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 7.3 p -81.41 -40.43 23.43 Favored 'General case' 0 CA--C 1.543 0.684 0 N-CA-C 112.872 0.693 . . . . 0.0 112.872 178.007 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 19.2 p30 . . . . . 0 N--CA 1.473 0.695 0 C-N-CA 128.315 2.646 . . . . 0.0 114.883 176.577 . . . . . . . . 0 0 . 1 . 023 nuclear build core ' B' B ' 1' ' ' PHE . . . . . . . . . . . . . 38.8 t80 . . . . . 0 CA--C 1.542 0.647 0 N-CA-C 111.885 0.328 . . . . 0.0 111.885 . . . . . . . . . 0 0 . 1 . 023 nuclear build core ' B' B ' 2' ' ' VAL . . . . . . . . . . . . . 2.9 m -138.92 86.61 0.51 Allowed 'Isoleucine or valine' 0 N--CA 1.476 0.862 0 C-N-CA 124.86 1.264 . . . . 0.0 112.204 177.644 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' B' B ' 3' ' ' ASN . . . . . . . . . . . . . 28.1 m120 47.75 -132.78 1.33 Allowed 'General case' 0 CA--C 1.551 1.001 0 C-N-CA 125.954 1.702 . . . . 0.0 115.03 163.437 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' B' B ' 4' ' ' GLN . . . . . . . . . . . . 0.282 7.1 pt20 59.55 162.31 0.04 OUTLIER 'General case' 0 CA--C 1.545 0.766 1 C-N-CA 133.826 4.85 . . . . 0.0 117.938 177.212 . . . . . . . . 3 2 . 1 . 023 nuclear build core ' B' B ' 5' ' ' HIS . . . . . . . . . . . . . 52.6 m-70 -77.33 72.19 3.86 Favored 'General case' 0 CA--C 1.54 0.592 0 C-N-CA 126.606 1.962 . . . . 0.0 111.001 175.721 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 61.8 mt -61.81 125.32 23.41 Favored 'General case' 0 N--CA 1.469 0.495 0 C-N-CA 123.715 0.806 . . . . 0.0 111.462 -178.123 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' B' B ' 7' ' ' CYS . . . . . . . . . . . . . 11.0 t -145.68 156.0 43.35 Favored 'General case' 0 CA--C 1.54 0.588 0 C-N-CA 123.289 0.636 . . . . 0.0 112.314 -174.239 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' B' B ' 8' ' ' GLY . . . . . . . . . . . . . . . 58.4 -134.66 52.35 Favored Glycine 0 CA--C 1.535 1.291 0 C-N-CA 124.026 0.822 . . . . 0.0 113.306 177.881 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' B' B ' 9' ' ' SER . . . . . . . . . . . . . 36.0 p -59.35 -33.27 70.95 Favored 'General case' 0 N--CA 1.472 0.656 0 C-N-CA 124.132 0.973 . . . . 0.0 113.517 178.146 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' B' B ' 10' ' ' HIS . . . . . . . . . . . . . 27.7 m-70 -67.35 -35.36 79.21 Favored 'General case' 0 N--CA 1.472 0.649 0 CA-C-N 118.789 0.722 . . . . 0.0 112.092 178.674 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 39.2 tp -67.33 -41.73 84.75 Favored 'General case' 0 CA--C 1.539 0.546 0 C-N-CA 124.088 0.955 . . . . 0.0 111.913 174.89 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 76.5 t -66.68 -43.26 90.31 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.763 0 C-N-CA 123.908 0.883 . . . . 0.0 111.225 176.288 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 37.6 mt-10 -66.85 -40.9 88.06 Favored 'General case' 0 N--CA 1.47 0.557 0 O-C-N 121.412 -0.805 . . . . 0.0 112.311 176.739 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -64.6 -38.0 89.49 Favored 'General case' 0 CA--C 1.541 0.61 0 CA-C-N 119.135 0.879 . . . . 0.0 113.052 -178.592 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 2.4 pp -77.15 -35.12 56.33 Favored 'General case' 0 N--CA 1.469 0.513 0 O-C-N 121.74 -0.6 . . . . 0.0 111.201 178.171 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' B' B ' 16' ' ' TYR . . . . . . . . . . . . . 3.7 t80 -61.2 -39.84 91.73 Favored 'General case' 0 CA--C 1.54 0.596 0 C-N-CA 123.672 0.789 . . . . 0.0 111.532 172.067 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 31.3 mt -69.59 -45.61 68.21 Favored 'General case' 0 N--CA 1.465 0.299 0 C-N-CA 123.663 0.785 . . . . 0.0 112.232 -178.454 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' B' B ' 18' ' ' VAL . . . . . . . . . . . . . 9.5 p -75.27 -34.43 30.85 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.723 0 N-CA-C 112.359 0.503 . . . . 0.0 112.359 -178.145 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' B' B ' 19' ' ' CYS . . . . . . . . . . . . . 8.9 t -92.22 -34.34 14.32 Favored 'General case' 0 CA--C 1.542 0.643 0 N-CA-C 112.95 0.722 . . . . 0.0 112.95 -173.892 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.535 1.333 0 C-N-CA 126.223 1.868 . . . . 0.0 114.371 175.74 . . . . . . . . 0 0 . 1 . 024 nuclear build core ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 17.5 tt . . . . . 0 N--CA 1.478 0.948 0 CA-C-O 120.891 0.377 . . . . 0.0 111.343 . . . . . . . . . 0 0 . 1 . 024 nuclear build core ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 38.0 t -72.57 140.88 17.24 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.503 0 C-N-CA 124.018 0.927 . . . . 0.0 109.152 161.661 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . 0.258 10.1 mm-40 59.1 16.88 5.09 Favored 'General case' 0 CA--C 1.548 0.884 0 C-N-CA 126.077 1.751 . . . . 0.0 115.62 -164.4 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 8.6 tp-100 -102.56 -69.74 0.78 Allowed 'General case' 0 N--CA 1.468 0.469 0 N-CA-C 108.878 -0.786 . . . . 0.0 108.878 145.354 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 95.2 m -69.42 -27.87 65.65 Favored 'General case' 0 CA--C 1.542 0.646 0 N-CA-C 113.696 0.998 . . . . 0.0 113.696 -172.05 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 10.1 t -79.16 -16.05 57.19 Favored 'General case' 0 CA--C 1.549 0.909 0 N-CA-C 113.378 0.881 . . . . 0.0 113.378 -176.266 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 13.2 t -121.29 -25.75 5.17 Favored 'General case' 0 N--CA 1.479 1.024 0 C-N-CA 125.258 1.423 . . . . 0.0 113.504 -176.128 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 74.9 m -133.69 159.38 40.72 Favored 'General case' 0 N--CA 1.469 0.517 0 C-N-CA 126.262 1.825 . . . . 0.0 111.077 177.39 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 50.3 mt -63.6 137.07 25.35 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.567 0 O-C-N 121.605 -0.684 . . . . 0.0 109.992 172.941 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 17.2 p -129.54 166.8 18.96 Favored 'General case' 0 CA--C 1.543 0.698 0 C-N-CA 124.501 1.12 . . . . 0.0 111.763 174.47 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 70.7 m -119.41 156.89 29.29 Favored 'General case' 0 N--CA 1.473 0.722 0 C-N-CA 125.175 1.39 . . . . 0.0 112.314 -173.698 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 2.6 pt? -57.55 -30.97 65.66 Favored 'General case' 0 CA--C 1.54 0.581 0 C-N-CA 124.309 1.044 . . . . 0.0 113.495 179.789 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 23.9 m-85 -65.67 -34.5 78.36 Favored 'General case' 0 CA--C 1.538 0.515 0 C-N-CA 124.419 1.088 . . . . 0.0 112.417 175.432 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 44.7 mt-30 -72.59 -39.78 67.09 Favored 'General case' 0 N--CA 1.467 0.382 0 O-C-N 121.357 -0.839 . . . . 0.0 110.327 174.506 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 79.0 mt -58.39 -41.15 84.24 Favored 'General case' 0 CA--C 1.543 0.68 0 C-N-CA 122.91 0.484 . . . . 0.0 112.178 173.026 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 45.1 mt-10 -62.97 -35.5 80.36 Favored 'General case' 0 N--CA 1.474 0.766 0 N-CA-C 113.214 0.82 . . . . 0.0 113.214 171.723 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 12.6 m-80 -66.63 -30.98 71.38 Favored 'General case' 0 CA--C 1.542 0.656 0 O-C-N 121.254 -0.904 . . . . 0.0 112.528 174.291 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 30.9 m-85 -75.79 -30.66 59.15 Favored 'General case' 0 CA--C 1.543 0.675 0 CA-C-N 119.085 0.857 . . . . 0.0 112.73 172.691 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 71.3 m -70.25 -33.27 71.42 Favored 'General case' 0 CA--C 1.544 0.733 0 C-N-CA 123.692 0.797 . . . . 0.0 112.877 172.219 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 25.3 t-20 . . . . . 0 CA--C 1.544 0.735 0 C-N-CA 124.727 1.211 . . . . 0.0 112.619 -179.121 . . . . . . . . 0 0 . 1 . 024 nuclear build core ' B' B ' 1' ' ' PHE . . . . . . . . . . . . . 43.9 t80 . . . . . 0 CA--C 1.54 0.575 0 N-CA-C 112.083 0.401 . . . . 0.0 112.083 . . . . . . . . . 0 0 . 1 . 024 nuclear build core ' B' B ' 2' ' ' VAL . . . . . . . . . . . . . 20.3 m -135.61 139.26 46.76 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.698 0 C-N-CA 125.15 1.38 . . . . 0.0 109.607 164.266 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' B' B ' 3' ' ' ASN . . . . . . . . . . . . . 20.9 m120 -59.16 140.43 55.91 Favored 'General case' 0 N--CA 1.466 0.373 0 CA-C-O 121.802 0.811 . . . . 0.0 112.777 -179.617 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' B' B ' 4' ' ' GLN . . . . . . . . . . . . . 7.0 pt20 -169.37 162.63 10.41 Favored 'General case' 0 CA--C 1.538 0.49 0 C-N-CA 127.088 2.155 . . . . 0.0 108.563 -179.669 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' B' B ' 5' ' ' HIS . . . . . . . . . . . . . 26.6 m-70 -67.81 139.11 56.58 Favored 'General case' 0 CA--C 1.54 0.592 0 C-N-CA 123.841 0.856 . . . . 0.0 109.587 161.631 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 65.4 mt -136.31 131.34 34.22 Favored 'General case' 0 N--CA 1.472 0.629 0 C-N-CA 125.029 1.332 . . . . 0.0 110.735 -176.053 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' B' B ' 7' ' ' CYS . . . . . . . . . . . . . 3.8 t -151.84 156.61 40.53 Favored 'General case' 0 CA--C 1.538 0.494 0 N-CA-C 112.563 0.579 . . . . 0.0 112.563 -179.158 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' B' B ' 8' ' ' GLY . . . . . . . . . . . . . . . 56.96 -136.26 50.58 Favored Glycine 0 CA--C 1.534 1.234 0 C-N-CA 123.813 0.721 . . . . 0.0 112.855 -178.99 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' B' B ' 9' ' ' SER . . . . . . . . . . . . . 40.0 p -59.23 -31.73 69.32 Favored 'General case' 0 N--CA 1.471 0.59 0 N-CA-C 113.717 1.006 . . . . 0.0 113.717 178.575 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' B' B ' 10' ' ' HIS . . . . . . . . . . . . . 30.6 m170 -65.53 -36.38 83.64 Favored 'General case' 0 N--CA 1.473 0.693 0 CA-C-N 119.36 0.982 . . . . 0.0 112.232 176.649 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -65.06 -46.5 80.93 Favored 'General case' 0 CA--C 1.539 0.545 0 C-N-CA 123.998 0.919 . . . . 0.0 110.961 174.201 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 82.6 t -61.5 -45.23 99.08 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.718 0 C-N-CA 124.243 1.017 . . . . 0.0 111.293 177.774 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 45.5 mt-10 -63.15 -42.41 99.43 Favored 'General case' 0 N--CA 1.472 0.648 0 CA-C-N 118.959 0.8 . . . . 0.0 112.182 176.381 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -64.61 -36.46 84.3 Favored 'General case' 0 CA--C 1.541 0.624 0 N-CA-C 113.146 0.795 . . . . 0.0 113.146 -179.02 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' B' B ' 15' ' ' LEU . . . . . 0.449 ' HA ' HG12 ' B' ' 18' ' ' VAL . 3.2 pp -82.09 -34.98 29.09 Favored 'General case' 0 CA--C 1.536 0.44 0 O-C-N 121.762 -0.586 . . . . 0.0 111.111 178.049 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' B' B ' 16' ' ' TYR . . . . . . . . . . . . . 10.0 t80 -58.1 -38.29 76.17 Favored 'General case' 0 CA--C 1.539 0.552 0 C-N-CA 123.876 0.87 . . . . 0.0 111.736 171.125 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 32.1 mt -69.44 -46.67 66.2 Favored 'General case' 0 CA--C 1.534 0.345 0 C-N-CA 123.718 0.807 . . . . 0.0 112.502 178.742 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' B' B ' 18' ' ' VAL . . . . . 0.449 HG12 ' HA ' ' B' ' 15' ' ' LEU . 6.4 p -76.39 -29.34 18.73 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.773 0 N-CA-C 112.75 0.648 . . . . 0.0 112.75 -176.781 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' B' B ' 19' ' ' CYS . . . . . . . . . . . . . 84.5 m -99.89 -25.86 14.2 Favored 'General case' 0 CA--C 1.543 0.706 0 N-CA-C 114.215 1.191 . . . . 0.0 114.215 -175.228 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.539 1.534 0 C-N-CA 125.897 1.713 . . . . 0.0 115.873 -179.414 . . . . . . . . 0 0 . 1 . 025 nuclear build core ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 14.6 tt . . . . . 0 N--CA 1.477 0.894 0 N-CA-C 114.177 1.177 . . . . 0.0 114.177 . . . . . . . . . 0 0 . 1 . 025 nuclear build core ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 10.9 p -63.44 -48.99 84.56 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.883 0 O-C-N 121.332 -0.855 . . . . 0.0 112.299 -169.255 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 14.5 pt-20 -69.35 -5.77 25.49 Favored 'General case' 0 CA--C 1.544 0.729 0 C-N-CA 125.333 1.453 . . . . 0.0 114.167 176.104 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 91.8 mt-30 -102.98 -32.93 9.49 Favored 'General case' 0 CA--C 1.54 0.589 0 C-N-CA 125.091 1.356 . . . . 0.0 112.171 176.767 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 73.9 m -103.82 -18.63 14.57 Favored 'General case' 0 CA--C 1.544 0.738 0 N-CA-C 115.679 1.733 . . . . 0.0 115.679 179.64 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 3.7 m -81.78 -24.17 36.15 Favored 'General case' 0 N--CA 1.478 0.974 0 CA-C-N 120.457 1.48 . . . . 0.0 113.726 177.864 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 6.9 t -111.82 -12.22 13.84 Favored 'General case' 0 N--CA 1.481 1.087 0 C-N-CA 124.929 1.292 . . . . 0.0 113.869 -176.562 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 68.7 m -140.61 158.04 44.58 Favored 'General case' 0 N--CA 1.47 0.537 0 C-N-CA 126.372 1.869 . . . . 0.0 110.475 177.421 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 25.9 mt -66.07 139.12 21.76 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.657 0 C-N-CA 123.486 0.714 . . . . 0.0 111.75 -178.871 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 50.3 m -122.01 156.93 32.45 Favored 'General case' 0 CA--C 1.542 0.663 0 C-N-CA 125.334 1.454 . . . . 0.0 111.592 169.516 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 48.7 m -137.0 159.63 41.31 Favored 'General case' 0 N--CA 1.471 0.589 0 C-N-CA 126.499 1.92 . . . . 0.0 109.625 179.584 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 2.5 pt? -56.07 -33.76 65.33 Favored 'General case' 0 CA--C 1.542 0.663 0 N-CA-C 113.262 0.838 . . . . 0.0 113.262 -177.014 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 27.1 m-85 -64.26 -27.88 69.35 Favored 'General case' 0 CA--C 1.541 0.611 0 C-N-CA 125.039 1.336 . . . . 0.0 113.593 176.532 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 20.8 mm100 -86.53 -35.0 19.8 Favored 'General case' 0 N--CA 1.468 0.461 0 C-N-CA 124.637 1.175 . . . . 0.0 111.35 172.423 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 97.1 mt -65.38 -25.36 67.53 Favored 'General case' 0 CA--C 1.542 0.662 0 N-CA-C 113.087 0.773 . . . . 0.0 113.087 177.181 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 38.7 mt-10 -57.55 -27.26 62.49 Favored 'General case' 0 CA--C 1.544 0.721 0 N-CA-C 113.569 0.952 . . . . 0.0 113.569 167.801 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 75.4 m-20 -71.06 -29.34 65.2 Favored 'General case' 0 CA--C 1.541 0.633 0 CA-C-N 119.658 1.117 . . . . 0.0 112.238 179.345 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 33.9 m-85 -82.85 -26.97 31.14 Favored 'General case' 0 N--CA 1.473 0.68 0 C-N-CA 123.645 0.778 . . . . 0.0 112.227 173.809 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 31.7 t -70.37 -41.16 73.47 Favored 'General case' 0 CA--C 1.546 0.814 0 C-N-CA 124.602 1.161 . . . . 0.0 112.528 170.788 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 59.5 t-20 . . . . . 0 CA--C 1.543 0.689 0 C-N-CA 125.679 1.592 . . . . 0.0 111.541 -174.894 . . . . . . . . 0 0 . 1 . 025 nuclear build core ' B' B ' 1' ' ' PHE . . . . . . . . . . . . . 8.0 t80 . . . . . 0 CA--C 1.541 0.62 0 N-CA-C 111.597 0.221 . . . . 0.0 111.597 . . . . . . . . . 0 0 . 1 . 025 nuclear build core ' B' B ' 2' ' ' VAL . . . . . . . . . . . . . 29.8 m -134.59 141.67 42.72 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.921 0 C-N-CA 124.818 1.247 . . . . 0.0 110.951 169.512 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' B' B ' 3' ' ' ASN . . . . . . . . . . . . . 5.9 p-10 -57.1 139.39 52.55 Favored 'General case' 0 CA--C 1.534 0.341 0 C-N-CA 123.849 0.86 . . . . 0.0 112.854 176.59 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' B' B ' 4' ' ' GLN . . . . . . . . . . . . . 7.4 pt20 -169.76 156.93 6.62 Favored 'General case' 0 CA--C 1.535 0.393 0 C-N-CA 125.673 1.589 . . . . 0.0 110.228 179.934 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' B' B ' 5' ' ' HIS . . . . . . . . . . . . . 31.8 m80 -62.9 140.98 58.87 Favored 'General case' 0 CA--C 1.542 0.649 0 C-N-CA 123.907 0.883 . . . . 0.0 109.742 158.649 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 69.0 mt -137.84 134.76 35.5 Favored 'General case' 0 N--CA 1.472 0.628 0 C-N-CA 125.036 1.334 . . . . 0.0 111.623 -172.742 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' B' B ' 7' ' ' CYS . . . . . . . . . . . . . 86.5 m -139.81 158.49 44.01 Favored 'General case' 0 CA--C 1.539 0.557 0 C-N-CA 125.207 1.403 . . . . 0.0 112.635 179.36 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' B' B ' 8' ' ' GLY . . . . . . . . . . . . . . . 52.87 -131.8 40.66 Favored Glycine 0 CA--C 1.533 1.196 0 C-N-CA 124.556 1.074 . . . . 0.0 114.416 168.314 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' B' B ' 9' ' ' SER . . . . . . . . . . . . . 36.0 p -58.35 -34.82 71.07 Favored 'General case' 0 N--CA 1.471 0.594 0 C-N-CA 124.105 0.962 . . . . 0.0 113.402 177.846 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' B' B ' 10' ' ' HIS . . . . . . . . . . . . . 27.2 m-70 -68.48 -38.7 81.28 Favored 'General case' 0 N--CA 1.472 0.644 0 CA-C-N 119.061 0.846 . . . . 0.0 111.932 177.409 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 51.1 tp -66.62 -42.3 87.0 Favored 'General case' 0 N--CA 1.469 0.499 0 C-N-CA 124.244 1.018 . . . . 0.0 111.955 175.476 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 86.5 t -65.71 -47.4 86.11 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.779 0 C-N-CA 123.715 0.806 . . . . 0.0 111.069 175.673 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 38.2 mt-10 -64.91 -39.17 93.1 Favored 'General case' 0 N--CA 1.47 0.569 0 O-C-N 121.458 -0.776 . . . . 0.0 112.339 179.195 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -64.69 -37.03 86.21 Favored 'General case' 0 CA--C 1.54 0.576 0 O-C-N 121.302 -0.874 . . . . 0.0 113.102 -179.731 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 1.8 pp -81.02 -35.56 31.74 Favored 'General case' 0 N--CA 1.467 0.401 0 O-C-N 121.93 -0.481 . . . . 0.0 110.754 178.28 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' B' B ' 16' ' ' TYR . . . . . . . . . . . . . 7.7 t80 -59.96 -37.69 80.32 Favored 'General case' 0 CA--C 1.539 0.557 0 C-N-CA 124.347 1.059 . . . . 0.0 112.26 172.767 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 33.4 mt -69.28 -45.6 69.23 Favored 'General case' 0 N--CA 1.468 0.431 0 C-N-CA 123.942 0.897 . . . . 0.0 111.84 179.357 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' B' B ' 18' ' ' VAL . . . . . . . . . . . . . 5.3 p -73.54 -28.8 25.66 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.859 0 N-CA-C 112.621 0.6 . . . . 0.0 112.621 178.03 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' B' B ' 19' ' ' CYS . . . . . . . . . . . . . 2.0 t -77.48 -21.31 53.01 Favored 'General case' 0 N--CA 1.471 0.597 0 C-N-CA 124.216 1.006 . . . . 0.0 113.26 174.722 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.024 0 C-N-CA 124.159 0.885 . . . . 0.0 113.581 174.208 . . . . . . . . 0 0 . 1 . 026 nuclear build core ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 11.6 tt . . . . . 0 N--CA 1.48 1.044 0 N-CA-C 113.475 0.917 . . . . 0.0 113.475 . . . . . . . . . 0 0 . 1 . 026 nuclear build core ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 40.0 t -56.23 139.87 15.05 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.83 0 C-N-CA 124.237 1.015 . . . . 0.0 110.027 169.838 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . 0.306 9.8 pt-20 48.75 24.07 0.76 Allowed 'General case' 0 CA--C 1.55 0.981 0 C-N-CA 126.422 1.889 . . . . 0.0 115.647 -169.411 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 18.2 mm-40 -112.09 -54.39 2.62 Favored 'General case' 0 N--CA 1.471 0.613 0 C-N-CA 124.764 1.226 . . . . 0.0 110.303 162.45 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 5.4 t -87.31 -6.15 58.63 Favored 'General case' 0 CA--C 1.55 0.953 0 N-CA-C 113.906 1.076 . . . . 0.0 113.906 172.993 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 49.1 t -92.62 -24.33 18.72 Favored 'General case' 0 CA--C 1.546 0.81 0 O-C-N 121.336 -0.853 . . . . 0.0 113.146 174.618 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 5.4 t -93.97 -28.9 15.53 Favored 'General case' 0 N--CA 1.481 1.108 0 C-N-CA 124.269 1.027 . . . . 0.0 113.209 176.858 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 74.4 m -139.27 162.21 35.56 Favored 'General case' 0 N--CA 1.47 0.547 0 C-N-CA 126.587 1.955 . . . . 0.0 110.758 179.426 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 57.4 mt -67.27 142.08 17.05 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.701 0 O-C-N 121.506 -0.746 . . . . 0.0 110.492 174.033 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 17.4 p -124.02 149.94 45.48 Favored 'General case' 0 CA--C 1.541 0.629 0 C-N-CA 124.278 1.031 . . . . 0.0 112.296 168.236 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 54.4 m -95.01 155.41 16.74 Favored 'General case' 0 N--CA 1.474 0.765 0 C-N-CA 124.85 1.26 . . . . 0.0 111.061 171.447 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 2.5 pt? -56.72 -31.04 64.12 Favored 'General case' 0 N--CA 1.474 0.775 0 N-CA-C 113.88 1.067 . . . . 0.0 113.88 178.519 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 26.3 m-85 -61.71 -20.89 63.98 Favored 'General case' 0 CA--C 1.544 0.731 0 C-N-CA 125.064 1.346 . . . . 0.0 113.717 174.74 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 30.3 mt-30 -98.56 -41.6 7.67 Favored 'General case' 0 N--CA 1.468 0.434 0 C-N-CA 126.5 1.92 . . . . 0.0 111.262 171.745 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . 0.256 0.1 OUTLIER -79.96 -25.79 40.25 Favored 'General case' 0 CA--C 1.549 0.918 0 C-N-CA 123.727 0.811 . . . . 0.0 112.688 -168.068 . . . . . . . . 3 3 . 1 . 026 nuclear build core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 39.0 mt-10 -68.64 -24.77 64.59 Favored 'General case' 0 N--CA 1.476 0.841 0 O-C-N 120.85 -1.156 . . . . 0.0 113.237 169.581 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 88.2 m-20 -61.32 -32.32 72.18 Favored 'General case' 0 N--CA 1.474 0.744 0 O-C-N 121.152 -0.967 . . . . 0.0 112.0 -179.857 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 74.5 m-85 -70.77 -19.84 62.67 Favored 'General case' 0 CA--C 1.541 0.6 0 N-CA-C 114.054 1.131 . . . . 0.0 114.054 175.274 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 42.7 t -80.13 -49.32 11.87 Favored 'General case' 0 CA--C 1.54 0.572 0 C-N-CA 123.498 0.719 . . . . 0.0 111.07 169.55 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 25.2 t-20 . . . . . 0 CA--C 1.541 0.619 0 C-N-CA 124.729 1.212 . . . . 0.0 111.525 178.171 . . . . . . . . 0 0 . 1 . 026 nuclear build core ' B' B ' 1' ' ' PHE . . . . . . . . . . . . . 73.6 t80 . . . . . 0 CA--C 1.54 0.559 0 N-CA-C 112.315 0.487 . . . . 0.0 112.315 . . . . . . . . . 0 0 . 1 . 026 nuclear build core ' B' B ' 2' ' ' VAL . . . . . . . . . . . . . 17.9 m -133.35 135.65 55.93 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.755 0 C-N-CA 125.277 1.431 . . . . 0.0 109.715 167.359 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' B' B ' 3' ' ' ASN . . . . . . . . . . . . . 8.5 m-20 -61.47 141.64 57.55 Favored 'General case' 0 CA--C 1.534 0.344 0 CA-C-O 122.114 0.959 . . . . 0.0 113.335 -172.388 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' B' B ' 4' ' ' GLN . . . . . . . . . . . . . 5.9 pt20 -169.58 171.11 7.76 Favored 'General case' 0 CA--C 1.54 0.585 0 C-N-CA 127.933 2.493 . . . . 0.0 107.863 177.63 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' B' B ' 5' ' ' HIS . . . . . . . . . . . . . 17.5 m-70 -78.24 132.72 37.65 Favored 'General case' 0 CA--C 1.541 0.608 0 C-N-CA 124.34 1.056 . . . . 0.0 110.382 164.059 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 3.1 mm? -122.44 142.41 50.58 Favored 'General case' 0 CA--C 1.539 0.552 0 C-N-CA 125.556 1.543 . . . . 0.0 111.109 175.014 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' B' B ' 7' ' ' CYS . . . . . . . . . . . . . 86.9 m -140.63 154.9 46.62 Favored 'General case' 0 CA--C 1.541 0.622 0 C-N-CA 124.465 1.106 . . . . 0.0 112.279 -173.551 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' B' B ' 8' ' ' GLY . . . . . . . . . . . . . . . 53.8 -133.58 44.03 Favored Glycine 0 CA--C 1.535 1.32 0 C-N-CA 124.437 1.018 . . . . 0.0 114.606 169.656 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' B' B ' 9' ' ' SER . . . . . . . . . . . . . 39.9 p -62.74 -30.48 71.46 Favored 'General case' 0 N--CA 1.472 0.655 0 N-CA-C 113.446 0.906 . . . . 0.0 113.446 176.359 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' B' B ' 10' ' ' HIS . . . . . . . . . . . . . 26.5 m-70 -69.49 -30.32 68.16 Favored 'General case' 0 N--CA 1.469 0.49 0 O-C-N 121.444 -0.785 . . . . 0.0 111.74 177.296 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 45.6 tp -68.93 -41.05 78.62 Favored 'General case' 0 CA--C 1.538 0.501 0 C-N-CA 124.179 0.992 . . . . 0.0 112.099 173.095 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 71.6 t -66.23 -43.21 91.9 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.787 0 C-N-CA 123.764 0.825 . . . . 0.0 111.015 176.487 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 40.4 mt-10 -66.59 -43.45 84.84 Favored 'General case' 0 N--CA 1.469 0.507 0 O-C-N 121.468 -0.77 . . . . 0.0 111.987 174.421 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -62.2 -39.51 93.01 Favored 'General case' 0 CA--C 1.537 0.454 0 CA-C-N 119.139 0.882 . . . . 0.0 112.735 179.753 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' B' B ' 15' ' ' LEU . . . . . 0.433 ' HA ' HG12 ' B' ' 18' ' ' VAL . 2.1 pp -74.22 -34.13 63.59 Favored 'General case' 0 N--CA 1.468 0.462 0 CA-C-N 118.938 0.79 . . . . 0.0 111.834 -179.747 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' B' B ' 16' ' ' TYR . . . . . . . . . . . . . 2.9 t80 -63.64 -44.64 93.28 Favored 'General case' 0 CA--C 1.541 0.621 0 C-N-CA 123.794 0.838 . . . . 0.0 111.14 171.177 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 47.3 mt -69.54 -44.13 71.56 Favored 'General case' 0 N--CA 1.469 0.498 0 C-N-CA 124.191 0.996 . . . . 0.0 112.635 -177.632 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' B' B ' 18' ' ' VAL . . . . . 0.433 HG12 ' HA ' ' B' ' 15' ' ' LEU . 5.3 p -74.58 -28.16 21.84 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.819 0 C-N-CA 123.106 0.562 . . . . 0.0 112.252 -178.447 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' B' B ' 19' ' ' CYS . . . . . . . . . . . . . 48.8 t -75.5 -37.76 59.95 Favored 'General case' 0 CA--C 1.536 0.412 0 C-N-CA 123.823 0.849 . . . . 0.0 112.434 172.198 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.537 1.432 0 O-C-N 121.687 -0.633 . . . . 0.0 113.336 -176.696 . . . . . . . . 0 0 . 1 . 027 nuclear build core ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 11.6 tt . . . . . 0 N--CA 1.475 0.787 0 N-CA-C 113.695 0.998 . . . . 0.0 113.695 . . . . . . . . . 0 0 . 1 . 027 nuclear build core ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 7.5 p -59.94 -45.19 95.51 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.705 0 C-N-CA 123.923 0.889 . . . . 0.0 111.642 178.604 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 34.6 tt0 -73.77 -32.48 63.82 Favored 'General case' 0 CA--C 1.539 0.535 0 O-C-N 121.172 -0.955 . . . . 0.0 112.68 179.851 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 74.2 mt-30 -75.38 -33.24 61.01 Favored 'General case' 0 CA--C 1.538 0.505 0 N-CA-C 113.399 0.889 . . . . 0.0 113.399 176.127 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 71.3 m -109.4 -31.39 7.55 Favored 'General case' 0 CA--C 1.549 0.909 0 N-CA-C 116.266 1.951 . . . . 0.0 116.266 -171.613 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 89.5 m -87.2 -26.77 23.37 Favored 'General case' 0 N--CA 1.479 0.991 0 CA-C-N 120.989 1.722 . . . . 0.0 113.797 -171.199 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 13.8 t -111.26 -17.34 13.19 Favored 'General case' 0 N--CA 1.482 1.142 0 C-N-CA 125.229 1.412 . . . . 0.0 113.504 -176.218 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 80.0 p -144.16 173.47 11.71 Favored 'General case' 0 CA--C 1.541 0.596 0 C-N-CA 126.405 1.882 . . . . 0.0 110.697 171.594 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 51.3 mt -73.81 139.27 19.65 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.74 0 O-C-N 121.185 -0.947 . . . . 0.0 111.321 -179.402 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 18.5 p -124.71 158.84 32.26 Favored 'General case' 0 CA--C 1.541 0.602 0 C-N-CA 124.65 1.18 . . . . 0.0 112.126 166.83 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 64.7 p -98.64 166.81 11.15 Favored 'General case' 0 N--CA 1.468 0.46 0 C-N-CA 124.659 1.184 . . . . 0.0 112.563 179.26 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 2.2 pp -57.99 -29.88 65.61 Favored 'General case' 0 CA--C 1.543 0.706 0 C-N-CA 123.439 0.695 . . . . 0.0 112.275 169.124 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 48.0 m-85 -73.95 -29.03 61.79 Favored 'General case' 0 CA--C 1.539 0.52 0 C-N-CA 123.93 0.892 . . . . 0.0 112.514 179.961 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 42.0 mt-30 -73.47 -42.83 61.4 Favored 'General case' 0 N--CA 1.468 0.444 0 C-N-CA 123.843 0.857 . . . . 0.0 111.167 172.257 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 98.9 mt -57.84 -34.54 69.81 Favored 'General case' 0 CA--C 1.545 0.779 0 N-CA-C 113.282 0.845 . . . . 0.0 113.282 176.378 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 41.7 mt-10 -61.25 -21.72 64.15 Favored 'General case' 0 N--CA 1.475 0.796 0 N-CA-C 113.99 1.107 . . . . 0.0 113.99 175.801 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 80.6 m-20 -71.75 -23.47 61.61 Favored 'General case' 0 CA--C 1.544 0.735 0 O-C-N 121.254 -0.904 . . . . 0.0 112.347 174.524 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 55.4 m-85 -102.08 -24.52 13.95 Favored 'General case' 0 N--CA 1.471 0.605 0 N-CA-C 114.924 1.453 . . . . 0.0 114.924 -171.055 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 19.2 p -73.69 -27.23 61.11 Favored 'General case' 0 CA--C 1.54 0.583 0 N-CA-C 114.752 1.39 . . . . 0.0 114.752 -174.102 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 57.6 t-20 . . . . . 0 CA--C 1.544 0.713 0 C-N-CA 126.22 1.808 . . . . 0.0 112.629 -174.205 . . . . . . . . 0 0 . 1 . 027 nuclear build core ' B' B ' 1' ' ' PHE . . . . . . . . . . . . . 43.6 t80 . . . . . 0 CA--C 1.542 0.664 0 N-CA-C 112.126 0.417 . . . . 0.0 112.126 . . . . . . . . . 0 0 . 1 . 027 nuclear build core ' B' B ' 2' ' ' VAL . . . . . . . . . . . . . 47.7 t -136.4 129.47 46.19 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.821 0 C-N-CA 125.419 1.488 . . . . 0.0 108.915 172.779 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' B' B ' 3' ' ' ASN . . . . . . . . . . . . . 75.6 m-20 -59.8 136.9 58.14 Favored 'General case' 0 N--CA 1.469 0.49 0 CA-C-O 121.149 0.499 . . . . 0.0 111.817 178.898 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' B' B ' 4' ' ' GLN . . . . . . . . . . . . . 6.7 pt20 -164.99 163.92 20.67 Favored 'General case' 0 CA--C 1.536 0.442 0 C-N-CA 125.194 1.397 . . . . 0.0 110.347 179.687 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' B' B ' 5' ' ' HIS . . . . . . . . . . . . . 21.1 m-70 -72.0 72.41 0.85 Allowed 'General case' 0 CA--C 1.549 0.906 0 C-N-CA 125.945 1.698 . . . . 0.0 111.635 171.621 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 74.0 mt -66.16 131.31 45.87 Favored 'General case' 0 N--CA 1.471 0.585 0 C-N-CA 124.629 1.171 . . . . 0.0 112.36 -178.11 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' B' B ' 7' ' ' CYS . . . . . . . . . . . . . 2.4 t -151.83 161.82 42.04 Favored 'General case' 0 CA--C 1.541 0.615 0 N-CA-C 112.951 0.723 . . . . 0.0 112.951 176.799 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' B' B ' 8' ' ' GLY . . . . . . . . . . . . . . . 57.76 -136.18 51.03 Favored Glycine 0 CA--C 1.534 1.236 0 C-N-CA 124.135 0.874 . . . . 0.0 113.12 178.165 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' B' B ' 9' ' ' SER . . . . . . . . . . . . . 25.5 m -57.65 -36.73 72.25 Favored 'General case' 0 N--CA 1.472 0.671 0 C-N-CA 123.795 0.838 . . . . 0.0 112.787 178.533 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' B' B ' 10' ' ' HIS . . . . . . . . . . . . . 32.4 m170 -62.99 -37.48 87.3 Favored 'General case' 0 N--CA 1.471 0.622 0 C-N-CA 123.644 0.778 . . . . 0.0 112.354 178.164 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 48.4 tp -68.2 -42.19 80.22 Favored 'General case' 0 CA--C 1.537 0.465 0 C-N-CA 124.068 0.947 . . . . 0.0 112.073 176.76 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 86.7 t -66.45 -43.8 90.83 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.741 0 C-N-CA 123.786 0.834 . . . . 0.0 111.022 176.538 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 42.7 mt-10 -64.5 -41.64 96.31 Favored 'General case' 0 N--CA 1.469 0.493 0 O-C-N 121.534 -0.729 . . . . 0.0 112.055 176.472 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -64.6 -36.5 84.45 Favored 'General case' 0 CA--C 1.543 0.673 0 N-CA-C 113.37 0.878 . . . . 0.0 113.37 -178.1 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' B' B ' 15' ' ' LEU . . . . . 0.422 ' HA ' HG12 ' B' ' 18' ' ' VAL . 3.8 pp -80.95 -31.2 35.0 Favored 'General case' 0 N--CA 1.47 0.555 0 O-C-N 121.56 -0.712 . . . . 0.0 112.208 178.83 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' B' B ' 16' ' ' TYR . . . . . . . . . . . . . 5.7 t80 -63.44 -39.63 94.99 Favored 'General case' 0 CA--C 1.542 0.667 0 C-N-CA 124.693 1.197 . . . . 0.0 111.12 169.561 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 36.7 mt -71.97 -48.61 43.79 Favored 'General case' 0 N--CA 1.466 0.367 0 C-N-CA 124.5 1.12 . . . . 0.0 112.856 178.076 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' B' B ' 18' ' ' VAL . . . . . 0.422 HG12 ' HA ' ' B' ' 15' ' ' LEU . 4.4 p -65.84 -32.78 59.68 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.812 0 CA-C-N 118.332 0.514 . . . . 0.0 112.029 -174.646 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' B' B ' 19' ' ' CYS . . . . . . . . . . . . . 84.0 m -93.07 -27.44 16.96 Favored 'General case' 0 CA--C 1.538 0.483 0 N-CA-C 113.351 0.871 . . . . 0.0 113.351 -179.689 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.533 1.186 0 C-N-CA 124.497 1.046 . . . . 0.0 114.473 173.226 . . . . . . . . 0 0 . 1 . 028 nuclear build core ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 5.1 tp . . . . . 0 N--CA 1.48 1.036 0 CA-C-O 121.127 0.489 . . . . 0.0 110.88 . . . . . . . . . 0 0 . 1 . 028 nuclear build core ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 44.3 t -65.86 153.76 8.17 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.702 0 C-N-CA 124.933 1.293 . . . . 0.0 110.132 165.709 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 39.5 mt-10 66.07 -60.31 0.3 Allowed 'General case' 0 N--CA 1.47 0.57 0 C-N-CA 127.828 2.451 . . . . 0.0 112.392 -161.59 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 3.5 mp0 -59.54 -40.58 87.71 Favored 'General case' 0 N--CA 1.474 0.748 0 CA-C-N 119.396 0.998 . . . . 0.0 113.69 -171.55 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 19.1 m -94.3 -4.7 48.25 Favored 'General case' 0 CA--C 1.546 0.823 0 N-CA-C 114.856 1.428 . . . . 0.0 114.856 174.716 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 51.2 t -99.92 -31.33 11.53 Favored 'General case' 0 CA--C 1.545 0.786 0 C-N-CA 125.166 1.386 . . . . 0.0 113.724 179.826 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 6.2 t -78.92 -20.46 49.3 Favored 'General case' 0 N--CA 1.479 0.977 0 C-N-CA 125.202 1.401 . . . . 0.0 113.352 -175.44 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 8.6 t -145.96 175.75 10.21 Favored 'General case' 0 CA--C 1.537 0.48 0 C-N-CA 126.126 1.771 . . . . 0.0 110.255 172.168 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 26.2 mt -61.26 138.02 22.63 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.65 0 C-N-CA 123.611 0.764 . . . . 0.0 110.886 176.18 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 6.6 t -136.27 143.75 44.41 Favored 'General case' 0 CA--C 1.54 0.569 0 C-N-CA 124.949 1.299 . . . . 0.0 111.378 177.722 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 40.0 m -125.46 160.16 30.15 Favored 'General case' 0 N--CA 1.473 0.679 0 C-N-CA 125.012 1.325 . . . . 0.0 112.254 -167.3 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 2.2 pp -57.56 -32.92 67.61 Favored 'General case' 0 N--CA 1.473 0.707 0 O-C-N 121.41 -0.806 . . . . 0.0 113.111 -174.424 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 52.5 m-85 -65.56 -23.02 66.75 Favored 'General case' 0 CA--C 1.54 0.585 0 C-N-CA 125.175 1.39 . . . . 0.0 113.392 177.434 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 40.7 mt-30 -82.55 -46.72 13.0 Favored 'General case' 0 N--CA 1.466 0.348 0 C-N-CA 124.747 1.219 . . . . 0.0 110.442 170.981 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 86.5 mt -56.22 -31.11 63.2 Favored 'General case' 0 N--CA 1.474 0.741 0 C-N-CA 125.049 1.34 . . . . 0.0 113.455 179.664 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 62.1 mt-10 -59.53 -27.02 65.82 Favored 'General case' 0 CA--C 1.544 0.72 0 N-CA-C 113.917 1.08 . . . . 0.0 113.917 175.029 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 43.7 m-80 -73.2 -29.71 63.01 Favored 'General case' 0 N--CA 1.473 0.692 0 O-C-N 121.18 -0.95 . . . . 0.0 111.967 175.658 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 83.4 m-85 -78.74 -31.93 46.52 Favored 'General case' 0 CA--C 1.541 0.608 0 C-N-CA 124.673 1.189 . . . . 0.0 111.643 174.358 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 41.3 t -64.84 -45.75 84.82 Favored 'General case' 0 CA--C 1.545 0.767 0 C-N-CA 124.422 1.089 . . . . 0.0 111.851 168.934 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 50.8 t-20 . . . . . 0 CA--C 1.543 0.691 0 C-N-CA 125.147 1.379 . . . . 0.0 111.456 179.308 . . . . . . . . 0 0 . 1 . 028 nuclear build core ' B' B ' 1' ' ' PHE . . . . . . . . . . . . . 42.3 t80 . . . . . 0 CA--C 1.541 0.634 0 N-CA-C 112.052 0.39 . . . . 0.0 112.052 . . . . . . . . . 0 0 . 1 . 028 nuclear build core ' B' B ' 2' ' ' VAL . . . . . . . . . . . . . 48.3 t -136.32 127.49 42.9 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.927 0 C-N-CA 125.363 1.465 . . . . 0.0 109.367 174.639 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' B' B ' 3' ' ' ASN . . . . . . . . . . . . . 38.6 m-20 -63.02 138.5 58.58 Favored 'General case' 0 N--CA 1.469 0.485 0 C-N-CA 123.094 0.557 . . . . 0.0 111.467 -179.539 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' B' B ' 4' ' ' GLN . . . . . . . . . . . . . 8.0 pt20 -165.54 163.55 19.41 Favored 'General case' 0 CA--C 1.532 0.28 0 C-N-CA 124.617 1.167 . . . . 0.0 110.792 -177.098 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' B' B ' 5' ' ' HIS . . . . . . . . . . . . . 24.4 m-70 -69.58 77.76 0.42 Allowed 'General case' 0 CA--C 1.544 0.745 0 C-N-CA 125.882 1.673 . . . . 0.0 110.238 164.79 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 42.3 mt -62.53 119.34 8.99 Favored 'General case' 0 N--CA 1.47 0.545 0 C-N-CA 124.931 1.293 . . . . 0.0 112.535 -172.755 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' B' B ' 7' ' ' CYS . . . . . . . . . . . . . 0.7 OUTLIER -163.56 178.72 7.76 Favored 'General case' 0 CA--C 1.542 0.651 0 C-N-CA 123.952 0.901 . . . . 0.0 111.564 -174.981 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' B' B ' 8' ' ' GLY . . . . . . . . . . . . . . . 61.03 37.62 94.18 Favored Glycine 0 N--CA 1.478 1.435 0 O-C-N 120.661 -1.275 . . . . 0.0 115.006 170.47 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' B' B ' 9' ' ' SER . . . . . . . . . . . . . 1.6 t 70.22 -8.82 0.81 Allowed 'General case' 0 N--CA 1.476 0.861 0 C-N-CA 128.653 2.781 . . . . 0.0 116.255 -172.426 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' B' B ' 10' ' ' HIS . . . . . . . . . . . . . 28.6 m-70 -62.11 -32.0 72.51 Favored 'General case' 0 N--CA 1.479 0.983 0 O-C-N 120.125 -1.61 . . . . 0.0 111.273 167.439 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 55.3 tp -58.33 -42.83 87.65 Favored 'General case' 0 CA--C 1.538 0.496 0 C-N-CA 125.634 1.574 . . . . 0.0 112.869 170.965 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 47.3 t -70.64 -43.19 77.77 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.664 0 C-N-CA 124.031 0.932 . . . . 0.0 110.337 179.508 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 45.3 mt-10 -63.89 -40.57 96.83 Favored 'General case' 0 N--CA 1.471 0.594 0 O-C-N 121.801 -0.562 . . . . 0.0 112.286 175.303 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -64.37 -39.17 93.35 Favored 'General case' 0 CA--C 1.541 0.632 0 O-C-N 121.346 -0.847 . . . . 0.0 112.935 179.559 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' B' B ' 15' ' ' LEU . . . . . 0.423 ' HA ' HG12 ' B' ' 18' ' ' VAL . 3.6 pp -79.62 -30.21 41.31 Favored 'General case' 0 N--CA 1.468 0.461 0 O-C-N 121.811 -0.555 . . . . 0.0 111.731 178.278 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' B' B ' 16' ' ' TYR . . . . . . . . . . . . . 3.6 t80 -62.34 -40.78 97.49 Favored 'General case' 0 CA--C 1.54 0.577 0 C-N-CA 123.814 0.845 . . . . 0.0 111.423 170.033 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 40.4 mt -67.94 -47.67 68.05 Favored 'General case' 0 N--CA 1.467 0.399 0 C-N-CA 123.284 0.634 . . . . 0.0 112.128 -179.499 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' B' B ' 18' ' ' VAL . . . . . 0.423 HG12 ' HA ' ' B' ' 15' ' ' LEU . 5.1 p -73.22 -27.39 24.02 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.953 0 N-CA-C 113.183 0.809 . . . . 0.0 113.183 -177.451 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' B' B ' 19' ' ' CYS . . . . . . . . . . . . . 6.5 t -90.43 -37.18 14.13 Favored 'General case' 0 CA--C 1.542 0.655 0 C-N-CA 124.009 0.924 . . . . 0.0 112.78 -179.624 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.536 1.362 0 C-N-CA 124.959 1.266 . . . . 0.0 115.097 -178.076 . . . . . . . . 0 0 . 1 . 029 nuclear build core ' A' A ' 2' ' ' ILE . . . . . 0.439 HD13 ' CD2' ' A' ' 19' ' ' TYR . 4.7 tp . . . . . 0 N--CA 1.48 1.067 0 N-CA-C 114.814 1.413 . . . . 0.0 114.814 . . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 7.1 p -68.4 -46.25 80.9 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.872 0 O-C-N 121.264 -0.897 . . . . 0.0 111.968 178.62 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 41.4 tt0 -67.69 -29.15 68.35 Favored 'General case' 0 CA--C 1.543 0.697 0 C-N-CA 124.169 0.988 . . . . 0.0 112.525 177.682 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 6.3 tp-100 -63.35 -40.02 96.13 Favored 'General case' 0 CA--C 1.538 0.496 0 C-N-CA 124.213 1.005 . . . . 0.0 112.178 175.954 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 90.6 m -119.18 -25.22 6.21 Favored 'General case' 0 CA--C 1.544 0.722 0 N-CA-C 116.183 1.92 . . . . 0.0 116.183 -164.377 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 19.9 t -81.37 -30.36 33.74 Favored 'General case' 0 CA--C 1.543 0.71 0 CA-C-N 119.904 1.229 . . . . 0.0 113.012 -170.775 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 10.7 t -101.22 -18.43 16.15 Favored 'General case' 0 N--CA 1.479 0.996 0 C-N-CA 125.153 1.381 . . . . 0.0 113.895 -176.586 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 8.3 t -151.85 167.61 27.75 Favored 'General case' 0 N--CA 1.472 0.648 0 C-N-CA 125.556 1.542 . . . . 0.0 111.303 179.324 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 25.1 mt -61.01 139.15 20.79 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.599 0 C-N-CA 124.322 1.049 . . . . 0.0 111.3 178.389 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 14.4 p -132.55 167.99 19.03 Favored 'General case' 0 CA--C 1.543 0.701 0 C-N-CA 124.193 0.997 . . . . 0.0 112.194 168.794 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 65.4 m -129.19 159.1 37.11 Favored 'General case' 0 N--CA 1.474 0.75 0 C-N-CA 124.8 1.24 . . . . 0.0 112.559 -173.401 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 2.0 pp -58.33 -31.98 68.06 Favored 'General case' 0 N--CA 1.472 0.639 0 C-N-CA 124.081 0.953 . . . . 0.0 113.113 -175.611 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 51.2 m-85 -66.43 -22.12 66.22 Favored 'General case' 0 CA--C 1.54 0.56 0 C-N-CA 125.251 1.421 . . . . 0.0 113.312 177.315 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 38.6 mt-30 -85.69 -40.65 15.92 Favored 'General case' 0 N--CA 1.467 0.413 0 C-N-CA 124.765 1.226 . . . . 0.0 110.8 172.153 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 83.7 mt -60.84 -32.33 71.73 Favored 'General case' 0 CA--C 1.544 0.74 0 C-N-CA 123.491 0.716 . . . . 0.0 112.663 173.728 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 5.0 mm-40 -58.27 -29.49 65.84 Favored 'General case' 0 N--CA 1.473 0.682 0 C-N-CA 124.723 1.209 . . . . 0.0 113.437 171.85 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 83.9 m-20 -69.82 -34.55 73.83 Favored 'General case' 0 CA--C 1.54 0.576 0 O-C-N 120.889 -1.132 . . . . 0.0 111.527 176.773 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 19' ' ' TYR . . . . . 0.439 ' CD2' HD13 ' A' ' 2' ' ' ILE . 38.6 m-85 -78.45 -27.96 46.53 Favored 'General case' 0 CA--C 1.541 0.62 0 C-N-CA 124.095 0.958 . . . . 0.0 112.367 174.795 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 41.0 t -63.84 -36.93 85.52 Favored 'General case' 0 CA--C 1.546 0.809 0 C-N-CA 123.884 0.874 . . . . 0.0 112.091 167.799 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 CA--C 1.541 0.599 0 C-N-CA 124.676 1.19 . . . . 0.0 112.044 176.543 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' B' B ' 1' ' ' PHE . . . . . . . . . . . . . 37.6 t80 . . . . . 0 CA--C 1.541 0.611 0 N-CA-C 111.994 0.368 . . . . 0.0 111.994 . . . . . . . . . 0 0 . 1 . 029 nuclear build core ' B' B ' 2' ' ' VAL . . . . . . . . . . . . . 48.3 t -137.75 131.55 43.15 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.838 0 C-N-CA 125.497 1.519 . . . . 0.0 108.652 170.193 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' B' B ' 3' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -56.94 137.88 54.81 Favored 'General case' 0 N--CA 1.47 0.551 0 N-CA-C 113.232 0.826 . . . . 0.0 113.232 177.6 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' B' B ' 4' ' ' GLN . . . . . . . . . . . . . 7.7 pt20 -168.55 160.98 11.33 Favored 'General case' 0 N--CA 1.45 -0.449 0 C-N-CA 126.605 1.962 . . . . 0.0 108.934 -177.963 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' B' B ' 5' ' ' HIS . . . . . . . . . . . . . 14.9 m80 -61.2 135.83 57.87 Favored 'General case' 0 CA--C 1.541 0.629 0 C-N-CA 124.701 1.201 . . . . 0.0 109.593 161.753 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 63.0 mt -139.46 130.03 25.78 Favored 'General case' 0 N--CA 1.471 0.593 0 C-N-CA 124.963 1.305 . . . . 0.0 110.572 -176.663 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' B' B ' 7' ' ' CYS . . . . . . . . . . . . . 3.0 t -149.53 161.28 42.45 Favored 'General case' 0 CA--C 1.54 0.583 0 C-N-CA 123.41 0.684 . . . . 0.0 112.454 178.765 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' B' B ' 8' ' ' GLY . . . . . . . . . . . . . . . 57.46 -138.34 48.23 Favored Glycine 0 CA--C 1.533 1.211 0 C-N-CA 124.112 0.863 . . . . 0.0 113.07 179.574 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' B' B ' 9' ' ' SER . . . . . . . . . . . . . 21.4 m -57.61 -32.73 67.51 Favored 'General case' 0 N--CA 1.472 0.636 0 C-N-CA 123.958 0.903 . . . . 0.0 113.296 179.447 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' B' B ' 10' ' ' HIS . . . . . . . . . . . . . 29.1 m-70 -67.34 -36.69 81.94 Favored 'General case' 0 N--CA 1.473 0.705 0 O-C-N 121.528 -0.732 . . . . 0.0 112.025 177.885 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 41.3 tp -68.5 -41.93 79.32 Favored 'General case' 0 N--CA 1.469 0.478 0 C-N-CA 123.58 0.752 . . . . 0.0 111.945 174.393 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 85.8 t -62.8 -45.32 99.15 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.794 0 C-N-CA 123.752 0.821 . . . . 0.0 110.888 175.794 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 37.8 mt-10 -64.82 -40.6 95.48 Favored 'General case' 0 CA--C 1.537 0.46 0 O-C-N 121.625 -0.672 . . . . 0.0 112.229 176.77 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -62.49 -39.96 95.18 Favored 'General case' 0 CA--C 1.542 0.669 0 CA-C-N 119.133 0.878 . . . . 0.0 112.826 178.112 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' B' B ' 15' ' ' LEU . . . . . 0.408 ' HA ' HG12 ' B' ' 18' ' ' VAL . 3.5 pp -78.76 -27.06 44.63 Favored 'General case' 0 CA--C 1.54 0.559 0 O-C-N 121.805 -0.56 . . . . 0.0 112.476 178.04 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' B' B ' 16' ' ' TYR . . . . . . . . . . . . . 1.5 t80 -67.09 -40.99 87.07 Favored 'General case' 0 CA--C 1.537 0.472 0 C-N-CA 123.774 0.829 . . . . 0.0 111.708 169.204 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 39.2 mt -67.77 -44.25 77.9 Favored 'General case' 0 CA--C 1.535 0.393 0 O-C-N 121.413 -0.804 . . . . 0.0 112.127 -178.901 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' B' B ' 18' ' ' VAL . . . . . 0.408 HG12 ' HA ' ' B' ' 15' ' ' LEU . 4.8 p -72.59 -32.81 42.77 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.729 0 C-N-CA 122.834 0.453 . . . . 0.0 112.154 -179.441 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' B' B ' 19' ' ' CYS . . . . . . . . . . . . . 9.1 t -89.35 -40.66 12.62 Favored 'General case' 0 CA--C 1.539 0.556 0 C-N-CA 123.493 0.717 . . . . 0.0 112.897 -175.033 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.533 1.21 0 C-N-CA 124.695 1.141 . . . . 0.0 114.284 176.885 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.681 0 N-CA-C 112.635 -0.186 . . . . 0.0 112.635 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -55.36 -40.93 59.59 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.967 0 C-N-CA 126.124 1.77 . . . . 0.0 113.6 -171.332 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 7.2 p -61.89 -41.79 92.13 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.751 0 C-N-CA 124.123 0.969 . . . . 0.0 112.635 178.479 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 41.2 mt-10 -68.83 -54.09 17.78 Favored 'General case' 0 C--N 1.331 -0.207 0 C-N-CA 123.938 0.895 . . . . 0.0 109.641 174.735 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 18.6 mm100 -54.36 -45.77 72.85 Favored 'General case' 0 CA--C 1.536 0.41 0 C-N-CA 124.384 1.074 . . . . 0.0 112.453 -175.874 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 75.1 m -87.51 -13.5 42.87 Favored 'General case' 0 CA--C 1.538 0.504 0 N-CA-C 114.944 1.461 . . . . 0.0 114.944 -177.516 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 8.3 t -98.37 -20.13 17.34 Favored 'General case' 0 CA--C 1.548 0.875 0 CA-C-N 119.585 1.084 . . . . 0.0 113.045 174.514 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 1.5 t -94.17 -26.95 16.47 Favored 'General case' 0 N--CA 1.478 0.973 0 C-N-CA 125.294 1.438 . . . . 0.0 113.347 174.186 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 67.8 m -135.83 162.55 32.48 Favored 'General case' 0 N--CA 1.473 0.699 0 C-N-CA 126.504 1.922 . . . . 0.0 110.956 176.238 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 53.4 mt -67.57 139.44 20.9 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.729 0 O-C-N 121.301 -0.875 . . . . 0.0 111.486 -179.279 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 57.6 m -125.46 111.51 15.18 Favored 'General case' 0 CA--C 1.535 0.393 0 C-N-CA 124.482 1.113 . . . . 0.0 110.918 168.084 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 3.7 t -72.88 169.99 15.68 Favored 'General case' 0 N--CA 1.468 0.431 0 C-N-CA 123.681 0.793 . . . . 0.0 111.305 167.0 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 2.3 pt? -57.67 -31.0 65.9 Favored 'General case' 0 CA--C 1.542 0.657 0 O-C-N 121.502 -0.749 . . . . 0.0 111.954 170.806 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 26.6 m-85 -68.47 -20.81 64.64 Favored 'General case' 0 N--CA 1.471 0.608 0 C-N-CA 124.28 1.032 . . . . 0.0 113.519 177.984 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 40.2 mt-30 -93.41 -48.32 6.46 Favored 'General case' 0 N--CA 1.468 0.443 0 C-N-CA 125.84 1.656 . . . . 0.0 111.093 174.724 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 95.7 mt -58.61 -35.26 72.18 Favored 'General case' 0 N--CA 1.47 0.552 0 C-N-CA 124.776 1.23 . . . . 0.0 113.6 -178.689 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -60.45 -33.1 72.06 Favored 'General case' 0 N--CA 1.471 0.608 0 N-CA-C 113.749 1.018 . . . . 0.0 113.749 -179.516 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 43.9 m-80 -61.71 -35.96 79.55 Favored 'General case' 0 N--CA 1.472 0.636 0 C-N-CA 123.346 0.658 . . . . 0.0 111.971 178.434 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 96.9 m-85 -75.05 -11.31 60.07 Favored 'General case' 0 CA--C 1.54 0.56 0 N-CA-C 114.581 1.326 . . . . 0.0 114.581 -176.994 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 10.1 t -73.8 -25.08 59.93 Favored 'General case' 0 CA--C 1.546 0.817 0 CA-C-N 118.763 0.71 . . . . 0.0 112.704 174.083 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 25.2 t-20 . . . . . 0 CA--C 1.543 0.691 0 C-N-CA 124.643 1.177 . . . . 0.0 112.264 179.69 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' B' B ' 1' ' ' PHE . . . . . . . . . . . . . 6.5 t80 . . . . . 0 CA--C 1.542 0.652 0 CA-C-O 120.9 0.381 . . . . 0.0 111.902 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' B' B ' 2' ' ' VAL . . . . . . . . . . . . . 7.5 p -145.71 145.83 19.98 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.801 0 C-N-CA 124.821 1.248 . . . . 0.0 111.103 169.336 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 3' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -62.7 130.57 45.56 Favored 'General case' 0 N--CA 1.451 -0.42 0 N-CA-C 113.98 1.104 . . . . 0.0 113.98 -172.647 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 4' ' ' GLN . . . . . . . . . . . . . 7.3 pt20 -162.78 153.11 16.45 Favored 'General case' 0 CA--C 1.537 0.444 0 C-N-CA 125.022 1.329 . . . . 0.0 111.045 -179.539 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 5' ' ' HIS . . . . . . . . . . . . . 31.9 m-70 -71.57 145.03 49.32 Favored 'General case' 0 CA--C 1.541 0.606 0 C-N-CA 124.629 1.171 . . . . 0.0 109.992 161.413 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 70.4 mt -139.71 139.03 36.46 Favored 'General case' 0 N--CA 1.47 0.565 0 C-N-CA 125.656 1.582 . . . . 0.0 111.397 -172.741 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 7' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -136.2 154.17 51.02 Favored 'General case' 0 CA--C 1.542 0.668 0 C-N-CA 124.356 1.062 . . . . 0.0 111.469 -178.272 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 8' ' ' GLY . . . . . . . . . . . . . . . 49.37 -123.89 13.11 Favored Glycine 0 CA--C 1.537 1.457 0 C-N-CA 124.576 1.084 . . . . 0.0 115.37 168.251 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 9' ' ' SER . . . . . . . . . . . . . 35.2 p -62.8 -38.28 90.07 Favored 'General case' 0 N--CA 1.471 0.589 0 C-N-CA 124.866 1.266 . . . . 0.0 113.544 179.138 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 10' ' ' HIS . . . . . . . . . . . . . 32.1 m170 -61.6 -40.23 94.05 Favored 'General case' 0 N--CA 1.471 0.613 0 O-C-N 121.408 -0.807 . . . . 0.0 111.451 174.929 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 58.9 tp -70.45 -46.82 63.1 Favored 'General case' 0 CA--C 1.534 0.358 0 C-N-CA 124.367 1.067 . . . . 0.0 112.65 178.187 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 1.7 p -67.49 -36.51 76.58 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.719 0 CA-C-N 118.094 0.406 . . . . 0.0 111.996 -176.362 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 42.0 mt-10 -68.52 -41.18 80.31 Favored 'General case' 0 CA--C 1.536 0.438 0 O-C-N 121.691 -0.631 . . . . 0.0 112.127 172.471 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -63.19 -37.24 86.44 Favored 'General case' 0 CA--C 1.545 0.772 0 O-C-N 121.131 -0.981 . . . . 0.0 113.145 -179.291 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 4.2 pp -79.77 -28.64 40.33 Favored 'General case' 0 N--CA 1.472 0.667 0 O-C-N 121.608 -0.682 . . . . 0.0 112.671 176.914 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 16' ' ' TYR . . . . . . . . . . . . . 2.5 t80 -65.7 -38.4 89.14 Favored 'General case' 0 CA--C 1.541 0.604 0 C-N-CA 123.574 0.749 . . . . 0.0 111.636 169.259 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 26.6 mt -71.8 -41.28 68.47 Favored 'General case' 0 N--CA 1.467 0.406 0 C-N-CA 123.978 0.911 . . . . 0.0 112.291 -175.249 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 18' ' ' VAL . . . . . . . . . . . . . 10.8 p -71.54 -34.48 53.02 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.689 0 C-N-CA 122.904 0.481 . . . . 0.0 111.821 175.112 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 19' ' ' CYS . . . . . . . . . . . . . 16.3 t -77.26 -34.91 55.65 Favored 'General case' 0 CA--C 1.541 0.609 0 N-CA-C 113.404 0.89 . . . . 0.0 113.404 -179.607 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . 73.35 17.29 78.83 Favored Glycine 0 CA--C 1.538 1.492 0 C-N-CA 124.487 1.042 . . . . 0.0 114.184 -174.972 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 35.4 tt0 -145.17 142.53 29.68 Favored 'General case' 0 CA--C 1.542 0.636 0 C-N-CA 125.532 1.533 . . . . 0.0 111.403 -175.344 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 22' ' ' ARG . . . . . . . . . . . . . 11.2 ptm180 -75.07 -33.87 61.73 Favored 'General case' 0 N--CA 1.478 0.935 0 N-CA-C 115.627 1.714 . . . . 0.0 115.627 -171.293 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . 63.97 -168.67 23.56 Favored Glycine 0 CA--C 1.539 1.59 0 CA-C-N 118.263 0.483 . . . . 0.0 113.041 -162.409 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 24' ' ' DHI . . . . . 0.468 ' HD1' ' H ' ' B' ' 25' ' ' PHE . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 25' ' ' PHE . . . . . 0.468 ' H ' ' HD1' ' B' ' 24' ' ' DHI . 36.9 m-85 -78.38 175.0 10.67 Favored 'General case' 0 CA--C 1.544 0.738 0 C-N-CA 125.403 1.481 . . . . 0.0 112.397 -178.826 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 26' ' ' TYR . . . . . . . . . . . . . 77.1 m-85 -54.47 131.07 41.8 Favored 'General case' 0 CA--C 1.542 0.668 0 C-N-CA 124.019 0.928 . . . . 0.0 111.499 176.335 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 27' ' ' THR . . . . . . . . . . . . . 26.1 m 51.88 80.05 0.32 Allowed Pre-proline 0 N--CA 1.48 1.049 0 C-N-CA 125.518 1.527 . . . . 0.0 111.735 -163.314 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 28' ' ' PRO . . . . . . . . . . . . . 81.1 Cg_exo -53.38 140.17 63.61 Favored 'Trans proline' 0 C--N 1.353 0.772 0 C-N-CA 124.071 3.181 . . . . 0.0 114.261 -177.04 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 14.5 mmmm -108.63 -5.13 16.57 Favored 'General case' 0 N--CA 1.481 1.094 0 N-CA-C 114.564 1.32 . . . . 0.0 114.564 -174.827 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 30' ' ' THR . . . . . . . . . . . . . 8.4 m . . . . . 0 C--O 1.251 1.175 0 C-N-CA 125.764 1.626 . . . . 0.0 111.501 -174.232 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.625 0 N-CA-C 111.507 -0.637 . . . . 0.0 111.507 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 18.3 tt -75.89 -44.7 38.5 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.806 0 N-CA-C 114.002 1.112 . . . . 0.0 114.002 -166.941 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 7.5 p -58.52 -46.24 89.91 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.135 0 C-N-CA 124.351 1.06 . . . . 0.0 112.278 -179.825 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 24.4 pt-20 -76.03 6.42 5.28 Favored 'General case' 0 N--CA 1.475 0.807 0 C-N-CA 127.052 2.141 . . . . 0.0 114.666 179.257 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 29.0 mm-40 -122.49 -38.85 2.61 Favored 'General case' 0 N--CA 1.468 0.436 0 C-N-CA 124.983 1.313 . . . . 0.0 112.116 172.855 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 82.5 m -99.97 -36.26 9.44 Favored 'General case' 0 CA--C 1.535 0.397 0 C-N-CA 124.439 1.096 . . . . 0.0 113.095 -173.201 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 79.5 m -82.35 -19.05 40.03 Favored 'General case' 0 N--CA 1.476 0.84 0 CA-C-N 119.28 0.945 . . . . 0.0 112.18 177.168 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 39.3 p -93.47 -36.17 12.59 Favored 'General case' 0 N--CA 1.473 0.7 0 C-N-CA 126.452 1.901 . . . . 0.0 113.315 -177.36 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 74.5 m -150.24 -177.25 5.83 Favored 'General case' 0 N--CA 1.472 0.653 0 C-N-CA 127.03 2.132 . . . . 0.0 110.728 -171.21 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 17.7 mt -70.3 132.23 33.42 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.568 0 O-C-N 120.887 -1.133 . . . . 0.0 109.369 162.228 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 31.6 p -113.65 147.69 37.67 Favored 'General case' 0 CA--C 1.537 0.475 0 C-N-CA 124.913 1.285 . . . . 0.0 110.789 168.675 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 23.7 m -88.19 162.29 16.77 Favored 'General case' 0 N--CA 1.47 0.545 0 C-N-CA 123.457 0.703 . . . . 0.0 112.348 -170.943 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 7.6 mp -49.53 -48.21 48.39 Favored 'General case' 0 N--CA 1.47 0.553 0 C-N-CA 125.142 1.377 . . . . 0.0 111.551 175.795 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 33.9 m-85 -61.79 -38.64 88.86 Favored 'General case' 0 CA--C 1.536 0.427 0 C-N-CA 124.997 1.319 . . . . 0.0 112.282 -178.104 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 46.3 mt-30 -69.62 -47.17 64.36 Favored 'General case' 0 N--CA 1.467 0.409 0 O-C-N 121.641 -0.662 . . . . 0.0 110.484 176.706 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 63.5 mt -58.94 -38.52 79.19 Favored 'General case' 0 CA--C 1.544 0.718 0 C-N-CA 123.239 0.615 . . . . 0.0 112.55 176.347 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 37.3 mt-10 -66.06 -33.99 77.06 Favored 'General case' 0 CA--C 1.544 0.715 0 C-N-CA 123.597 0.759 . . . . 0.0 112.899 174.317 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 9.7 m-80 -62.31 -25.52 67.92 Favored 'General case' 0 N--CA 1.474 0.768 0 O-C-N 120.747 -1.22 . . . . 0.0 112.555 173.679 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 44.8 m-85 -84.16 -14.41 50.28 Favored 'General case' 0 CA--C 1.54 0.584 0 N-CA-C 113.808 1.04 . . . . 0.0 113.808 178.219 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 6.2 p -90.7 -36.26 14.44 Favored 'General case' 0 CA--C 1.543 0.687 0 CA-C-N 119.182 0.901 . . . . 0.0 112.431 165.984 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 49.7 t-20 . . . . . 0 CA--C 1.541 0.629 0 C-N-CA 125.413 1.485 . . . . 0.0 111.542 179.711 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' B' B ' 1' ' ' PHE . . . . . . . . . . . . . 53.7 t80 . . . . . 0 CA--C 1.542 0.658 0 N-CA-C 112.137 0.421 . . . . 0.0 112.137 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' B' B ' 2' ' ' VAL . . . . . . . . . . . . . 48.1 t -135.23 126.66 46.09 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.896 0 C-N-CA 125.301 1.441 . . . . 0.0 109.352 174.293 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 3' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -63.98 146.44 54.09 Favored 'General case' 0 N--CA 1.467 0.401 0 N-CA-C 113.898 1.073 . . . . 0.0 113.898 179.64 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 4' ' ' GLN . . . . . . . . . . . . . 6.1 pt20 -165.91 165.22 18.32 Favored 'General case' 0 CA--C 1.539 0.536 0 C-N-CA 128.468 2.707 . . . . 0.0 107.467 -177.254 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 5' ' ' HIS . . . . . . . . . . . . . 3.6 m80 -62.38 131.81 50.51 Favored 'General case' 0 N--CA 1.47 0.569 0 C-N-CA 124.848 1.259 . . . . 0.0 109.403 167.714 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 34.6 mt -144.65 132.26 21.03 Favored 'General case' 0 N--CA 1.469 0.522 0 C-N-CA 125.249 1.42 . . . . 0.0 110.681 -168.114 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 7' ' ' CYS . . . . . . . . . . . . . 1.5 t -148.18 163.67 36.27 Favored 'General case' 0 CA--C 1.539 0.557 0 N-CA-C 113.062 0.764 . . . . 0.0 113.062 177.155 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 8' ' ' GLY . . . . . . . . . . . . . . . 58.19 -138.1 49.21 Favored Glycine 0 CA--C 1.534 1.256 0 C-N-CA 124.184 0.897 . . . . 0.0 113.389 178.491 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 9' ' ' SER . . . . . . . . . . . . . 42.3 p -59.12 -32.27 69.69 Favored 'General case' 0 N--CA 1.472 0.655 0 C-N-CA 124.046 0.938 . . . . 0.0 113.516 177.796 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 10' ' ' HIS . . . . . . . . . . . . . 25.2 m-70 -67.14 -35.86 80.62 Favored 'General case' 0 N--CA 1.469 0.513 0 O-C-N 121.552 -0.718 . . . . 0.0 111.675 177.842 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 2.4 tm? -71.83 -40.76 68.85 Favored 'General case' 0 CA--C 1.539 0.534 0 C-N-CA 124.896 1.278 . . . . 0.0 112.261 175.792 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 84.1 t -62.97 -43.35 98.99 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.943 0 C-N-CA 123.295 0.638 . . . . 0.0 111.354 174.162 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 38.8 mt-10 -68.04 -41.54 81.92 Favored 'General case' 0 CA--C 1.538 0.512 0 O-C-N 121.536 -0.728 . . . . 0.0 112.276 174.108 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -61.96 -41.76 98.35 Favored 'General case' 0 CA--C 1.537 0.449 0 O-C-N 121.149 -0.969 . . . . 0.0 113.162 -179.338 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 15' ' ' LEU . . . . . 0.404 ' HA ' HG12 ' B' ' 18' ' ' VAL . 2.6 pp -71.72 -34.38 69.53 Favored 'General case' 0 N--CA 1.468 0.458 0 CA-C-N 118.79 0.723 . . . . 0.0 111.426 178.974 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 16' ' ' TYR . . . . . . . . . . . . . 1.5 t80 -62.75 -42.5 99.71 Favored 'General case' 0 CA--C 1.541 0.61 0 C-N-CA 123.939 0.895 . . . . 0.0 111.435 171.669 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 43.6 mt -71.51 -44.56 64.43 Favored 'General case' 0 N--CA 1.469 0.479 0 C-N-CA 124.563 1.145 . . . . 0.0 112.703 -177.54 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 18' ' ' VAL . . . . . 0.404 HG12 ' HA ' ' B' ' 15' ' ' LEU . 9.3 p -73.45 -29.32 27.12 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.831 0 C-N-CA 123.038 0.535 . . . . 0.0 112.183 -179.104 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 19' ' ' CYS . . . . . . . . . . . . . 35.8 t -75.86 -34.1 60.04 Favored 'General case' 0 CA--C 1.539 0.535 0 C-N-CA 124.085 0.954 . . . . 0.0 112.544 171.291 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . 65.66 36.5 92.45 Favored Glycine 0 CA--C 1.531 1.084 0 N-CA-C 111.366 -0.694 . . . . 0.0 111.366 -166.275 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 42.5 tt0 -60.48 132.65 54.58 Favored 'General case' 0 CA--C 1.546 0.798 0 C-N-CA 124.496 1.118 . . . . 0.0 112.599 -173.295 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 22' ' ' ARG . . . . . . . . . . . . . 9.3 mpt_? -80.48 35.49 0.35 Allowed 'General case' 0 N--CA 1.479 1.017 0 C-N-CA 126.111 1.765 . . . . 0.0 113.04 -176.712 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . -56.33 125.91 39.27 Favored Glycine 0 CA--C 1.533 1.218 0 C-N-CA 124.929 1.252 . . . . 0.0 113.028 -173.097 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 24' ' ' DHI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' B' B ' 25' ' ' PHE . . . . . . . . . . . . . 31.0 m-85 53.48 117.61 0.0 OUTLIER 'General case' 0 CA--C 1.544 0.717 0 C-N-CA 130.799 3.64 . . . . 0.0 117.448 165.243 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 26' ' ' TYR . . . . . . . . . . . . . 24.2 m-85 -133.33 152.59 51.93 Favored 'General case' 0 N--CA 1.471 0.614 0 C-N-CA 124.84 1.256 . . . . 0.0 112.568 -163.124 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 27' ' ' THR . . . . . . . . . . . . . 12.6 p -77.48 -40.74 2.22 Favored Pre-proline 0 N--CA 1.475 0.797 0 N-CA-C 115.918 1.822 . . . . 0.0 115.918 177.526 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 28' ' ' PRO . . . . . . . . . . . . . 80.7 Cg_endo -74.97 144.86 30.86 Favored 'Trans proline' 0 CA--C 1.541 0.849 0 C-N-CA 122.5 2.133 . . . . 0.0 112.051 174.22 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 64.6 tttm 61.51 147.01 0.02 OUTLIER 'General case' 0 N--CA 1.481 1.099 0 C-N-CA 128.141 2.576 . . . . 0.0 115.417 -176.896 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 30' ' ' THR . . . . . . . . . . . . . 31.8 m . . . . . 0 N--CA 1.479 1.013 0 C-N-CA 125.938 1.695 . . . . 0.0 111.244 168.319 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.621 0 N-CA-C 112.273 -0.331 . . . . 0.0 112.273 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 1.1 tp -93.8 -44.96 13.76 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.095 0 C-N-CA 125.374 1.47 . . . . 0.0 113.402 -168.613 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 18.5 t -62.48 -46.68 95.81 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.295 0 O-C-N 120.701 -1.249 . . . . 0.0 110.687 178.993 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 17.7 pt-20 -69.16 5.77 1.14 Allowed 'General case' 0 CA--C 1.549 0.916 0 C-N-CA 126.201 1.8 . . . . 0.0 115.346 175.714 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 24.5 mm-40 -127.56 -31.05 2.52 Favored 'General case' 0 N--CA 1.473 0.721 0 C-N-CA 124.777 1.231 . . . . 0.0 113.296 174.691 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 67.4 m -110.27 -19.65 12.92 Favored 'General case' 0 CA--C 1.543 0.693 0 N-CA-C 115.698 1.74 . . . . 0.0 115.698 179.31 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 48.2 t -103.96 -37.51 7.36 Favored 'General case' 0 N--CA 1.476 0.845 0 CA-C-N 119.571 1.078 . . . . 0.0 113.165 -179.535 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 4.8 t -74.8 -24.6 58.67 Favored 'General case' 0 N--CA 1.481 1.114 0 O-C-N 121.552 -0.717 . . . . 0.0 112.749 176.099 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 8.7 t -151.22 168.82 23.55 Favored 'General case' 0 CA--C 1.538 0.498 0 C-N-CA 126.463 1.905 . . . . 0.0 110.323 172.753 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 47.5 mt -67.7 142.71 16.15 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.741 0 C-N-CA 124.512 1.125 . . . . 0.0 111.663 -177.867 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 9.4 p -133.1 169.86 16.24 Favored 'General case' 0 CA--C 1.546 0.791 0 C-N-CA 124.925 1.29 . . . . 0.0 111.863 167.311 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 34.3 m -113.58 159.64 19.4 Favored 'General case' 0 N--CA 1.474 0.769 0 C-N-CA 125.46 1.504 . . . . 0.0 111.418 -178.388 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 2.6 pt? -57.68 -30.92 65.86 Favored 'General case' 0 CA--C 1.542 0.657 0 N-CA-C 113.559 0.948 . . . . 0.0 113.559 177.205 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 25.5 m-85 -64.83 -25.3 67.85 Favored 'General case' 0 CA--C 1.539 0.55 0 C-N-CA 124.71 1.204 . . . . 0.0 113.292 175.197 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 19.4 mm100 -80.14 -46.28 16.7 Favored 'General case' 0 N--CA 1.467 0.41 0 C-N-CA 123.982 0.913 . . . . 0.0 110.655 171.11 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 81.4 mt -53.76 -33.45 55.84 Favored 'General case' 0 N--CA 1.474 0.77 0 C-N-CA 124.933 1.293 . . . . 0.0 113.758 179.65 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 39.5 mt-10 -57.73 -22.48 46.8 Favored 'General case' 0 N--CA 1.478 0.973 0 N-CA-C 114.436 1.273 . . . . 0.0 114.436 175.649 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 44.8 m-80 -81.18 -33.56 32.94 Favored 'General case' 0 N--CA 1.47 0.556 0 CA-C-N 119.156 0.889 . . . . 0.0 112.111 177.643 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 94.0 m-85 -75.27 -15.99 60.48 Favored 'General case' 0 N--CA 1.472 0.653 0 C-N-CA 124.332 1.053 . . . . 0.0 113.57 -176.559 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 32.9 t -65.76 -25.34 67.22 Favored 'General case' 0 CA--C 1.548 0.868 0 C-N-CA 124.054 0.942 . . . . 0.0 112.552 166.518 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 15.8 p30 . . . . . 0 CA--C 1.54 0.575 0 C-N-CA 126.189 1.796 . . . . 0.0 111.632 -171.486 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' B' B ' 1' ' ' PHE . . . . . . . . . . . . . 34.0 t80 . . . . . 0 CA--C 1.54 0.562 0 N-CA-C 111.89 0.33 . . . . 0.0 111.89 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' B' B ' 2' ' ' VAL . . . . . . . . . . . . . 17.7 m -135.89 136.0 50.24 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.744 0 C-N-CA 125.082 1.353 . . . . 0.0 110.216 167.475 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 3' ' ' ASN . . . . . . . . . . . . . 10.9 m-20 -63.19 143.02 58.15 Favored 'General case' 0 CA--C 1.535 0.385 0 CA-C-O 121.794 0.806 . . . . 0.0 112.387 -178.85 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 4' ' ' GLN . . . . . . . . . . . . . 6.9 pt20 -167.87 163.53 13.95 Favored 'General case' 0 CA--C 1.537 0.457 0 C-N-CA 126.627 1.971 . . . . 0.0 109.089 -177.827 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 5' ' ' HIS . . . . . . . . . . . . . 30.4 m-70 -72.62 72.53 1.03 Allowed 'General case' 0 CA--C 1.545 0.769 0 C-N-CA 125.206 1.402 . . . . 0.0 111.369 170.66 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 70.9 mt -62.24 135.99 57.73 Favored 'General case' 0 N--CA 1.47 0.56 0 C-N-CA 124.942 1.297 . . . . 0.0 111.447 178.295 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 7' ' ' CYS . . . . . . . . . . . . . 0.9 OUTLIER -148.41 157.69 43.63 Favored 'General case' 0 N--CA 1.47 0.573 0 N-CA-C 113.235 0.828 . . . . 0.0 113.235 -177.599 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 8' ' ' GLY . . . . . . . . . . . . . . . 54.16 -133.95 45.13 Favored Glycine 0 CA--C 1.533 1.213 0 C-N-CA 124.23 0.919 . . . . 0.0 113.584 174.863 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 9' ' ' SER . . . . . . . . . . . . . 25.4 m -57.14 -36.67 70.99 Favored 'General case' 0 N--CA 1.473 0.683 0 C-N-CA 123.891 0.876 . . . . 0.0 112.97 178.152 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 10' ' ' HIS . . . . . . . . . . . . . 31.2 m170 -64.97 -34.52 78.62 Favored 'General case' 0 N--CA 1.472 0.668 0 C-N-CA 123.539 0.736 . . . . 0.0 112.464 178.548 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 31.6 tp -71.03 -40.08 71.95 Favored 'General case' 0 CA--C 1.539 0.522 0 C-N-CA 124.08 0.952 . . . . 0.0 111.945 176.161 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 77.6 t -66.06 -43.29 92.47 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.746 0 C-N-CA 123.711 0.804 . . . . 0.0 111.135 174.176 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 44.7 mt-10 -64.06 -42.45 97.0 Favored 'General case' 0 N--CA 1.47 0.546 0 O-C-N 121.541 -0.725 . . . . 0.0 112.106 175.814 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -63.4 -39.27 94.04 Favored 'General case' 0 CA--C 1.543 0.676 0 O-C-N 121.315 -0.865 . . . . 0.0 113.136 -179.09 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 3.9 pp -77.17 -30.62 55.03 Favored 'General case' 0 N--CA 1.47 0.53 0 O-C-N 121.726 -0.609 . . . . 0.0 112.099 177.138 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 16' ' ' TYR . . . . . . . . . . . . . 1.8 t80 -63.93 -41.86 97.53 Favored 'General case' 0 CA--C 1.539 0.553 0 C-N-CA 123.544 0.738 . . . . 0.0 111.563 170.333 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 36.2 mt -69.02 -44.1 73.44 Favored 'General case' 0 N--CA 1.467 0.375 0 C-N-CA 124.066 0.946 . . . . 0.0 112.308 -177.373 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 18' ' ' VAL . . . . . . . . . . . . . 5.6 p -72.8 -30.48 33.1 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.75 0 N-CA-C 112.307 0.484 . . . . 0.0 112.307 179.61 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 19' ' ' CYS . . . . . . . . . . . . . 9.2 t -81.66 -29.04 33.27 Favored 'General case' 0 CA--C 1.542 0.646 0 N-CA-C 113.312 0.856 . . . . 0.0 113.312 177.405 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . 77.44 9.64 86.72 Favored Glycine 0 CA--C 1.539 1.543 0 C-N-CA 124.996 1.284 . . . . 0.0 114.208 -173.064 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 8.7 tp10 -155.19 154.25 31.97 Favored 'General case' 0 CA--C 1.542 0.654 0 C-N-CA 126.907 2.083 . . . . 0.0 109.521 -177.477 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 22' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -72.19 -3.67 24.77 Favored 'General case' 0 N--CA 1.475 0.815 0 N-CA-C 114.944 1.461 . . . . 0.0 114.944 -176.063 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . 74.59 -160.69 53.16 Favored Glycine 0 CA--C 1.529 0.936 0 C-N-CA 125.411 1.481 . . . . 0.0 115.164 172.299 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 24' ' ' DHI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' B' B ' 25' ' ' PHE . . . . . . . . . . . . . 40.4 m-85 -80.54 173.14 12.89 Favored 'General case' 0 CA--C 1.543 0.687 0 C-N-CA 125.435 1.494 . . . . 0.0 112.665 -177.714 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 26' ' ' TYR . . . . . . . . . . . . . 65.3 m-85 -62.2 152.42 33.32 Favored 'General case' 0 CA--C 1.542 0.665 0 C-N-CA 124.214 1.006 . . . . 0.0 113.161 179.839 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 27' ' ' THR . . . . . . . . . . . . . 3.2 m -65.24 -41.54 53.05 Favored Pre-proline 0 N--CA 1.478 0.944 0 N-CA-C 115.265 1.58 . . . . 0.0 115.265 -175.003 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 28' ' ' PRO . . . . . . . . . . . . . 51.4 Cg_exo -65.99 149.15 86.32 Favored 'Trans proline' 0 C--N 1.354 0.839 0 C-N-CA 122.726 2.284 . . . . 0.0 114.841 -173.992 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 9.6 mtmp? -141.77 152.77 44.07 Favored 'General case' 0 N--CA 1.473 0.721 0 C-N-CA 127.013 2.125 . . . . 0.0 109.632 172.007 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 30' ' ' THR . . . . . . . . . . . . . 23.3 p . . . . . 0 C--O 1.252 1.194 0 C-N-CA 128.673 2.789 . . . . 0.0 113.766 -4.667 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.642 0 N-CA-C 112.039 -0.425 . . . . 0.0 112.039 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 9.8 tt -54.98 -40.07 52.11 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.06 0 C-N-CA 125.501 1.52 . . . . 0.0 114.393 -175.009 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 15.7 t -57.97 -51.37 71.42 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.923 0 C-N-CA 123.915 0.886 . . . . 0.0 111.403 -165.884 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 12.4 pt-20 -92.36 19.63 6.93 Favored 'General case' 0 N--CA 1.477 0.878 0 C-N-CA 125.438 1.495 . . . . 0.0 113.628 178.13 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 20.7 mm-40 -120.13 -18.73 8.0 Favored 'General case' 0 N--CA 1.472 0.634 0 C-N-CA 124.887 1.275 . . . . 0.0 112.745 170.017 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 56.1 m -115.95 -29.36 6.37 Favored 'General case' 0 CA--C 1.54 0.57 0 C-N-CA 126.707 2.003 . . . . 0.0 112.357 175.162 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 2.3 t -100.95 170.82 8.03 Favored 'General case' 0 CA--C 1.542 0.643 0 N-CA-C 107.831 -1.174 . . . . 0.0 107.831 155.144 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER 60.65 -33.08 0.07 Allowed 'General case' 0 N--CA 1.484 1.24 0 C-N-CA 127.812 2.445 . . . . 0.0 115.446 -163.644 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 22.7 m -147.49 160.87 42.12 Favored 'General case' 0 N--CA 1.469 0.521 0 C-N-CA 127.396 2.278 . . . . 0.0 111.057 171.807 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 68.4 mt -70.59 145.22 12.94 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.796 0 C-N-CA 125.276 1.43 . . . . 0.0 111.887 -178.337 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 15.3 p -127.67 174.56 8.99 Favored 'General case' 0 CA--C 1.544 0.724 0 C-N-CA 124.959 1.303 . . . . 0.0 112.442 166.896 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 66.9 m -123.34 166.37 15.43 Favored 'General case' 0 N--CA 1.472 0.665 0 C-N-CA 125.913 1.685 . . . . 0.0 112.022 -176.987 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 2.4 pt? -52.87 -33.71 51.19 Favored 'General case' 0 N--CA 1.471 0.619 0 C-N-CA 123.916 0.887 . . . . 0.0 113.331 174.116 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 28.6 m-85 -60.02 -26.91 66.46 Favored 'General case' 0 CA--C 1.542 0.644 0 C-N-CA 124.992 1.317 . . . . 0.0 113.561 177.266 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 29.6 mm100 -88.98 -46.75 8.64 Favored 'General case' 0 N--CA 1.468 0.46 0 C-N-CA 124.489 1.116 . . . . 0.0 111.41 171.703 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 52.4 mt -61.53 -34.93 76.36 Favored 'General case' 0 CA--C 1.544 0.736 0 C-N-CA 123.698 0.799 . . . . 0.0 113.061 -176.857 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 36.4 mt-10 -69.82 -10.75 59.61 Favored 'General case' 0 CA--C 1.547 0.828 0 C-N-CA 125.166 1.386 . . . . 0.0 114.312 174.112 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 80.3 m-20 -92.83 -34.65 13.76 Favored 'General case' 0 CA--C 1.543 0.682 0 C-N-CA 124.139 0.976 . . . . 0.0 112.397 170.711 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 33.0 m-85 -74.21 -24.99 59.41 Favored 'General case' 0 N--CA 1.474 0.735 0 N-CA-C 113.602 0.964 . . . . 0.0 113.602 -174.555 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 24.9 p -68.73 -26.43 65.25 Favored 'General case' 0 CA--C 1.544 0.719 0 C-N-CA 124.619 1.168 . . . . 0.0 114.09 173.996 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 CA--C 1.545 0.779 0 C-N-CA 127.715 2.406 . . . . 0.0 113.723 -178.562 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 1' ' ' PHE . . . . . . . . . . . . . 70.0 t80 . . . . . 0 CA--C 1.543 0.689 0 N-CA-C 112.352 0.501 . . . . 0.0 112.352 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' B' B ' 2' ' ' VAL . . . . . . . . . . . . . 50.8 t -135.52 128.35 47.6 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.84 0 C-N-CA 125.564 1.546 . . . . 0.0 108.924 172.591 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 3' ' ' ASN . . . . . . . . . . . . . 26.0 m120 -60.05 139.55 57.39 Favored 'General case' 0 CA--C 1.535 0.39 0 CA-C-O 121.71 0.767 . . . . 0.0 112.878 -178.801 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 4' ' ' GLN . . . . . . . . . . . . . 6.5 pt20 -167.34 157.99 11.37 Favored 'General case' 0 CA--C 1.536 0.408 0 C-N-CA 126.668 1.987 . . . . 0.0 109.042 179.428 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 5' ' ' HIS . . . . . . . . . . . . . 39.4 m-70 -67.5 137.48 55.84 Favored 'General case' 0 N--CA 1.468 0.453 0 C-N-CA 123.061 0.545 . . . . 0.0 110.011 163.859 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 71.9 mt -133.86 124.61 26.77 Favored 'General case' 0 N--CA 1.465 0.324 0 C-N-CA 125.697 1.599 . . . . 0.0 109.823 -176.16 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 7' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -140.8 153.47 45.84 Favored 'General case' 0 CA--C 1.54 0.592 0 C-N-CA 124.015 0.926 . . . . 0.0 111.924 -169.972 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 8' ' ' GLY . . . . . . . . . . . . . . . 52.63 -132.16 39.7 Favored Glycine 0 CA--C 1.536 1.377 0 C-N-CA 124.039 0.828 . . . . 0.0 113.907 174.65 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 9' ' ' SER . . . . . . . . . . . . . 25.4 m -61.12 -33.06 72.79 Favored 'General case' 0 N--CA 1.474 0.744 0 O-C-N 121.74 -0.859 . . . . 0.0 113.224 177.896 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 10' ' ' HIS . . . . . . . . . . . . . 30.5 m170 -65.94 -32.99 74.8 Favored 'General case' 0 N--CA 1.473 0.706 0 C-N-CA 123.661 0.785 . . . . 0.0 112.334 178.168 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 54.2 tp -67.5 -44.44 78.47 Favored 'General case' 0 CA--C 1.537 0.466 0 C-N-CA 124.157 0.983 . . . . 0.0 111.917 174.452 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 63.2 t -65.19 -41.79 92.55 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.724 0 C-N-CA 124.028 0.931 . . . . 0.0 110.929 177.511 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 21.9 mm-40 -65.75 -45.61 81.94 Favored 'General case' 0 N--CA 1.468 0.435 0 O-C-N 121.64 -0.663 . . . . 0.0 111.991 174.834 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -63.14 -40.05 96.46 Favored 'General case' 0 CA--C 1.538 0.512 0 O-C-N 121.359 -0.838 . . . . 0.0 113.095 -176.794 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 3.8 pp -73.18 -34.66 66.12 Favored 'General case' 0 N--CA 1.469 0.509 0 CA-C-N 118.768 0.713 . . . . 0.0 111.791 177.758 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 16' ' ' TYR . . . . . . . . . . . . . 0.6 OUTLIER -61.75 -46.61 88.85 Favored 'General case' 0 CA--C 1.536 0.411 0 C-N-CA 123.194 0.598 . . . . 0.0 110.839 171.867 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 43.9 mt -68.05 -41.35 82.16 Favored 'General case' 0 CA--C 1.536 0.407 0 C-N-CA 124.125 0.97 . . . . 0.0 112.738 -175.74 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 18' ' ' VAL . . . . . . . . . . . . . 4.3 p -77.96 -28.12 15.23 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.744 0 N-CA-C 112.842 0.682 . . . . 0.0 112.842 -177.362 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 19' ' ' CYS . . . . . . . . . . . . . 47.2 t -99.11 -33.81 10.64 Favored 'General case' 0 CA--C 1.541 0.606 0 N-CA-C 114.52 1.304 . . . . 0.0 114.52 -176.198 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . 78.95 19.57 72.45 Favored Glycine 0 CA--C 1.539 1.555 0 C-N-CA 124.655 1.121 . . . . 0.0 114.19 -170.785 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 4.0 tp10 -145.0 135.4 24.2 Favored 'General case' 0 N--CA 1.472 0.639 0 C-N-CA 126.208 1.803 . . . . 0.0 109.887 -173.472 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 22' ' ' ARG . . . . . . . . . . . . . 6.4 ptm180 -76.27 -27.41 56.67 Favored 'General case' 0 N--CA 1.481 1.111 0 C-N-CA 130.188 3.395 . . . . 0.0 115.349 -0.494 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . 61.3 -154.69 37.2 Favored Glycine 0 CA--C 1.535 1.302 0 C-N-CA 123.745 0.688 . . . . 0.0 114.143 -176.26 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 24' ' ' DHI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' B' B ' 25' ' ' PHE . . . . . . . . . . . . . 17.8 m-85 -107.96 146.29 32.65 Favored 'General case' 0 CA--C 1.539 0.546 0 C-N-CA 125.544 1.537 . . . . 0.0 112.532 -173.806 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 26' ' ' TYR . . . . . . . . . . . . . 27.7 m-85 -130.2 158.22 40.31 Favored 'General case' 0 N--CA 1.473 0.703 0 C-N-CA 125.13 1.372 . . . . 0.0 112.406 -176.04 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 27' ' ' THR . . . . . . . . . . . . . 21.7 p -109.5 114.92 56.73 Favored Pre-proline 0 N--CA 1.475 0.797 0 C-N-CA 124.964 1.305 . . . . 0.0 110.933 173.024 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 28' ' ' PRO . . . . . . . . . . . . . 76.0 Cg_exo -57.57 132.63 51.56 Favored 'Trans proline' 0 CA--C 1.539 0.728 0 C-N-CA 123.07 2.514 . . . . 0.0 112.676 174.423 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 9.4 ptpp? -153.83 160.82 42.35 Favored 'General case' 0 N--CA 1.475 0.788 0 C-N-CA 125.729 1.612 . . . . 0.0 111.996 -176.545 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 30' ' ' THR . . . . . . . . . . . . . 20.1 p . . . . . 0 C--O 1.253 1.269 0 C-N-CA 125.943 1.697 . . . . 0.0 113.231 177.857 . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.484 1.839 0 N-CA-C 112.326 -0.31 . . . . 0.0 112.326 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 15.0 tt -57.16 -36.21 50.86 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.172 0 C-N-CA 124.844 1.258 . . . . 0.0 114.078 -174.667 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 3.9 p -56.17 -38.0 52.16 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.932 0 C-N-CA 124.302 1.041 . . . . 0.0 112.35 175.365 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 34.0 mt-10 -78.32 -2.94 40.54 Favored 'General case' 0 N--CA 1.476 0.849 0 C-N-CA 125.473 1.509 . . . . 0.0 114.182 177.051 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 16.8 tp60 -105.69 -30.11 9.66 Favored 'General case' 0 CA--C 1.54 0.594 0 C-N-CA 125.171 1.388 . . . . 0.0 112.492 170.351 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -126.51 -12.16 6.16 Favored 'General case' 0 CA--C 1.547 0.846 0 N-CA-C 116.538 2.051 . . . . 0.0 116.538 -167.465 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 48.5 t -102.04 -30.28 11.28 Favored 'General case' 0 N--CA 1.476 0.863 0 CA-C-N 119.766 1.166 . . . . 0.0 112.13 172.575 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 30.8 p -70.81 -38.6 73.31 Favored 'General case' 0 N--CA 1.474 0.765 0 C-N-CA 125.932 1.693 . . . . 0.0 112.386 175.124 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 75.6 m -146.46 168.24 21.66 Favored 'General case' 0 N--CA 1.468 0.425 0 C-N-CA 128.335 2.654 . . . . 0.0 109.746 177.384 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 71.6 mt -61.21 140.75 18.4 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.774 0 C-N-CA 123.529 0.732 . . . . 0.0 110.396 172.149 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 4.9 p -121.89 153.65 38.15 Favored 'General case' 0 CA--C 1.54 0.565 0 C-N-CA 123.627 0.771 . . . . 0.0 112.059 164.37 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 50.4 m -92.59 156.62 16.99 Favored 'General case' 0 N--CA 1.47 0.566 0 C-N-CA 124.44 1.096 . . . . 0.0 110.581 172.264 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 1.8 pp -58.52 -31.85 68.29 Favored 'General case' 0 N--CA 1.471 0.587 0 O-C-N 121.526 -0.734 . . . . 0.0 112.627 -178.3 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 41.4 m-85 -65.57 -24.39 67.08 Favored 'General case' 0 CA--C 1.542 0.668 0 C-N-CA 124.848 1.259 . . . . 0.0 113.729 178.094 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 39.2 mt-30 -85.49 -41.63 15.17 Favored 'General case' 0 N--CA 1.47 0.565 0 C-N-CA 125.111 1.365 . . . . 0.0 111.022 171.398 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . 0.258 0.1 OUTLIER -67.67 -26.17 66.07 Favored 'General case' 0 CA--C 1.557 1.22 0 C-N-CA 124.088 0.955 . . . . 0.0 111.501 178.697 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 31.8 mt-10 -64.83 -20.85 66.62 Favored 'General case' 0 N--CA 1.474 0.731 0 O-C-N 120.125 -1.609 . . . . 0.0 114.329 167.84 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 89.7 m-20 -63.24 -27.99 69.73 Favored 'General case' 0 N--CA 1.473 0.719 0 CA-C-N 120.68 1.582 . . . . 0.0 111.514 175.32 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 40.7 m-85 -80.78 -18.05 48.9 Favored 'General case' 0 CA--C 1.543 0.685 0 C-N-CA 124.258 1.023 . . . . 0.0 113.694 174.425 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 45.9 t -77.63 -44.68 27.44 Favored 'General case' 0 CA--C 1.544 0.741 0 C-N-CA 124.354 1.061 . . . . 0.0 111.411 166.366 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 51.6 t-20 . . . . . 0 CA--C 1.542 0.639 0 C-N-CA 125.218 1.407 . . . . 0.0 111.352 178.923 . . . . . . . . 0 0 . 1 . 005 nuclear build full ' B' B ' 1' ' ' PHE . . . . . . . . . . . . . 24.2 t80 . . . . . 0 CA--C 1.541 0.609 0 CA-C-O 120.883 0.373 . . . . 0.0 111.997 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' B' B ' 2' ' ' VAL . . . . . . . . . . . . . 7.3 p -148.12 140.63 18.56 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.784 0 C-N-CA 124.686 1.194 . . . . 0.0 110.538 166.7 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 3' ' ' ASN . . . . . . . . . . . . . 25.2 m-20 -68.66 142.56 55.04 Favored 'General case' 0 N--CA 1.449 -0.486 0 CA-C-O 122.186 0.994 . . . . 0.0 113.344 -172.108 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 4' ' ' GLN . . . . . . . . . . . . . 5.9 pt20 -167.88 170.25 10.82 Favored 'General case' 0 CA--C 1.539 0.52 0 C-N-CA 127.653 2.381 . . . . 0.0 107.956 179.812 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 5' ' ' HIS . . . . . . . . . . . . . 15.9 m-70 -76.35 129.7 36.99 Favored 'General case' 0 CA--C 1.541 0.624 0 C-N-CA 124.052 0.941 . . . . 0.0 109.862 164.224 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 3.2 mm? -116.63 141.78 47.75 Favored 'General case' 0 N--CA 1.468 0.433 0 C-N-CA 125.392 1.477 . . . . 0.0 110.523 173.081 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 7' ' ' CYS . . . . . . . . . . . . . 0.9 OUTLIER -150.12 155.79 40.47 Favored 'General case' 0 CA--C 1.54 0.578 0 N-CA-C 112.952 0.723 . . . . 0.0 112.952 -177.234 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 8' ' ' GLY . . . . . . . . . . . . . . . 54.22 -133.59 45.59 Favored Glycine 0 CA--C 1.534 1.243 0 C-N-CA 124.254 0.931 . . . . 0.0 113.636 174.781 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 9' ' ' SER . . . . . . . . . . . . . 19.4 m -56.87 -35.9 69.45 Favored 'General case' 0 N--CA 1.473 0.681 0 C-N-CA 123.977 0.911 . . . . 0.0 112.929 177.595 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 10' ' ' HIS . . . . . . . . . . . . . 28.9 m170 -67.01 -28.8 68.54 Favored 'General case' 0 N--CA 1.472 0.662 0 C-N-CA 123.467 0.707 . . . . 0.0 112.627 177.757 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 34.3 tp -77.0 -36.8 56.14 Favored 'General case' 0 CA--C 1.538 0.503 0 C-N-CA 124.073 0.949 . . . . 0.0 112.163 175.066 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 79.6 t -64.46 -41.89 93.63 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.795 0 C-N-CA 123.559 0.744 . . . . 0.0 110.506 171.281 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 45.2 mt-10 -64.37 -42.33 96.24 Favored 'General case' 0 N--CA 1.469 0.496 0 O-C-N 121.582 -0.699 . . . . 0.0 112.015 173.132 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -61.18 -38.82 87.86 Favored 'General case' 0 CA--C 1.541 0.617 0 CA-C-N 119.262 0.937 . . . . 0.0 112.939 178.385 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 15' ' ' LEU . . . . . . . . . . . . 0.252 2.8 pp -78.9 -30.0 44.64 Favored 'General case' 0 N--CA 1.467 0.418 0 N-CA-C 112.704 0.631 . . . . 0.0 112.704 178.409 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 16' ' ' TYR . . . . . . . . . . . . . 1.2 t80 -61.15 -46.44 90.52 Favored 'General case' 0 CA--C 1.539 0.538 0 C-N-CA 123.143 0.577 . . . . 0.0 111.059 166.484 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 42.3 mt -68.39 -42.55 78.92 Favored 'General case' 0 CA--C 1.536 0.415 0 C-N-CA 124.029 0.932 . . . . 0.0 112.67 -175.379 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 18' ' ' VAL . . . . . . . . . . . . . 1.9 p -73.73 -30.43 28.9 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.842 0 N-CA-C 112.552 0.575 . . . . 0.0 112.552 -179.622 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 19' ' ' CYS . . . . . . . . . . . . . 7.8 t -93.04 -30.76 15.14 Favored 'General case' 0 CA--C 1.542 0.64 0 C-N-CA 124.562 1.145 . . . . 0.0 113.883 -175.209 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . 77.45 9.52 86.79 Favored Glycine 0 CA--C 1.537 1.466 0 C-N-CA 125.151 1.358 . . . . 0.0 115.065 -175.927 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 38.9 tt0 -98.41 125.29 43.52 Favored 'General case' 0 N--CA 1.473 0.679 0 CA-C-N 118.971 1.386 . . . . 0.0 112.016 -175.742 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 22' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -86.26 14.6 6.25 Favored 'General case' 0 N--CA 1.479 0.991 0 C-N-CA 125.365 1.466 . . . . 0.0 114.262 -170.594 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . -64.64 -32.51 84.44 Favored Glycine 0 CA--C 1.536 1.36 0 C-N-CA 124.546 1.069 . . . . 0.0 114.877 -174.333 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 24' ' ' DHI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' B' B ' 25' ' ' PHE . . . . . . . . . . . . . 37.9 m-85 -72.11 147.82 46.33 Favored 'General case' 0 CA--C 1.541 0.63 0 N-CA-C 113.868 1.062 . . . . 0.0 113.868 -169.631 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 26' ' ' TYR . . . . . . . . . . . . . 60.7 m-85 -110.96 166.54 10.96 Favored 'General case' 0 N--CA 1.472 0.666 0 C-N-CA 126.011 1.724 . . . . 0.0 111.816 174.289 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 27' ' ' THR . . . . . . . . . . . . . 28.4 p -73.79 -33.54 1.84 Allowed Pre-proline 0 N--CA 1.478 0.928 0 N-CA-C 117.524 2.416 . . . . 0.0 117.524 -177.398 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 28' ' ' PRO . . . . . . . . . . . . . 96.6 Cg_endo -79.38 160.85 25.8 Favored 'Trans proline' 0 C--N 1.354 0.846 0 C-N-CA 122.574 2.183 . . . . 0.0 112.84 -179.731 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -143.09 168.08 20.56 Favored 'General case' 0 N--CA 1.476 0.828 0 C-N-CA 125.998 1.719 . . . . 0.0 112.122 177.331 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 30' ' ' THR . . . . . . . . . . . . . 11.5 m . . . . . 0 N--CA 1.486 1.333 0 C-N-CA 127.266 2.227 . . . . 0.0 112.703 -175.084 . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.669 0 N-CA-C 112.411 -0.276 . . . . 0.0 112.411 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 11.7 tt -56.19 -39.13 57.5 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.162 0 C-N-CA 125.19 1.396 . . . . 0.0 114.076 -174.233 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 7.3 p -57.44 -36.52 53.51 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.932 0 C-N-CA 124.206 1.002 . . . . 0.0 112.258 178.62 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 34.5 mt-10 -75.83 0.1 19.27 Favored 'General case' 0 N--CA 1.475 0.776 0 C-N-CA 126.625 1.97 . . . . 0.0 114.363 177.798 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 18.9 tp60 -114.73 -36.19 4.6 Favored 'General case' 0 CA--C 1.54 0.575 0 C-N-CA 124.981 1.312 . . . . 0.0 112.189 166.289 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 73.4 m -108.01 -16.3 14.32 Favored 'General case' 0 CA--C 1.538 0.493 0 N-CA-C 115.726 1.75 . . . . 0.0 115.726 -167.429 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 37.3 t -100.13 -24.74 14.5 Favored 'General case' 0 N--CA 1.475 0.796 0 CA-C-N 119.8 1.182 . . . . 0.0 111.682 169.112 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 46.0 p -78.67 -28.23 45.28 Favored 'General case' 0 N--CA 1.474 0.774 0 C-N-CA 126.322 1.849 . . . . 0.0 113.01 174.684 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 8.2 t -150.83 173.89 13.72 Favored 'General case' 0 CA--C 1.538 0.491 0 C-N-CA 126.792 2.037 . . . . 0.0 110.74 178.156 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 45.6 mt -67.35 141.96 17.18 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.594 0 C-N-CA 124.345 1.058 . . . . 0.0 111.297 179.059 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 21.8 m -123.12 138.16 54.73 Favored 'General case' 0 CA--C 1.538 0.483 0 C-N-CA 124.274 1.03 . . . . 0.0 111.776 166.922 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 69.3 m -94.06 161.98 14.06 Favored 'General case' 0 N--CA 1.469 0.488 0 C-N-CA 125.098 1.359 . . . . 0.0 111.147 172.316 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 1.9 pp -57.2 -36.0 70.31 Favored 'General case' 0 CA--C 1.543 0.703 0 C-N-CA 123.604 0.762 . . . . 0.0 112.336 -176.59 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 43.6 m-85 -66.34 -26.82 67.47 Favored 'General case' 0 CA--C 1.539 0.55 0 C-N-CA 125.336 1.454 . . . . 0.0 113.376 178.345 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 44.0 mt-30 -80.05 -45.36 18.45 Favored 'General case' 0 N--CA 1.467 0.415 0 C-N-CA 124.169 0.988 . . . . 0.0 110.288 173.825 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 96.8 mt -60.6 -33.26 72.48 Favored 'General case' 0 CA--C 1.543 0.698 0 C-N-CA 124.141 0.976 . . . . 0.0 113.091 179.455 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 38.0 mt-10 -56.98 -36.87 70.84 Favored 'General case' 0 N--CA 1.477 0.918 0 N-CA-C 113.352 0.871 . . . . 0.0 113.352 172.88 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 86.2 m-20 -66.77 -25.74 66.63 Favored 'General case' 0 CA--C 1.541 0.608 0 O-C-N 121.566 -0.709 . . . . 0.0 112.412 -176.224 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 96.9 m-85 -79.95 -10.27 59.76 Favored 'General case' 0 CA--C 1.541 0.613 0 C-N-CA 124.706 1.202 . . . . 0.0 113.828 178.056 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 13.0 t -74.83 -25.45 59.01 Favored 'General case' 0 CA--C 1.545 0.767 0 O-C-N 121.463 -0.773 . . . . 0.0 112.705 173.194 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 25.4 t-20 . . . . . 0 CA--C 1.544 0.722 0 C-N-CA 124.732 1.213 . . . . 0.0 112.352 179.681 . . . . . . . . 0 0 . 1 . 006 nuclear build full ' B' B ' 1' ' ' PHE . . . . . . . . . . . . . 49.5 t80 . . . . . 0 CA--C 1.54 0.589 0 N-CA-C 112.272 0.471 . . . . 0.0 112.272 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' B' B ' 2' ' ' VAL . . . . . . . . . . . . . 47.9 t -136.24 131.95 49.19 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.777 0 C-N-CA 125.692 1.597 . . . . 0.0 108.24 168.035 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 3' ' ' ASN . . . . . . . . . . . . . 3.4 p-10 -61.78 146.86 48.18 Favored 'General case' 0 N--CA 1.467 0.398 0 CA-C-O 122.308 1.052 . . . . 0.0 113.702 179.998 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 4' ' ' GLN . . . . . . . . . . . . . 22.5 pt20 -168.24 173.48 7.78 Favored 'General case' 0 CA--C 1.538 0.508 0 C-N-CA 127.226 2.211 . . . . 0.0 108.574 178.428 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 5' ' ' HIS . . . . . . . . . . . . . 15.7 m80 -73.99 134.29 43.06 Favored 'General case' 0 C--N 1.32 -0.696 0 C-N-CA 125.162 1.385 . . . . 0.0 109.627 160.097 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 3.2 mm? -119.14 142.39 47.98 Favored 'General case' 0 CA--C 1.538 0.49 0 C-N-CA 125.927 1.691 . . . . 0.0 110.615 174.915 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 7' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -146.7 158.16 43.85 Favored 'General case' 0 CA--C 1.541 0.617 0 N-CA-C 112.86 0.689 . . . . 0.0 112.86 -177.147 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 8' ' ' GLY . . . . . . . . . . . . . . . 54.37 -136.54 43.21 Favored Glycine 0 CA--C 1.534 1.22 0 C-N-CA 124.38 0.99 . . . . 0.0 113.746 175.412 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 9' ' ' SER . . . . . . . . . . . . . 22.7 m -59.96 -31.92 70.33 Favored 'General case' 0 N--CA 1.473 0.678 0 C-N-CA 123.822 0.849 . . . . 0.0 113.088 177.771 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 10' ' ' HIS . . . . . . . . . . . . . 29.5 m-70 -68.42 -30.94 69.95 Favored 'General case' 0 N--CA 1.473 0.679 0 O-C-N 121.497 -0.752 . . . . 0.0 112.233 178.829 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 57.9 tp -69.18 -41.57 77.0 Favored 'General case' 0 CA--C 1.538 0.481 0 C-N-CA 123.971 0.908 . . . . 0.0 111.912 173.56 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 59.8 t -66.52 -40.8 87.3 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.767 0 C-N-CA 123.88 0.872 . . . . 0.0 111.009 175.607 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 38.9 mt-10 -67.75 -42.48 81.74 Favored 'General case' 0 CA--C 1.536 0.424 0 O-C-N 121.366 -0.834 . . . . 0.0 112.242 175.477 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -63.02 -38.13 89.95 Favored 'General case' 0 CA--C 1.541 0.632 0 CA-C-N 119.389 0.995 . . . . 0.0 113.148 -177.739 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 15' ' ' LEU . . . . . 0.402 ' HA ' HG12 ' B' ' 18' ' ' VAL . 3.1 pp -76.81 -33.14 58.0 Favored 'General case' 0 N--CA 1.471 0.589 0 O-C-N 121.686 -0.634 . . . . 0.0 111.88 177.728 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 16' ' ' TYR . . . . . . . . . . . . . 2.4 t80 -64.55 -41.26 96.45 Favored 'General case' 0 CA--C 1.54 0.594 0 C-N-CA 123.706 0.802 . . . . 0.0 111.293 172.059 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 37.8 mt -69.55 -44.09 71.62 Favored 'General case' 0 N--CA 1.467 0.422 0 C-N-CA 124.31 1.044 . . . . 0.0 112.169 -178.132 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 18' ' ' VAL . . . . . 0.402 HG12 ' HA ' ' B' ' 15' ' ' LEU . 6.0 p -71.86 -32.15 43.56 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.721 0 N-CA-C 111.94 0.348 . . . . 0.0 111.94 179.176 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 19' ' ' CYS . . . . . . . . . . . . . 15.4 t -76.47 -31.27 57.69 Favored 'General case' 0 CA--C 1.537 0.452 0 C-N-CA 123.247 0.619 . . . . 0.0 112.231 175.917 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . 73.09 3.85 61.72 Favored Glycine 0 CA--C 1.536 1.37 0 C-N-CA 125.756 1.646 . . . . 0.0 115.078 176.969 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 2.3 tp10 51.26 42.15 28.65 Favored 'General case' 0 CA--C 1.552 1.035 0 C-N-CA 126.095 1.758 . . . . 0.0 114.304 178.414 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 22' ' ' ARG . . . . . . . . . . . . . 7.1 mpt_? -67.37 -18.66 65.22 Favored 'General case' 0 N--CA 1.479 1.008 0 N-CA-C 114.682 1.364 . . . . 0.0 114.682 -179.067 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . -174.51 -169.36 36.45 Favored Glycine 0 CA--C 1.534 1.25 0 C-N-CA 124.55 1.071 . . . . 0.0 113.655 -177.77 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 24' ' ' DHI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' B' B ' 25' ' ' PHE . . . . . . . . . . . . . 67.2 m-85 -70.03 153.53 43.08 Favored 'General case' 0 CA--C 1.541 0.601 0 C-N-CA 124.821 1.248 . . . . 0.0 112.994 -179.763 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 26' ' ' TYR . . . . . . . . . . . . . 68.1 m-85 -75.56 157.66 33.57 Favored 'General case' 0 CA--C 1.543 0.673 0 C-N-CA 124.262 1.025 . . . . 0.0 112.592 176.949 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 27' ' ' THR . . . . . . . . . . . . . 4.9 m -65.32 -40.04 40.06 Favored Pre-proline 0 N--CA 1.479 1.023 0 N-CA-C 115.077 1.51 . . . . 0.0 115.077 -176.866 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 28' ' ' PRO . . . . . . . . . . . . . 52.1 Cg_exo -64.56 151.68 84.65 Favored 'Trans proline' 0 C--N 1.354 0.834 0 C-N-CA 123.066 2.511 . . . . 0.0 114.239 -178.536 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 62.9 tttp -143.39 144.7 32.16 Favored 'General case' 0 N--CA 1.474 0.761 0 C-N-CA 125.854 1.662 . . . . 0.0 111.119 178.585 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 30' ' ' THR . . . . . . . . . . . . . 35.6 m . . . . . 0 C--O 1.253 1.273 0 C-N-CA 126.136 1.774 . . . . 0.0 110.975 -177.76 . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.479 1.537 0 N-CA-C 111.271 -0.732 . . . . 0.0 111.271 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 4.6 tp -46.01 -53.16 2.54 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.062 0 C-N-CA 126.797 2.039 . . . . 0.0 114.6 -171.429 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 7.3 p -66.72 -43.61 89.97 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.922 0 O-C-N 121.03 -1.044 . . . . 0.0 112.488 -178.156 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 47.4 mt-10 -78.01 8.54 4.6 Favored 'General case' 0 N--CA 1.475 0.82 0 N-CA-C 114.4 1.259 . . . . 0.0 114.4 176.955 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 54.8 mt-30 -117.22 -32.98 4.81 Favored 'General case' 0 CA--C 1.541 0.62 0 C-N-CA 125.287 1.435 . . . . 0.0 112.717 168.913 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 21.5 m -123.96 -4.32 8.05 Favored 'General case' 0 CA--C 1.543 0.687 0 N-CA-C 117.157 2.28 . . . . 0.0 117.157 -170.71 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 52.9 t -95.78 -26.68 15.57 Favored 'General case' 0 N--CA 1.475 0.806 0 CA-C-N 119.661 1.118 . . . . 0.0 111.141 159.254 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 41.6 p -80.29 -22.52 41.49 Favored 'General case' 0 N--CA 1.475 0.819 0 C-N-CA 126.698 1.999 . . . . 0.0 113.435 175.779 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 8.1 t -147.61 -175.93 5.05 Favored 'General case' 0 CA--C 1.54 0.584 0 C-N-CA 127.042 2.137 . . . . 0.0 110.154 175.776 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 35.7 mt -66.56 144.11 14.98 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.752 0 O-C-N 120.958 -1.089 . . . . 0.0 111.825 178.486 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -112.11 146.72 37.5 Favored 'General case' 0 CA--C 1.538 0.501 0 C-N-CA 123.947 0.899 . . . . 0.0 111.588 157.336 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 5.9 m -130.86 164.84 24.34 Favored 'General case' 0 N--CA 1.468 0.464 0 C-N-CA 127.457 2.303 . . . . 0.0 108.81 177.306 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 3.7 pp -58.27 -34.28 70.33 Favored 'General case' 0 N--CA 1.475 0.799 0 O-C-N 121.02 -1.05 . . . . 0.0 112.522 -179.754 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 54.4 m-85 -66.8 -24.54 66.19 Favored 'General case' 0 CA--C 1.542 0.66 0 C-N-CA 124.835 1.254 . . . . 0.0 113.589 175.786 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 38.0 mt-30 -85.84 -47.74 9.41 Favored 'General case' 0 N--CA 1.468 0.46 0 C-N-CA 125.106 1.362 . . . . 0.0 110.502 174.853 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 36.8 mt -61.7 -33.64 74.37 Favored 'General case' 0 CA--C 1.543 0.709 0 C-N-CA 124.932 1.293 . . . . 0.0 112.393 -178.853 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 76.7 mt-10 -60.43 -27.69 67.69 Favored 'General case' 0 N--CA 1.472 0.662 0 N-CA-C 113.634 0.975 . . . . 0.0 113.634 173.13 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 79.4 m-20 -67.95 -25.27 65.36 Favored 'General case' 0 CA--C 1.544 0.722 0 CA-C-N 119.695 1.134 . . . . 0.0 112.11 175.895 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 69.6 m-85 -88.65 -21.21 24.07 Favored 'General case' 0 CA--C 1.542 0.658 0 C-N-CA 124.95 1.3 . . . . 0.0 112.574 176.021 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 51.3 t -72.66 -43.51 63.05 Favored 'General case' 0 CA--C 1.544 0.712 0 C-N-CA 124.388 1.075 . . . . 0.0 111.763 165.475 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 49.1 t-20 . . . . . 0 CA--C 1.543 0.682 0 C-N-CA 125.786 1.634 . . . . 0.0 111.344 -177.949 . . . . . . . . 0 0 . 1 . 007 nuclear build full ' B' B ' 1' ' ' PHE . . . . . . . . . . . . . 6.6 t80 . . . . . 0 CA--C 1.539 0.541 0 CA-C-O 120.952 0.406 . . . . 0.0 111.682 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' B' B ' 2' ' ' VAL . . . . . . . . . . . . . 60.5 t -117.57 128.13 74.86 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.666 0 C-N-CA 125.411 1.484 . . . . 0.0 108.036 165.768 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 3' ' ' ASN . . . . . . . . . . . . . 40.2 p-10 -56.26 148.57 18.19 Favored 'General case' 0 CA--C 1.535 0.391 0 N-CA-C 114.824 1.416 . . . . 0.0 114.824 -176.537 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 4' ' ' GLN . . . . . . . . . . . . . 6.8 pt20 -169.3 161.45 10.05 Favored 'General case' 0 CA--C 1.536 0.439 0 C-N-CA 126.764 2.026 . . . . 0.0 109.346 -172.614 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 5' ' ' HIS . . . . . . . . . . . . . 18.9 m80 -61.28 132.51 53.84 Favored 'General case' 0 C--N 1.322 -0.627 0 C-N-CA 125.336 1.454 . . . . 0.0 109.557 164.483 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 39.6 mt -136.35 133.55 36.94 Favored 'General case' 0 N--CA 1.472 0.661 0 C-N-CA 124.947 1.299 . . . . 0.0 110.394 -171.831 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 7' ' ' CYS . . . . . . . . . . . . . 94.2 m -135.29 148.05 49.4 Favored 'General case' 0 CA--C 1.537 0.452 0 O-C-N 121.622 -0.674 . . . . 0.0 112.761 -168.616 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 8' ' ' GLY . . . . . . . . . . . . . . . 54.44 -131.76 46.26 Favored Glycine 0 CA--C 1.534 1.221 0 C-N-CA 123.969 0.795 . . . . 0.0 112.966 177.355 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 9' ' ' SER . . . . . . . . . . . . . 24.3 m -56.15 -34.67 66.36 Favored 'General case' 0 N--CA 1.472 0.632 0 C-N-CA 124.164 0.986 . . . . 0.0 113.253 178.696 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 10' ' ' HIS . . . . . . . . . . . . . 28.4 m170 -64.78 -34.54 78.59 Favored 'General case' 0 N--CA 1.472 0.654 0 CA-C-N 119.188 0.904 . . . . 0.0 112.564 179.692 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 36.1 tp -71.96 -39.42 69.37 Favored 'General case' 0 CA--C 1.537 0.479 0 C-N-CA 123.63 0.772 . . . . 0.0 111.78 176.316 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 60.2 t -67.06 -42.78 88.88 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.712 0 C-N-CA 123.896 0.878 . . . . 0.0 110.978 175.486 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 42.9 mt-10 -62.86 -40.91 98.94 Favored 'General case' 0 N--CA 1.468 0.464 0 O-C-N 121.451 -0.781 . . . . 0.0 111.954 175.652 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -63.55 -38.71 92.18 Favored 'General case' 0 CA--C 1.543 0.689 0 N-CA-C 113.117 0.784 . . . . 0.0 113.117 179.87 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 4.6 pp -78.92 -31.29 45.17 Favored 'General case' 0 N--CA 1.47 0.547 0 O-C-N 121.68 -0.638 . . . . 0.0 111.925 176.224 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 16' ' ' TYR . . . . . . . . . . . . . 2.5 t80 -63.51 -41.54 98.5 Favored 'General case' 0 CA--C 1.541 0.598 0 O-C-N 121.404 -0.81 . . . . 0.0 111.697 172.113 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 37.9 mt -67.39 -45.03 77.41 Favored 'General case' 0 N--CA 1.467 0.394 0 C-N-CA 123.933 0.893 . . . . 0.0 112.115 -178.222 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 18' ' ' VAL . . . . . . . . . . . . . 5.4 p -73.52 -30.87 30.97 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.677 0 N-CA-C 112.286 0.476 . . . . 0.0 112.286 179.751 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 19' ' ' CYS . . . . . . . . . . . . . 8.0 t -79.69 -33.9 40.67 Favored 'General case' 0 CA--C 1.542 0.672 0 C-N-CA 123.746 0.818 . . . . 0.0 112.76 179.231 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . -83.73 5.89 76.49 Favored Glycine 0 CA--C 1.538 1.483 0 C-N-CA 125.719 1.628 . . . . 0.0 115.27 177.172 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 31.1 tt0 -65.27 143.43 57.8 Favored 'General case' 0 CA--C 1.544 0.74 0 CA-C-N 119.01 1.405 . . . . 0.0 112.556 -179.003 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 22' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -77.93 11.51 2.19 Favored 'General case' 0 N--CA 1.481 1.076 0 N-CA-C 116.003 1.853 . . . . 0.0 116.003 -174.783 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . -165.15 -175.49 35.88 Favored Glycine 0 CA--C 1.533 1.167 0 C-N-CA 125.549 1.547 . . . . 0.0 112.852 -179.359 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 24' ' ' DHI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' B' B ' 25' ' ' PHE . . . . . . . . . . . . . 44.9 m-85 -65.13 153.38 41.03 Favored 'General case' 0 CA--C 1.542 0.648 0 C-N-CA 124.904 1.282 . . . . 0.0 113.53 -173.82 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 26' ' ' TYR . . . . . . . . . . . . . 57.6 m-85 -67.95 156.11 37.96 Favored 'General case' 0 CA--C 1.539 0.552 0 C-N-CA 124.993 1.317 . . . . 0.0 112.956 -178.637 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 27' ' ' THR . . . . . . . . . . . . . 22.9 m -62.15 -53.99 53.95 Favored Pre-proline 0 N--CA 1.476 0.87 0 CA-C-O 117.861 -1.066 . . . . 0.0 112.641 175.951 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 28' ' ' PRO . . . . . . . . . . . . . 79.6 Cg_endo -70.26 142.51 45.88 Favored 'Trans proline' 0 CA--C 1.54 0.79 0 C-N-CA 122.847 2.365 . . . . 0.0 111.398 167.964 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 65.4 mttp -140.38 154.08 46.59 Favored 'General case' 0 N--CA 1.475 0.821 0 C-N-CA 126.007 1.723 . . . . 0.0 111.066 -179.979 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 30' ' ' THR . . . . . . . . . . . . . 24.2 p . . . . . 0 C--O 1.253 1.283 0 C-N-CA 126.458 1.903 . . . . 0.0 112.369 -178.232 . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.603 0 N-CA-C 111.329 -0.709 . . . . 0.0 111.329 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 12.9 tt -48.52 -47.57 14.8 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.021 0 C-N-CA 125.582 1.553 . . . . 0.0 114.547 -170.66 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 7.5 p -64.05 -43.62 97.57 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.923 0 CA-C-N 119.411 1.005 . . . . 0.0 112.107 -175.751 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 47.1 mt-10 -73.54 -8.6 56.6 Favored 'General case' 0 N--CA 1.474 0.741 0 C-N-CA 124.18 0.992 . . . . 0.0 113.584 176.032 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 46.0 mt-30 -104.13 -22.04 13.48 Favored 'General case' 0 CA--C 1.543 0.685 0 C-N-CA 125.121 1.368 . . . . 0.0 113.208 176.349 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 91.6 m -107.88 -30.93 8.22 Favored 'General case' 0 CA--C 1.547 0.838 0 C-N-CA 125.486 1.514 . . . . 0.0 115.035 178.96 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 19.9 t -80.93 -32.51 34.57 Favored 'General case' 0 N--CA 1.473 0.71 0 O-C-N 120.748 -1.22 . . . . 0.0 113.076 -171.283 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 13.9 t -93.13 -23.36 18.62 Favored 'General case' 0 N--CA 1.48 1.048 0 C-N-CA 124.978 1.311 . . . . 0.0 113.8 -176.761 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 10.8 t -153.62 159.79 42.22 Favored 'General case' 0 N--CA 1.471 0.581 0 C-N-CA 126.132 1.773 . . . . 0.0 110.304 175.537 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 22.1 mt -61.59 133.35 27.36 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.754 0 C-N-CA 123.573 0.749 . . . . 0.0 111.231 -177.816 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 21.0 p -112.8 163.49 14.54 Favored 'General case' 0 CA--C 1.541 0.628 0 C-N-CA 125.287 1.435 . . . . 0.0 111.516 171.504 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 68.0 m -121.81 161.92 21.82 Favored 'General case' 0 N--CA 1.475 0.821 0 C-N-CA 123.984 0.913 . . . . 0.0 113.274 -169.163 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 2.3 pt? -54.75 -33.19 60.89 Favored 'General case' 0 N--CA 1.473 0.675 0 C-N-CA 124.113 0.965 . . . . 0.0 113.58 -179.981 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 39.6 m-85 -64.05 -25.83 68.28 Favored 'General case' 0 CA--C 1.541 0.623 0 C-N-CA 124.391 1.076 . . . . 0.0 113.01 177.003 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 40.1 mt-30 -84.71 -45.89 11.98 Favored 'General case' 0 N--CA 1.467 0.381 0 C-N-CA 124.777 1.231 . . . . 0.0 110.707 172.336 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 60.3 mt -59.06 -39.93 83.59 Favored 'General case' 0 CA--C 1.54 0.584 0 C-N-CA 123.306 0.643 . . . . 0.0 112.551 178.69 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 4.1 mm-40 -54.76 -38.58 67.37 Favored 'General case' 0 CA--C 1.543 0.711 0 C-N-CA 125.175 1.39 . . . . 0.0 112.419 172.063 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 87.7 m-20 -77.71 -33.73 52.99 Favored 'General case' 0 CA--C 1.539 0.558 0 C-N-CA 124.015 0.926 . . . . 0.0 112.186 -179.825 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 19.7 m-85 -69.75 -31.42 69.37 Favored 'General case' 0 CA--C 1.543 0.675 0 CA-C-N 118.977 0.808 . . . . 0.0 112.184 173.566 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 95.4 m -75.06 -19.64 59.9 Favored 'General case' 0 CA--C 1.545 0.756 0 N-CA-C 113.982 1.104 . . . . 0.0 113.982 174.342 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 56.0 t-20 . . . . . 0 CA--C 1.543 0.686 0 C-N-CA 124.27 1.028 . . . . 0.0 112.134 -177.463 . . . . . . . . 0 0 . 1 . 008 nuclear build full ' B' B ' 1' ' ' PHE . . . . . . . . . . . . . 16.3 t80 . . . . . 0 CA--C 1.539 0.535 0 N-CA-C 112.295 0.48 . . . . 0.0 112.295 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' B' B ' 2' ' ' VAL . . . . . . . . . . . . . 8.4 m -128.95 128.11 66.94 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.662 0 C-N-CA 125.466 1.506 . . . . 0.0 109.262 162.34 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 3' ' ' ASN . . . . . . . . . . . . . 35.1 p-10 -75.95 165.5 24.88 Favored 'General case' 0 CA--C 1.541 0.61 0 N-CA-C 114.643 1.349 . . . . 0.0 114.643 -177.682 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 4' ' ' GLN . . . . . . . . . . . . . 8.8 pt20 -161.89 -167.9 1.79 Allowed 'General case' 0 CA--C 1.545 0.751 0 C-N-CA 129.129 2.972 . . . . 0.0 107.585 177.167 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 5' ' ' HIS . . . . . . . . . . . . . 27.4 m-70 -77.29 65.96 2.96 Favored 'General case' 0 N--CA 1.472 0.666 0 C-N-CA 126.268 1.827 . . . . 0.0 110.759 173.703 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 59.2 mt -64.63 126.99 29.65 Favored 'General case' 0 CA--C 1.535 0.366 0 C-N-CA 125.768 1.627 . . . . 0.0 112.716 -169.026 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 7' ' ' CYS . . . . . . . . . . . . . 3.4 t -151.72 158.6 43.6 Favored 'General case' 0 CA--C 1.541 0.633 0 C-N-CA 123.596 0.758 . . . . 0.0 112.095 -178.456 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 8' ' ' GLY . . . . . . . . . . . . . . . 57.37 -135.65 51.45 Favored Glycine 0 CA--C 1.535 1.328 0 C-N-CA 123.77 0.7 . . . . 0.0 113.378 178.425 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 9' ' ' SER . . . . . . . . . . . . . 36.3 p -62.25 -32.88 73.64 Favored 'General case' 0 N--CA 1.472 0.654 0 N-CA-C 113.447 0.906 . . . . 0.0 113.447 177.563 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 10' ' ' HIS . . . . . . . . . . . . . 32.0 m170 -63.68 -36.38 83.65 Favored 'General case' 0 N--CA 1.474 0.727 0 O-C-N 121.492 -0.755 . . . . 0.0 112.271 177.48 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 58.4 tp -66.04 -43.18 88.27 Favored 'General case' 0 N--CA 1.468 0.451 0 C-N-CA 124.02 0.928 . . . . 0.0 111.883 174.99 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 64.0 t -63.84 -43.7 97.93 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.684 0 C-N-CA 123.678 0.791 . . . . 0.0 110.875 176.532 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 42.5 mt-10 -65.97 -42.49 89.81 Favored 'General case' 0 N--CA 1.47 0.536 0 O-C-N 121.685 -0.634 . . . . 0.0 112.553 176.424 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -65.02 -38.39 90.74 Favored 'General case' 0 CA--C 1.539 0.521 0 O-C-N 121.272 -0.893 . . . . 0.0 113.194 -179.354 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 3.3 pp -76.24 -36.86 58.3 Favored 'General case' 0 CA--C 1.537 0.475 0 O-C-N 121.855 -0.528 . . . . 0.0 110.682 177.549 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 16' ' ' TYR . . . . . . . . . . . . . 5.2 t80 -58.77 -38.94 79.61 Favored 'General case' 0 CA--C 1.541 0.612 0 O-C-N 121.357 -0.839 . . . . 0.0 111.967 170.634 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 20.3 mt -68.84 -51.09 44.27 Favored 'General case' 0 N--CA 1.464 0.256 0 C-N-CA 123.97 0.908 . . . . 0.0 112.067 -179.866 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 18' ' ' VAL . . . . . . . . . . . . . 6.4 p -70.57 -36.9 67.76 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.534 0 N-CA-C 111.807 0.299 . . . . 0.0 111.807 -176.63 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 19' ' ' CYS . . . . . . . . . . . . . 78.0 m -87.07 -27.68 23.01 Favored 'General case' 0 CA--C 1.536 0.441 0 C-N-CA 123.895 0.878 . . . . 0.0 113.13 -176.408 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . -61.61 -28.52 69.92 Favored Glycine 0 CA--C 1.533 1.207 0 O-C-N 121.273 -0.892 . . . . 0.0 113.592 176.872 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 8.6 tp10 -64.08 -30.71 71.76 Favored 'General case' 0 N--CA 1.473 0.678 0 C-N-CA 124.455 1.102 . . . . 0.0 112.86 173.825 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 22' ' ' ARG . . . . . . . . . . . . . 6.9 mpt_? -86.08 -34.41 20.68 Favored 'General case' 0 N--CA 1.473 0.712 0 C-N-CA 125.956 1.703 . . . . 0.0 112.367 173.323 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . -73.16 -25.45 73.32 Favored Glycine 0 CA--C 1.536 1.348 0 C-N-CA 125.059 1.314 . . . . 0.0 115.11 -179.726 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 24' ' ' DHI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' B' B ' 25' ' ' PHE . . . . . . . . . . . . . 38.9 m-85 -77.07 137.96 39.26 Favored 'General case' 0 CA--C 1.538 0.497 0 C-N-CA 123.924 0.89 . . . . 0.0 111.804 -178.713 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 26' ' ' TYR . . . . . . . . . . . . . 73.4 m-85 -98.94 138.21 36.38 Favored 'General case' 0 N--CA 1.469 0.488 0 C-N-CA 124.686 1.194 . . . . 0.0 111.737 179.472 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 27' ' ' THR . . . . . . . . . . . . . 3.7 m 48.11 48.56 6.08 Favored Pre-proline 0 N--CA 1.48 1.06 0 C-N-CA 125.718 1.607 . . . . 0.0 114.094 177.074 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 28' ' ' PRO . . . . . . . . . . . . . 83.4 Cg_endo -71.77 112.69 3.44 Favored 'Trans proline' 0 C--N 1.355 0.887 0 C-N-CA 122.478 2.119 . . . . 0.0 111.955 -172.58 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 3.5 tmtp? 48.94 28.3 1.93 Allowed 'General case' 0 N--CA 1.482 1.167 0 C-N-CA 126.853 2.061 . . . . 0.0 115.05 -178.788 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 30' ' ' THR . . . . . . . . . . . . . 11.9 m . . . . . 0 C--O 1.252 1.224 0 C-N-CA 124.981 1.312 . . . . 0.0 112.343 -177.533 . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.596 0 CA-C-O 121.124 0.291 . . . . 0.0 112.406 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 15.8 tt -75.31 -41.78 43.52 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.891 0 C-N-CA 124.707 1.203 . . . . 0.0 114.138 -172.904 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 14.4 t -62.79 -49.75 82.44 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.006 0 C-N-CA 123.979 0.912 . . . . 0.0 111.365 -172.048 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 16.4 pt-20 -64.66 -21.86 66.83 Favored 'General case' 0 CA--C 1.547 0.828 0 N-CA-C 113.941 1.089 . . . . 0.0 113.941 176.93 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 65.3 mm-40 -87.72 -33.8 18.6 Favored 'General case' 0 N--CA 1.469 0.491 0 C-N-CA 124.366 1.067 . . . . 0.0 112.891 177.266 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 96.6 m -110.62 -29.61 7.96 Favored 'General case' 0 CA--C 1.543 0.682 0 N-CA-C 114.879 1.437 . . . . 0.0 114.879 -170.828 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 20.6 t -88.2 -35.27 17.44 Favored 'General case' 0 N--CA 1.474 0.741 0 CA-C-N 119.546 1.066 . . . . 0.0 113.024 -171.653 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 12.0 t -107.89 -13.06 15.07 Favored 'General case' 0 N--CA 1.482 1.134 0 C-N-CA 125.575 1.55 . . . . 0.0 113.422 179.987 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 72.1 m -136.05 165.39 25.81 Favored 'General case' 0 N--CA 1.471 0.601 0 C-N-CA 127.155 2.182 . . . . 0.0 110.107 175.694 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 52.5 mt -81.34 136.08 23.8 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.708 0 O-C-N 121.329 -0.857 . . . . 0.0 110.041 174.12 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 19.4 p -121.8 169.03 11.16 Favored 'General case' 0 CA--C 1.543 0.683 0 C-N-CA 125.402 1.481 . . . . 0.0 111.979 173.927 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 46.1 m -124.98 160.9 27.88 Favored 'General case' 0 N--CA 1.474 0.765 0 C-N-CA 124.761 1.225 . . . . 0.0 112.48 -172.03 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -57.11 -28.41 62.66 Favored 'General case' 0 N--CA 1.471 0.603 0 N-CA-C 114.335 1.235 . . . . 0.0 114.335 -179.672 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 43.3 m-85 -62.47 -28.95 70.18 Favored 'General case' 0 CA--C 1.541 0.599 0 C-N-CA 124.544 1.138 . . . . 0.0 112.809 174.932 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 34.9 mt-30 -83.9 -44.53 14.17 Favored 'General case' 0 CA--C 1.536 0.424 0 C-N-CA 124.686 1.195 . . . . 0.0 110.448 175.271 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 76.9 mt -59.45 -36.51 76.08 Favored 'General case' 0 CA--C 1.543 0.701 0 C-N-CA 123.549 0.74 . . . . 0.0 112.958 177.823 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 4.4 mm-40 -60.71 -32.31 71.56 Favored 'General case' 0 CA--C 1.541 0.629 0 C-N-CA 124.819 1.248 . . . . 0.0 113.099 172.344 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 90.2 m-20 -79.04 -39.66 33.39 Favored 'General case' 0 CA--C 1.54 0.577 0 C-N-CA 123.437 0.695 . . . . 0.0 111.528 177.083 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 22.9 m-85 -65.73 -22.82 66.64 Favored 'General case' 0 N--CA 1.473 0.707 0 N-CA-C 113.487 0.921 . . . . 0.0 113.487 178.207 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 21.1 t -60.9 -25.28 66.62 Favored 'General case' 0 CA--C 1.548 0.868 0 N-CA-C 113.216 0.821 . . . . 0.0 113.216 171.676 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 37.8 m-80 . . . . . 0 N--CA 1.472 0.656 0 C-N-CA 126.11 1.764 . . . . 0.0 113.031 -179.366 . . . . . . . . 0 0 . 1 . 009 nuclear build full ' B' B ' 1' ' ' PHE . . . . . . . . . . . . . 59.4 t80 . . . . . 0 CA--C 1.539 0.55 0 N-CA-C 112.203 0.445 . . . . 0.0 112.203 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' B' B ' 2' ' ' VAL . . . . . . . . . . . . . 59.1 t -134.34 127.16 50.18 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.797 0 C-N-CA 125.277 1.431 . . . . 0.0 109.192 176.019 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 3' ' ' ASN . . . . . . . . . . . . . 3.9 p-10 -57.03 129.26 40.93 Favored 'General case' 0 CA--C 1.535 0.377 0 C-N-CA 123.868 0.867 . . . . 0.0 112.903 179.081 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 4' ' ' GLN . . . . . . . . . . . . . 5.1 pt20 -163.71 155.56 17.08 Favored 'General case' 0 CA--C 1.537 0.458 0 C-N-CA 125.528 1.531 . . . . 0.0 110.481 173.635 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 5' ' ' HIS . . . . . . . . . . . . . 43.1 m-70 -73.06 77.48 1.22 Allowed 'General case' 0 CA--C 1.546 0.813 0 C-N-CA 124.997 1.319 . . . . 0.0 111.243 171.16 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 75.3 mt -64.16 126.52 28.0 Favored 'General case' 0 N--CA 1.471 0.598 0 C-N-CA 124.816 1.246 . . . . 0.0 112.192 179.475 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 7' ' ' CYS . . . . . . . . . . . . . 4.1 t -151.76 160.83 43.44 Favored 'General case' 0 N--CA 1.471 0.613 0 N-CA-C 112.872 0.693 . . . . 0.0 112.872 178.302 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 8' ' ' GLY . . . . . . . . . . . . . . . 58.64 -137.14 50.54 Favored Glycine 0 CA--C 1.532 1.151 0 C-N-CA 124.001 0.81 . . . . 0.0 112.862 179.998 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 9' ' ' SER . . . . . . . . . . . . . 24.8 m -58.17 -35.69 71.94 Favored 'General case' 0 N--CA 1.473 0.693 0 C-N-CA 123.65 0.78 . . . . 0.0 112.825 178.12 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 10' ' ' HIS . . . . . . . . . . . . . 32.5 m170 -62.96 -37.3 86.52 Favored 'General case' 0 N--CA 1.472 0.675 0 C-N-CA 123.617 0.767 . . . . 0.0 112.471 178.708 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 51.9 tp -67.39 -43.33 81.58 Favored 'General case' 0 CA--C 1.536 0.406 0 C-N-CA 124.171 0.989 . . . . 0.0 112.173 176.179 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 75.9 t -66.2 -43.61 91.83 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.697 0 C-N-CA 123.746 0.818 . . . . 0.0 110.849 177.165 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 42.2 mt-10 -66.0 -42.67 89.45 Favored 'General case' 0 N--CA 1.467 0.401 0 O-C-N 121.613 -0.679 . . . . 0.0 112.117 176.956 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -62.79 -39.76 95.25 Favored 'General case' 0 CA--C 1.539 0.532 0 CA-C-N 119.272 0.942 . . . . 0.0 113.026 -178.392 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 15' ' ' LEU . . . . . 0.404 ' HA ' HG12 ' B' ' 18' ' ' VAL . 3.2 pp -77.45 -33.45 54.72 Favored 'General case' 0 N--CA 1.467 0.414 0 O-C-N 121.798 -0.564 . . . . 0.0 111.809 179.405 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 16' ' ' TYR . . . . . . . . . . . . . 3.4 t80 -63.22 -43.22 98.7 Favored 'General case' 0 CA--C 1.539 0.552 0 C-N-CA 123.83 0.852 . . . . 0.0 111.298 171.579 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 43.2 mt -69.06 -45.58 69.99 Favored 'General case' 0 N--CA 1.467 0.417 0 C-N-CA 123.978 0.911 . . . . 0.0 112.435 -178.936 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 18' ' ' VAL . . . . . 0.404 HG12 ' HA ' ' B' ' 15' ' ' LEU . 3.9 p -71.8 -31.26 40.71 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.84 0 N-CA-C 112.272 0.471 . . . . 0.0 112.272 -177.489 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 19' ' ' CYS . . . . . . . . . . . . . 21.0 t -81.7 -37.55 27.19 Favored 'General case' 0 CA--C 1.542 0.657 0 C-N-CA 124.135 0.974 . . . . 0.0 112.066 177.658 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . -84.16 31.29 3.47 Favored Glycine 0 CA--C 1.537 1.414 0 C-N-CA 126.513 2.006 . . . . 0.0 114.238 174.412 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 1.9 mm-40 -63.83 163.59 11.54 Favored 'General case' 0 CA--C 1.547 0.844 0 C-N-CA 124.601 1.161 . . . . 0.0 113.931 -179.59 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 22' ' ' ARG . . . . . . . . . . . . . 15.0 ptp180 -68.01 -15.9 63.81 Favored 'General case' 0 N--CA 1.477 0.907 0 C-N-CA 127.164 2.186 . . . . 0.0 116.41 -164.675 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . -62.66 158.37 36.53 Favored Glycine 0 CA--C 1.539 1.573 0 C-N-CA 124.614 1.102 . . . . 0.0 114.015 -179.654 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 24' ' ' DHI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' B' B ' 25' ' ' PHE . . . . . . . . . . . . . 10.1 m-85 -70.38 -10.66 59.68 Favored 'General case' 0 N--CA 1.477 0.895 0 N-CA-C 115.614 1.709 . . . . 0.0 115.614 -169.455 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 26' ' ' TYR . . . . . . . . . . . . . 7.4 m-85 -128.95 161.13 30.61 Favored 'General case' 0 C--N 1.322 -0.607 0 C-N-CA 127.748 2.419 . . . . 0.0 112.243 -173.487 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 27' ' ' THR . . . . . . . . . . . . . 15.3 t -144.68 133.93 11.33 Favored Pre-proline 0 N--CA 1.473 0.712 0 C-N-CA 123.699 0.799 . . . . 0.0 111.045 164.008 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 28' ' ' PRO . . . . . . . . . . . . . 67.0 Cg_exo -57.87 151.06 59.32 Favored 'Trans proline' 0 CA--C 1.54 0.785 0 C-N-CA 123.337 2.691 . . . . 0.0 112.751 165.585 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 99.2 mttt -139.38 154.62 47.87 Favored 'General case' 0 N--CA 1.476 0.831 0 C-N-CA 125.883 1.673 . . . . 0.0 111.267 -179.443 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 30' ' ' THR . . . . . . . . . . . . . 29.3 m . . . . . 0 C--O 1.252 1.236 0 C-N-CA 126.399 1.88 . . . . 0.0 110.931 -178.692 . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.634 0 N-CA-C 111.145 -0.782 . . . . 0.0 111.145 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 12.2 tt -42.16 -50.56 0.93 Allowed 'Isoleucine or valine' 0 N--CA 1.482 1.128 0 C-N-CA 126.803 2.041 . . . . 0.0 115.831 -165.972 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 9.8 p -62.68 -43.77 98.88 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.779 0 C-N-CA 123.525 0.73 . . . . 0.0 112.708 -170.249 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 46.9 mt-10 -78.27 -46.92 19.03 Favored 'General case' 0 N--CA 1.464 0.275 0 C-N-CA 123.39 0.676 . . . . 0.0 110.326 172.472 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 45.4 tt0 -59.33 -41.25 88.69 Favored 'General case' 0 CA--C 1.535 0.38 0 C-N-CA 124.324 1.05 . . . . 0.0 112.877 -171.135 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 57.5 m -85.21 -26.53 26.67 Favored 'General case' 0 CA--C 1.539 0.524 0 N-CA-C 113.339 0.866 . . . . 0.0 113.339 177.482 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 6.6 t -78.29 -26.99 47.26 Favored 'General case' 0 CA--C 1.546 0.82 0 CA-C-N 119.327 0.967 . . . . 0.0 112.594 176.841 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 1.3 t -99.19 -21.93 15.89 Favored 'General case' 0 N--CA 1.478 0.935 0 C-N-CA 125.462 1.505 . . . . 0.0 114.06 -179.624 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 6.5 t -148.89 177.96 9.09 Favored 'General case' 0 N--CA 1.471 0.615 0 C-N-CA 125.387 1.475 . . . . 0.0 112.198 -177.228 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 34.9 mt -70.49 143.51 14.54 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.532 0 C-N-CA 124.485 1.114 . . . . 0.0 111.77 179.77 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 54.2 m -122.94 132.11 54.02 Favored 'General case' 0 CA--C 1.538 0.498 0 C-N-CA 124.776 1.23 . . . . 0.0 111.587 167.126 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 95.7 p -85.85 168.26 14.42 Favored 'General case' 0 N--CA 1.469 0.517 0 C-N-CA 124.858 1.263 . . . . 0.0 112.531 172.891 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -59.64 -28.13 66.95 Favored 'General case' 0 CA--C 1.541 0.602 0 N-CA-C 112.978 0.733 . . . . 0.0 112.978 167.38 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 37.0 m-85 -69.73 -41.59 75.08 Favored 'General case' 0 N--CA 1.466 0.371 0 O-C-N 121.719 -0.613 . . . . 0.0 111.308 176.614 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 39.7 mt-30 -65.26 -47.47 76.61 Favored 'General case' 0 N--CA 1.465 0.319 0 C-N-CA 123.454 0.702 . . . . 0.0 110.64 175.926 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 77.0 mt -62.56 -36.16 81.79 Favored 'General case' 0 CA--C 1.542 0.672 0 C-N-CA 123.819 0.847 . . . . 0.0 113.025 -179.907 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 37.6 mt-10 -68.67 -40.42 80.15 Favored 'General case' 0 N--CA 1.473 0.676 0 O-C-N 121.596 -0.69 . . . . 0.0 112.557 169.213 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 95.5 m-20 -64.08 -31.47 72.67 Favored 'General case' 0 CA--C 1.542 0.654 0 O-C-N 121.075 -1.016 . . . . 0.0 112.56 177.456 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 25.0 m-85 -73.56 -34.75 65.3 Favored 'General case' 0 CA--C 1.54 0.593 0 CA-C-N 118.652 0.66 . . . . 0.0 112.73 175.038 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 2.6 p -81.06 -34.04 33.02 Favored 'General case' 0 CA--C 1.541 0.598 0 N-CA-C 113.369 0.878 . . . . 0.0 113.369 -179.379 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 53.3 t-20 . . . . . 0 CA--C 1.544 0.726 0 C-N-CA 125.198 1.399 . . . . 0.0 112.201 179.398 . . . . . . . . 0 0 . 1 . 010 nuclear build full ' B' B ' 1' ' ' PHE . . . . . . . . . . . . . 55.3 t80 . . . . . 0 CA--C 1.54 0.578 0 N-CA-C 112.199 0.444 . . . . 0.0 112.199 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' B' B ' 2' ' ' VAL . . . . . . . . . . . . . 22.2 m -135.59 139.51 46.32 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.789 0 C-N-CA 124.985 1.314 . . . . 0.0 110.102 165.249 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 3' ' ' ASN . . . . . . . . . . . . . 77.1 m-20 -57.85 136.62 57.01 Favored 'General case' 0 N--CA 1.468 0.474 0 C-N-CA 123.015 0.526 . . . . 0.0 111.662 178.692 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 4' ' ' GLN . . . . . . . . . . . . . 8.2 pt20 -164.38 158.7 18.86 Favored 'General case' 0 CA--C 1.535 0.372 0 C-N-CA 124.778 1.231 . . . . 0.0 110.809 -176.963 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 5' ' ' HIS . . . . . . . . . . . . . 26.9 m80 -66.45 140.78 58.05 Favored 'General case' 0 CA--C 1.543 0.683 0 C-N-CA 125.061 1.344 . . . . 0.0 109.845 162.364 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 62.0 mt -142.35 129.33 20.72 Favored 'General case' 0 N--CA 1.473 0.685 0 C-N-CA 125.17 1.388 . . . . 0.0 111.386 -175.07 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 7' ' ' CYS . . . . . . . . . . . . . 4.9 t -147.34 158.38 43.94 Favored 'General case' 0 CA--C 1.54 0.586 0 C-N-CA 123.339 0.656 . . . . 0.0 112.361 -179.059 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 8' ' ' GLY . . . . . . . . . . . . . . . 58.12 -136.95 50.46 Favored Glycine 0 CA--C 1.534 1.226 0 C-N-CA 124.048 0.832 . . . . 0.0 113.612 177.851 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 9' ' ' SER . . . . . . . . . . . . . 38.7 p -59.85 -32.07 70.34 Favored 'General case' 0 N--CA 1.472 0.628 0 C-N-CA 124.198 0.999 . . . . 0.0 113.543 178.275 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 10' ' ' HIS . . . . . . . . . . . . . 26.4 m-70 -66.89 -37.65 84.79 Favored 'General case' 0 N--CA 1.47 0.574 0 CA-C-N 118.721 0.691 . . . . 0.0 111.781 178.502 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 58.1 tp -65.75 -44.58 85.48 Favored 'General case' 0 CA--C 1.537 0.465 0 C-N-CA 124.107 0.963 . . . . 0.0 111.95 174.243 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 85.8 t -63.36 -45.22 98.69 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.78 0 C-N-CA 123.658 0.783 . . . . 0.0 111.031 178.351 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 39.0 mt-10 -67.65 -41.93 83.04 Favored 'General case' 0 N--CA 1.469 0.518 0 O-C-N 121.697 -0.627 . . . . 0.0 112.396 177.008 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -63.59 -40.23 96.41 Favored 'General case' 0 CA--C 1.538 0.499 0 CA-C-N 119.029 0.832 . . . . 0.0 112.733 -179.211 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 15' ' ' LEU . . . . . 0.424 ' HA ' HG12 ' B' ' 18' ' ' VAL . 3.1 pp -75.53 -35.22 60.76 Favored 'General case' 0 N--CA 1.469 0.502 0 CA-C-N 118.436 0.562 . . . . 0.0 111.572 179.704 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 16' ' ' TYR . . . . . . . . . . . . . 2.6 t80 -61.22 -44.11 97.79 Favored 'General case' 0 CA--C 1.54 0.558 0 C-N-CA 123.913 0.885 . . . . 0.0 111.16 173.08 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 53.6 mt -67.07 -51.64 52.01 Favored 'General case' 0 CA--C 1.532 0.275 0 C-N-CA 123.49 0.716 . . . . 0.0 111.789 179.401 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 18' ' ' VAL . . . . . 0.424 HG12 ' HA ' ' B' ' 15' ' ' LEU . 4.9 p -72.42 -28.65 29.02 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.777 0 N-CA-C 112.917 0.71 . . . . 0.0 112.917 -173.302 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 19' ' ' CYS . . . . . . . . . . . . . 9.1 t -81.0 -33.2 33.86 Favored 'General case' 0 CA--C 1.545 0.76 0 C-N-CA 123.389 0.676 . . . . 0.0 112.187 174.799 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . -83.5 -24.78 49.49 Favored Glycine 0 CA--C 1.536 1.397 0 C-N-CA 124.755 1.169 . . . . 0.0 115.4 -179.262 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -62.67 150.51 40.75 Favored 'General case' 0 N--CA 1.472 0.65 0 CA-C-N 119.203 1.501 . . . . 0.0 114.942 -173.114 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 22' ' ' ARG . . . . . . . . . . . . . 6.7 mmp_? -84.73 51.01 2.03 Favored 'General case' 0 N--CA 1.472 0.662 0 C-N-CA 127.213 2.205 . . . . 0.0 112.439 -174.837 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . 75.84 -159.29 50.73 Favored Glycine 0 CA--C 1.535 1.31 0 C-N-CA 124.976 1.274 . . . . 0.0 113.889 -177.393 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 24' ' ' DHI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' B' B ' 25' ' ' PHE . . . . . . . . . . . . . 29.7 m-85 -76.09 158.93 31.26 Favored 'General case' 0 CA--C 1.541 0.632 0 C-N-CA 125.178 1.391 . . . . 0.0 112.79 -178.151 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 26' ' ' TYR . . . . . . . . . . . . . 58.8 m-85 -74.59 164.84 26.12 Favored 'General case' 0 CA--C 1.543 0.7 0 C-N-CA 124.029 0.932 . . . . 0.0 113.292 176.932 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 27' ' ' THR . . . . . . . . . . . . . 8.9 m -118.33 -37.19 0.06 OUTLIER Pre-proline 0 N--CA 1.482 1.134 0 C-N-CA 125.777 1.631 . . . . 0.0 114.358 -179.923 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 28' ' ' PRO . . . . . . . . . . . . . 55.0 Cg_exo -62.04 135.5 55.46 Favored 'Trans proline' 0 C--N 1.355 0.902 0 C-N-CA 122.905 2.404 . . . . 0.0 113.066 177.718 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 39.2 ttmt -147.17 143.65 28.38 Favored 'General case' 0 N--CA 1.475 0.777 0 C-N-CA 125.376 1.47 . . . . 0.0 111.073 -172.209 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 30' ' ' THR . . . . . . . . . . . . . 14.8 t . . . . . 0 C--O 1.253 1.26 0 C-N-CA 126.076 1.751 . . . . 0.0 111.851 178.92 . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.68 0 N-CA-C 112.638 -0.185 . . . . 0.0 112.638 . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 2' ' ' ILE . . . . . 0.777 HD13 ' CD2' ' A' ' 19' ' ' TYR . 0.6 OUTLIER -46.1 -51.01 4.09 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.016 0 C-N-CA 126.843 2.057 . . . . 0.0 114.7 -174.872 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 7.6 p -57.56 -43.26 82.86 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.885 0 O-C-N 121.123 -0.985 . . . . 0.0 112.497 177.837 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 42.0 mt-10 -70.09 -31.79 69.54 Favored 'General case' 0 N--CA 1.475 0.822 0 O-C-N 120.715 -1.241 . . . . 0.0 112.541 176.66 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 7.7 mm100 -71.03 -28.46 64.41 Favored 'General case' 0 CA--C 1.541 0.617 0 C-N-CA 124.053 0.941 . . . . 0.0 112.839 178.771 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 67.7 m -116.71 -30.37 5.81 Favored 'General case' 0 CA--C 1.547 0.838 0 N-CA-C 115.81 1.782 . . . . 0.0 115.81 -174.308 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 29.4 t -82.39 -32.62 29.09 Favored 'General case' 0 N--CA 1.477 0.885 0 CA-C-N 120.528 1.513 . . . . 0.0 113.112 -170.065 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 14.4 t -113.26 -10.53 13.33 Favored 'General case' 0 N--CA 1.48 1.026 0 C-N-CA 125.673 1.589 . . . . 0.0 113.413 -176.683 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 8.4 t -143.16 163.1 33.83 Favored 'General case' 0 N--CA 1.469 0.506 0 C-N-CA 126.085 1.754 . . . . 0.0 111.185 175.438 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 24.3 mt -70.03 140.4 18.64 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.601 0 C-N-CA 124.096 0.959 . . . . 0.0 111.332 179.798 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 29.3 p -130.38 162.7 28.52 Favored 'General case' 0 CA--C 1.542 0.645 0 C-N-CA 124.627 1.171 . . . . 0.0 112.09 170.15 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 19.6 m -126.31 163.39 23.34 Favored 'General case' 0 N--CA 1.474 0.739 0 C-N-CA 124.418 1.087 . . . . 0.0 112.292 -170.042 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 2.4 pt? -51.64 -36.32 45.63 Favored 'General case' 0 N--CA 1.475 0.791 0 C-N-CA 124.278 1.031 . . . . 0.0 113.242 175.959 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 31.9 m-85 -60.15 -27.35 67.01 Favored 'General case' 0 CA--C 1.539 0.52 0 C-N-CA 125.032 1.333 . . . . 0.0 113.098 177.124 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 7.7 mt-30 -95.71 -40.13 9.53 Favored 'General case' 0 CA--C 1.538 0.483 0 C-N-CA 123.856 0.862 . . . . 0.0 111.764 173.552 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 60.9 mt -60.99 -36.37 79.28 Favored 'General case' 0 N--CA 1.471 0.577 0 C-N-CA 123.949 0.9 . . . . 0.0 112.878 -178.721 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 40.6 mt-10 -66.5 -30.04 70.28 Favored 'General case' 0 CA--C 1.547 0.828 0 O-C-N 121.513 -0.742 . . . . 0.0 112.583 172.36 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 48.0 m-80 -75.79 -33.0 60.13 Favored 'General case' 0 N--CA 1.47 0.567 0 O-C-N 120.965 -1.084 . . . . 0.0 112.801 174.442 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 19' ' ' TYR . . . . . 0.777 ' CD2' HD13 ' A' ' 2' ' ' ILE . 27.1 m-85 -71.16 -27.61 63.67 Favored 'General case' 0 N--CA 1.472 0.662 0 CA-C-N 119.11 0.868 . . . . 0.0 112.355 172.713 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 48.4 t -68.83 -44.4 73.53 Favored 'General case' 0 CA--C 1.545 0.77 0 C-N-CA 123.747 0.819 . . . . 0.0 112.391 167.958 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 50.9 t-20 . . . . . 0 CA--C 1.546 0.789 0 C-N-CA 124.535 1.134 . . . . 0.0 112.58 -176.712 . . . . . . . . 0 0 . 1 . 011 nuclear build full ' B' B ' 1' ' ' PHE . . . . . . . . . . . . . 60.0 t80 . . . . . 0 CA--C 1.541 0.627 0 N-CA-C 112.346 0.498 . . . . 0.0 112.346 . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' B' B ' 2' ' ' VAL . . . . . . . . . . . . . 18.4 m -134.12 139.95 47.18 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.844 0 C-N-CA 125.399 1.479 . . . . 0.0 110.143 166.697 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 3' ' ' ASN . . . . . . . . . . . . . 72.8 m-20 -54.09 139.29 35.49 Favored 'General case' 0 N--CA 1.471 0.586 0 N-CA-C 113.378 0.881 . . . . 0.0 113.378 -179.265 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 4' ' ' GLN . . . . . . . . . . . . . 10.3 pt20 -165.97 155.15 11.69 Favored 'General case' 0 CA--C 1.536 0.412 0 C-N-CA 124.705 1.202 . . . . 0.0 111.672 -172.248 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 5' ' ' HIS . . . . . . . . . . . . . 27.9 m-70 -76.8 143.26 39.92 Favored 'General case' 0 CA--C 1.542 0.669 0 C-N-CA 124.902 1.281 . . . . 0.0 110.144 159.359 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 23.2 mt -144.97 134.23 22.9 Favored 'General case' 0 N--CA 1.473 0.694 0 C-N-CA 126.179 1.792 . . . . 0.0 110.706 -176.658 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 7' ' ' CYS . . . . . . . . . . . . . 3.9 t -149.37 159.95 43.84 Favored 'General case' 0 CA--C 1.541 0.628 0 O-C-N 121.516 -0.74 . . . . 0.0 112.819 -179.245 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 8' ' ' GLY . . . . . . . . . . . . . . . 56.66 -138.83 46.12 Favored Glycine 0 CA--C 1.533 1.206 0 C-N-CA 124.393 0.997 . . . . 0.0 113.543 177.01 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 9' ' ' SER . . . . . . . . . . . . . 22.7 m -59.56 -31.23 69.24 Favored 'General case' 0 N--CA 1.473 0.706 0 N-CA-C 113.2 0.815 . . . . 0.0 113.2 178.065 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 10' ' ' HIS . . . . . . . . . . . . . 28.4 m-70 -67.43 -35.97 80.3 Favored 'General case' 0 N--CA 1.471 0.578 0 O-C-N 121.573 -0.704 . . . . 0.0 111.831 178.25 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 11' ' ' LEU . . . . . 0.551 HD11 HD11 ' A' ' 2' ' ' ILE . 49.9 tp -66.24 -44.12 84.65 Favored 'General case' 0 CA--C 1.537 0.443 0 C-N-CA 123.961 0.904 . . . . 0.0 111.862 174.151 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 84.4 t -63.24 -43.67 98.85 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.787 0 C-N-CA 123.78 0.832 . . . . 0.0 111.085 177.437 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 39.8 mt-10 -67.23 -43.98 80.63 Favored 'General case' 0 CA--C 1.537 0.452 0 O-C-N 121.56 -0.712 . . . . 0.0 112.242 175.682 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -62.77 -40.41 97.2 Favored 'General case' 0 CA--C 1.538 0.499 0 O-C-N 121.182 -0.949 . . . . 0.0 112.805 -179.265 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 3.7 pp -73.85 -31.22 63.09 Favored 'General case' 0 CA--C 1.536 0.406 0 CA-C-N 118.598 0.636 . . . . 0.0 112.279 177.866 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 16' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -63.27 -46.79 85.2 Favored 'General case' 0 N--CA 1.469 0.506 0 CA-C-N 118.771 0.714 . . . . 0.0 110.811 169.705 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 39.2 mt -67.5 -41.49 84.4 Favored 'General case' 0 CA--C 1.535 0.387 0 C-N-CA 124.212 1.005 . . . . 0.0 112.375 -174.091 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 18' ' ' VAL . . . . . . . . . . . . . 4.7 p -75.67 -28.27 19.45 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.745 0 C-N-CA 123.217 0.607 . . . . 0.0 112.537 179.842 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 19' ' ' CYS . . . . . . . . . . . . . 29.6 t -83.26 -32.33 26.49 Favored 'General case' 0 CA--C 1.542 0.646 0 C-N-CA 124.461 1.104 . . . . 0.0 113.686 177.179 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . 76.84 16.34 80.85 Favored Glycine 0 CA--C 1.538 1.503 0 C-N-CA 125.092 1.329 . . . . 0.0 114.382 -172.999 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 32.7 tt0 -135.09 124.17 24.32 Favored 'General case' 0 N--CA 1.47 0.568 0 CA-C-N 118.374 1.087 . . . . 0.0 112.978 -171.845 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 22' ' ' ARG . . . . . . . . . . . . . 98.3 mtt180 -90.69 -24.39 20.46 Favored 'General case' 0 N--CA 1.482 1.16 0 C-N-CA 125.77 1.628 . . . . 0.0 112.39 169.513 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . 152.31 -31.49 0.86 Allowed Glycine 0 CA--C 1.537 1.411 0 C-N-CA 127.943 2.687 . . . . 0.0 111.444 -174.312 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 24' ' ' DHI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' B' B ' 25' ' ' PHE . . . . . . . . . . . . . 40.0 m-85 -68.2 153.35 43.91 Favored 'General case' 0 CA--C 1.542 0.641 0 C-N-CA 125.318 1.447 . . . . 0.0 112.954 -177.3 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 26' ' ' TYR . . . . . . . . . . . . . 60.1 m-85 -74.23 155.57 38.16 Favored 'General case' 0 N--CA 1.471 0.583 0 C-N-CA 124.353 1.061 . . . . 0.0 112.787 179.074 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 27' ' ' THR . . . . . . . . . . . . . 58.6 m -105.96 105.1 52.31 Favored Pre-proline 0 N--CA 1.476 0.861 0 C-N-CA 124.603 1.161 . . . . 0.0 109.883 175.124 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 28' ' ' PRO . . . . . . . . . . . . . 74.0 Cg_endo -68.99 157.72 60.74 Favored 'Trans proline' 0 CA--C 1.54 0.807 0 C-N-CA 123.169 2.58 . . . . 0.0 112.441 179.176 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 45.2 mmtm -108.66 158.01 18.0 Favored 'General case' 0 N--CA 1.471 0.595 0 C-N-CA 125.753 1.621 . . . . 0.0 111.622 -175.275 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 30' ' ' THR . . . . . . . . . . . . . 15.3 t . . . . . 0 C--O 1.254 1.321 0 C-N-CA 126.798 2.039 . . . . 0.0 111.808 178.533 . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.482 1.718 0 N-CA-C 111.66 -0.576 . . . . 0.0 111.66 . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 2' ' ' ILE . . . . . 0.442 HD13 ' CD2' ' A' ' 19' ' ' TYR . 0.9 OUTLIER -62.29 -54.0 40.03 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.965 0 C-N-CA 125.402 1.481 . . . . 0.0 112.993 -174.933 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 7.5 p -62.99 -40.14 87.89 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.99 0 O-C-N 121.078 -1.014 . . . . 0.0 111.803 177.0 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 46.8 mt-10 -75.45 7.39 3.63 Favored 'General case' 0 N--CA 1.475 0.785 0 N-CA-C 114.908 1.447 . . . . 0.0 114.908 175.585 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 18.0 tp60 -116.38 -37.41 3.76 Favored 'General case' 0 CA--C 1.54 0.568 0 C-N-CA 124.624 1.17 . . . . 0.0 112.513 165.466 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 65.9 m -108.31 -13.76 14.82 Favored 'General case' 0 CA--C 1.544 0.712 0 N-CA-C 115.87 1.804 . . . . 0.0 115.87 -170.041 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 34.8 t -95.91 -23.5 16.85 Favored 'General case' 0 N--CA 1.473 0.713 0 CA-C-N 119.405 1.002 . . . . 0.0 111.69 167.714 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 38.8 p -82.39 -33.48 28.7 Favored 'General case' 0 N--CA 1.472 0.638 0 C-N-CA 126.615 1.966 . . . . 0.0 112.73 178.39 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 75.0 m -144.04 169.03 18.61 Favored 'General case' 0 N--CA 1.471 0.606 0 C-N-CA 127.431 2.293 . . . . 0.0 110.749 178.138 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 49.6 mt -65.01 141.94 17.58 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.764 0 O-C-N 121.315 -0.866 . . . . 0.0 110.639 171.945 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 38.2 m -117.13 141.37 48.36 Favored 'General case' 0 CA--C 1.537 0.466 0 C-N-CA 124.532 1.133 . . . . 0.0 111.887 168.046 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 51.1 m -89.39 162.71 15.64 Favored 'General case' 0 N--CA 1.47 0.555 0 C-N-CA 125.13 1.372 . . . . 0.0 111.802 171.794 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 13' ' ' LEU . . . . . 0.402 HD12 ' H ' ' A' ' 14' ' ' TYR . 0.4 OUTLIER -57.06 -34.53 68.36 Favored 'General case' 0 CA--C 1.545 0.775 0 N-CA-C 113.399 0.889 . . . . 0.0 113.399 176.339 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 14' ' ' TYR . . . . . 0.402 ' H ' HD12 ' A' ' 13' ' ' LEU . 44.2 m-85 -61.89 -28.87 69.81 Favored 'General case' 0 CA--C 1.54 0.574 0 C-N-CA 124.669 1.187 . . . . 0.0 113.122 175.471 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 43.4 mt-30 -83.22 -51.97 7.0 Favored 'General case' 0 N--CA 1.465 0.317 0 C-N-CA 124.495 1.118 . . . . 0.0 110.231 176.129 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 96.6 mt -60.01 -38.45 82.69 Favored 'General case' 0 CA--C 1.538 0.509 0 C-N-CA 124.136 0.975 . . . . 0.0 113.074 -175.539 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 39.0 mt-10 -63.96 -26.92 68.8 Favored 'General case' 0 CA--C 1.545 0.752 0 N-CA-C 113.351 0.871 . . . . 0.0 113.351 178.125 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 89.3 m-20 -70.12 -30.97 68.3 Favored 'General case' 0 CA--C 1.541 0.627 0 O-C-N 121.22 -0.925 . . . . 0.0 112.413 178.194 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 19' ' ' TYR . . . . . 0.442 ' CD2' HD13 ' A' ' 2' ' ' ILE . 91.3 m-85 -72.88 -14.75 61.55 Favored 'General case' 0 N--CA 1.471 0.611 0 C-N-CA 124.407 1.083 . . . . 0.0 113.597 178.866 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 20.7 t -76.12 -26.15 56.09 Favored 'General case' 0 CA--C 1.546 0.81 0 C-N-CA 124.532 1.133 . . . . 0.0 113.258 176.233 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 63.3 t-20 . . . . . 0 CA--C 1.542 0.641 0 C-N-CA 124.467 1.107 . . . . 0.0 111.78 -179.489 . . . . . . . . 0 0 . 1 . 012 nuclear build full ' B' B ' 1' ' ' PHE . . . . . . . . . . . . . 84.1 t80 . . . . . 0 CA--C 1.543 0.68 0 N-CA-C 112.556 0.576 . . . . 0.0 112.556 . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' B' B ' 2' ' ' VAL . . . . . . . . . . . . . 61.5 t -133.02 131.11 58.83 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.738 0 C-N-CA 125.775 1.63 . . . . 0.0 108.532 171.454 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 3' ' ' ASN . . . . . . . . . . . . . 8.1 m-20 -54.39 138.8 38.89 Favored 'General case' 0 CA--C 1.536 0.437 0 N-CA-C 113.717 1.006 . . . . 0.0 113.717 -173.848 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 4' ' ' GLN . . . . . . . . . . . . . 7.8 pt20 -168.75 159.13 9.56 Favored 'General case' 0 CA--C 1.537 0.469 0 C-N-CA 126.717 2.007 . . . . 0.0 109.302 -178.092 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 5' ' ' HIS . . . . . . . . . . . . . 28.1 m-70 -67.85 142.68 56.05 Favored 'General case' 0 N--CA 1.471 0.622 0 C-N-CA 123.999 0.92 . . . . 0.0 110.243 162.816 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 49.9 mt -141.9 139.01 32.45 Favored 'General case' 0 N--CA 1.472 0.653 0 C-N-CA 125.62 1.568 . . . . 0.0 110.506 -174.678 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 7' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -142.61 155.51 44.97 Favored 'General case' 0 N--CA 1.474 0.734 0 N-CA-C 113.266 0.839 . . . . 0.0 113.266 -175.488 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 8' ' ' GLY . . . . . . . . . . . . . . . 52.23 -133.74 37.6 Favored Glycine 0 CA--C 1.535 1.318 0 C-N-CA 124.172 0.891 . . . . 0.0 114.129 173.028 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 9' ' ' SER . . . . . . . . . . . . . 37.6 p -61.74 -31.55 71.73 Favored 'General case' 0 N--CA 1.47 0.565 0 N-CA-C 113.455 0.909 . . . . 0.0 113.455 176.761 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 10' ' ' HIS . . . . . . . . . . . . . 30.2 m170 -65.0 -37.44 87.66 Favored 'General case' 0 N--CA 1.47 0.559 0 CA-C-N 119.156 0.889 . . . . 0.0 111.875 176.656 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 43.6 tp -66.97 -45.7 76.89 Favored 'General case' 0 N--CA 1.467 0.395 0 C-N-CA 123.88 0.872 . . . . 0.0 111.894 173.965 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 91.7 t -61.78 -43.84 97.88 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.805 0 C-N-CA 123.523 0.729 . . . . 0.0 111.352 178.77 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 43.7 mt-10 -68.78 -44.56 73.39 Favored 'General case' 0 N--CA 1.47 0.532 0 O-C-N 121.792 -0.567 . . . . 0.0 112.324 175.531 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -64.84 -37.39 87.45 Favored 'General case' 0 CA--C 1.538 0.5 0 CA-C-N 119.297 0.953 . . . . 0.0 112.836 -177.256 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 2.9 pp -75.09 -31.52 61.22 Favored 'General case' 0 N--CA 1.469 0.488 0 CA-C-N 118.494 0.588 . . . . 0.0 111.774 179.857 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 16' ' ' TYR . . . . . . . . . . . . . 4.1 t80 -70.15 -37.46 75.24 Favored 'General case' 0 CA--C 1.541 0.625 0 C-N-CA 125.075 1.35 . . . . 0.0 111.929 172.733 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 42.9 mt -72.03 -43.06 65.58 Favored 'General case' 0 N--CA 1.468 0.44 0 C-N-CA 124.394 1.078 . . . . 0.0 112.311 178.673 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 18' ' ' VAL . . . . . . . . . . . . . 7.0 p -72.16 -28.93 30.65 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.888 0 CA-C-N 118.255 0.48 . . . . 0.0 111.826 177.206 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 19' ' ' CYS . . . . . . . . . . . . . 42.3 t -67.49 -39.65 85.21 Favored 'General case' 0 N--CA 1.466 0.366 0 C-N-CA 124.743 1.217 . . . . 0.0 113.646 169.184 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . 72.19 38.69 58.99 Favored Glycine 0 CA--C 1.532 1.11 0 CA-C-O 119.659 -0.523 . . . . 0.0 112.041 -169.583 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 37.2 tt0 68.51 -32.03 0.21 Allowed 'General case' 0 N--CA 1.485 1.276 0 C-N-CA 128.699 2.8 . . . . 0.0 117.604 171.918 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 22' ' ' ARG . . . . . . . . . . . . . 16.1 ptp180 -76.94 -11.1 59.76 Favored 'General case' 0 N--CA 1.481 1.124 0 N-CA-C 116.343 1.979 . . . . 0.0 116.343 -166.535 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . 65.08 22.19 68.63 Favored Glycine 0 N--CA 1.478 1.434 0 N-CA-C 115.809 1.084 . . . . 0.0 115.809 168.872 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 24' ' ' DHI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' B' B ' 25' ' ' PHE . . . . . . . . . . . . . 56.8 m-85 -92.18 169.75 10.37 Favored 'General case' 0 CA--C 1.541 0.629 0 C-N-CA 124.749 1.22 . . . . 0.0 111.326 167.424 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 26' ' ' TYR . . . . . . . . . . . . . 64.8 m-85 -61.48 143.77 55.34 Favored 'General case' 0 CA--C 1.542 0.663 0 C-N-CA 124.079 0.952 . . . . 0.0 113.067 -174.652 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 27' ' ' THR . . . . . . . . . . . . . 85.9 m -73.54 -41.97 6.24 Favored Pre-proline 0 N--CA 1.48 1.044 0 N-CA-C 113.957 1.095 . . . . 0.0 113.957 -178.756 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 28' ' ' PRO . . . . . . . . . . . . . 51.8 Cg_exo -64.13 150.41 88.4 Favored 'Trans proline' 0 C--N 1.352 0.759 0 C-N-CA 123.057 2.505 . . . . 0.0 113.858 179.156 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 99.1 mttt -79.26 -17.32 54.95 Favored 'General case' 0 N--CA 1.479 1.02 0 N-CA-C 114.183 1.179 . . . . 0.0 114.183 -179.183 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 30' ' ' THR . . . . . . . . . . . . . 34.2 m . . . . . 0 C--O 1.252 1.193 0 C-N-CA 126.506 1.922 . . . . 0.0 111.055 -176.297 . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.632 0 N-CA-C 111.475 -0.65 . . . . 0.0 111.475 . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 8.5 tt -64.28 -43.19 97.17 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.852 0 N-CA-C 114.456 1.28 . . . . 0.0 114.456 -164.297 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 9.7 p -66.87 -47.12 83.53 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.038 0 O-C-N 120.695 -1.253 . . . . 0.0 112.116 -175.216 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 24.5 pt-20 -71.15 3.83 3.22 Favored 'General case' 0 CA--C 1.548 0.883 0 C-N-CA 126.157 1.783 . . . . 0.0 114.609 175.553 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 47.2 mt-30 -118.79 -35.8 3.6 Favored 'General case' 0 CA--C 1.542 0.651 0 C-N-CA 125.127 1.371 . . . . 0.0 112.404 171.926 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 55.8 m -116.09 -10.48 11.52 Favored 'General case' 0 CA--C 1.544 0.717 0 N-CA-C 114.837 1.421 . . . . 0.0 114.837 -169.379 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 43.3 t -95.93 -23.88 16.66 Favored 'General case' 0 N--CA 1.478 0.941 0 CA-C-N 118.842 0.747 . . . . 0.0 111.607 163.911 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 45.4 p -88.38 -36.36 16.62 Favored 'General case' 0 N--CA 1.475 0.796 0 C-N-CA 126.747 2.019 . . . . 0.0 112.953 179.623 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 67.9 m -127.75 175.61 8.18 Favored 'General case' 0 N--CA 1.472 0.642 0 C-N-CA 127.765 2.426 . . . . 0.0 109.747 168.962 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 44.0 mt -70.19 -45.43 75.85 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.898 0 O-C-N 120.812 -1.18 . . . . 0.0 113.732 -169.474 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 89.1 m 58.34 122.18 0.01 OUTLIER 'General case' 0 N--CA 1.477 0.9 0 C-N-CA 126.256 1.822 . . . . 0.0 114.384 -161.7 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 42.4 m -74.79 165.24 25.56 Favored 'General case' 0 N--CA 1.474 0.751 0 O-C-N 121.26 -0.9 . . . . 0.0 111.323 174.017 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -56.78 -32.99 66.19 Favored 'General case' 0 CA--C 1.543 0.679 0 N-CA-C 113.541 0.941 . . . . 0.0 113.541 176.858 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 43.9 m-85 -64.02 -34.33 77.75 Favored 'General case' 0 CA--C 1.539 0.524 0 C-N-CA 124.407 1.083 . . . . 0.0 112.674 174.828 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 46.2 mt-30 -78.46 -47.85 16.59 Favored 'General case' 0 CA--C 1.532 0.276 0 C-N-CA 124.311 1.044 . . . . 0.0 110.413 177.531 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 99.6 mt -60.37 -35.15 75.03 Favored 'General case' 0 CA--C 1.54 0.591 0 N-CA-C 113.028 0.751 . . . . 0.0 113.028 178.56 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 21.6 mt-10 -67.64 -27.41 66.85 Favored 'General case' 0 CA--C 1.542 0.662 0 N-CA-C 113.834 1.05 . . . . 0.0 113.834 173.879 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 97.0 m-20 -66.13 -28.47 68.82 Favored 'General case' 0 N--CA 1.473 0.676 0 CA-C-N 120.008 1.276 . . . . 0.0 111.955 176.152 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 87.3 m-85 -77.07 -10.88 59.67 Favored 'General case' 0 CA--C 1.545 0.783 0 C-N-CA 124.387 1.075 . . . . 0.0 113.701 174.545 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 23.1 t -72.16 -27.12 62.39 Favored 'General case' 0 CA--C 1.546 0.805 0 C-N-CA 123.747 0.819 . . . . 0.0 112.445 171.929 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 59.0 t-20 . . . . . 0 CA--C 1.543 0.695 0 C-N-CA 126.439 1.896 . . . . 0.0 113.622 178.889 . . . . . . . . 0 0 . 1 . 013 nuclear build full ' B' B ' 1' ' ' PHE . . . . . . . . . . . . . 73.7 t80 . . . . . 0 CA--C 1.541 0.629 0 N-CA-C 112.346 0.499 . . . . 0.0 112.346 . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' B' B ' 2' ' ' VAL . . . . . . . . . . . . . 59.3 t -134.41 128.82 52.21 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.758 0 C-N-CA 125.573 1.549 . . . . 0.0 108.582 173.12 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 3' ' ' ASN . . . . . . . . . . . . . 75.5 m-20 -58.29 122.05 12.26 Favored 'General case' 0 CA--C 1.539 0.52 0 C-N-CA 123.769 0.827 . . . . 0.0 112.333 -174.593 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 4' ' ' GLN . . . . . . . . . . . . . 6.2 pt20 -161.89 145.86 12.46 Favored 'General case' 0 CA--C 1.536 0.418 0 C-N-CA 126.039 1.736 . . . . 0.0 110.267 176.186 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 5' ' ' HIS . . . . . . . . . . . . . 35.6 m-70 -65.72 140.64 58.47 Favored 'General case' 0 N--CA 1.472 0.635 0 C-N-CA 123.785 0.834 . . . . 0.0 110.222 167.427 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 40.0 mt -134.69 129.17 34.36 Favored 'General case' 0 N--CA 1.469 0.516 0 C-N-CA 124.715 1.206 . . . . 0.0 111.369 -168.993 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 7' ' ' CYS . . . . . . . . . . . . . 80.0 m -138.1 148.97 45.52 Favored 'General case' 0 CA--C 1.539 0.541 0 C-N-CA 123.656 0.783 . . . . 0.0 112.145 -167.445 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 8' ' ' GLY . . . . . . . . . . . . . . . 54.16 -130.88 44.82 Favored Glycine 0 CA--C 1.536 1.348 0 C-N-CA 123.964 0.792 . . . . 0.0 113.871 173.898 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 9' ' ' SER . . . . . . . . . . . . . 12.6 t -60.5 -35.39 75.83 Favored 'General case' 0 N--CA 1.473 0.708 0 O-C-N 121.95 -0.735 . . . . 0.0 112.832 178.226 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 10' ' ' HIS . . . . . . . . . . . . . 31.3 m170 -63.96 -33.05 74.85 Favored 'General case' 0 N--CA 1.472 0.66 0 O-C-N 121.244 -0.91 . . . . 0.0 112.616 178.652 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 52.3 tp -69.07 -41.11 78.02 Favored 'General case' 0 CA--C 1.539 0.55 0 C-N-CA 124.241 1.016 . . . . 0.0 111.993 175.031 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 59.8 t -67.11 -40.93 86.37 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.781 0 C-N-CA 124.056 0.942 . . . . 0.0 111.23 176.29 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 52.2 mt-10 -66.43 -44.12 83.77 Favored 'General case' 0 N--CA 1.469 0.501 0 O-C-N 121.417 -0.802 . . . . 0.0 112.147 173.832 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -65.85 -36.03 82.31 Favored 'General case' 0 CA--C 1.538 0.486 0 N-CA-C 113.4 0.889 . . . . 0.0 113.4 -177.006 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 15' ' ' LEU . . . . . 0.42 ' HA ' HG12 ' B' ' 18' ' ' VAL . 3.3 pp -74.47 -32.71 62.66 Favored 'General case' 0 N--CA 1.471 0.59 0 CA-C-N 119.134 0.879 . . . . 0.0 111.517 177.83 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 16' ' ' TYR . . . . . . . . . . . . . 6.6 t80 -67.17 -41.17 86.42 Favored 'General case' 0 CA--C 1.542 0.656 0 C-N-CA 124.42 1.088 . . . . 0.0 111.186 172.699 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 47.6 mt -69.94 -46.22 65.77 Favored 'General case' 0 N--CA 1.466 0.37 0 C-N-CA 124.406 1.083 . . . . 0.0 112.426 178.61 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 18' ' ' VAL . . . . . 0.42 HG12 ' HA ' ' B' ' 15' ' ' LEU . 4.8 p -70.24 -27.76 33.2 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.855 0 O-C-N 121.492 -0.755 . . . . 0.0 111.928 -177.916 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 19' ' ' CYS . . . . . . . . . . . . . 37.6 t -82.0 -48.71 11.11 Favored 'General case' 0 CA--C 1.54 0.578 0 N-CA-C 113.593 0.96 . . . . 0.0 113.593 175.564 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . -96.34 -19.83 26.9 Favored Glycine 0 CA--C 1.534 1.273 0 N-CA-C 115.631 1.012 . . . . 0.0 115.631 -171.545 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 36.2 mt-10 -140.97 36.72 1.76 Allowed 'General case' 0 N--CA 1.477 0.879 0 C-N-CA 125.16 1.384 . . . . 0.0 112.503 -168.201 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 22' ' ' ARG . . . . . . . . . . . . . 10.3 ptp180 -50.64 -28.34 8.68 Favored 'General case' 0 N--CA 1.481 1.124 0 N-CA-C 116.55 2.056 . . . . 0.0 116.55 -170.859 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . -129.24 16.06 5.76 Favored Glycine 0 N--CA 1.474 1.188 0 C-N-CA 125.021 1.296 . . . . 0.0 114.563 172.063 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 24' ' ' DHI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' B' B ' 25' ' ' PHE . . . . . . . . . . . . . 5.1 m-85 -76.64 -10.51 59.44 Favored 'General case' 0 N--CA 1.47 0.563 0 C-N-CA 126.462 1.905 . . . . 0.0 114.98 -174.374 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 26' ' ' TYR . . . . . . . . . . . . . 17.2 m-85 -125.18 163.9 21.46 Favored 'General case' 0 CA--C 1.54 0.559 0 C-N-CA 127.599 2.359 . . . . 0.0 112.78 -170.933 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 27' ' ' THR . . . . . . . . . . . . . 58.0 m -115.21 112.44 44.09 Favored Pre-proline 0 N--CA 1.476 0.861 0 C-N-CA 124.981 1.313 . . . . 0.0 110.003 176.812 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 28' ' ' PRO . . . . . . . . . . . . . 65.6 Cg_exo -60.59 151.75 73.5 Favored 'Trans proline' 0 CA--C 1.539 0.764 0 C-N-CA 123.547 2.831 . . . . 0.0 113.895 176.863 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 14.4 mmmm -132.91 153.6 51.22 Favored 'General case' 0 N--CA 1.475 0.79 0 C-N-CA 126.425 1.89 . . . . 0.0 110.937 179.573 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 30' ' ' THR . . . . . . . . . . . . . 14.7 t . . . . . 0 C--O 1.252 1.217 0 C-N-CA 126.498 1.919 . . . . 0.0 111.818 178.047 . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.632 0 N-CA-C 112.03 -0.428 . . . . 0.0 112.03 . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 9.2 tt -74.19 -34.11 36.83 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.988 0 C-N-CA 124.676 1.191 . . . . 0.0 113.491 -178.541 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 31.4 t -62.33 138.19 22.96 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.625 0 C-N-CA 124.28 1.032 . . . . 0.0 110.222 171.994 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 44.9 mt-10 58.44 13.26 2.39 Favored 'General case' 0 N--CA 1.477 0.91 0 N-CA-C 115.701 1.741 . . . . 0.0 115.701 -168.79 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 66.1 mm-40 -104.67 -58.27 1.91 Allowed 'General case' 0 N--CA 1.473 0.688 0 C-N-CA 124.337 1.055 . . . . 0.0 110.473 163.1 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 13.9 t -79.61 -12.9 59.82 Favored 'General case' 0 CA--C 1.549 0.931 0 O-C-N 121.285 -0.884 . . . . 0.0 113.36 176.625 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 5.2 t -70.74 -14.78 62.57 Favored 'General case' 0 CA--C 1.551 1.017 0 O-C-N 120.19 -1.568 . . . . 0.0 112.902 171.341 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 6.1 t -128.66 -4.48 5.27 Favored 'General case' 0 N--CA 1.481 1.104 0 C-N-CA 125.587 1.555 . . . . 0.0 114.463 -176.511 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 90.9 p -145.43 157.52 44.0 Favored 'General case' 0 N--CA 1.472 0.63 0 C-N-CA 125.775 1.63 . . . . 0.0 111.229 173.609 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 48.3 mt -72.88 137.92 22.47 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.769 0 O-C-N 120.726 -1.233 . . . . 0.0 110.995 179.825 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 30.8 p -125.91 142.65 51.42 Favored 'General case' 0 CA--C 1.543 0.687 0 C-N-CA 124.545 1.138 . . . . 0.0 111.667 166.979 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 6.9 m -95.58 159.86 14.79 Favored 'General case' 0 N--CA 1.472 0.628 0 C-N-CA 125.685 1.594 . . . . 0.0 110.956 177.768 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 2.6 pt? -58.35 -31.38 67.55 Favored 'General case' 0 CA--C 1.544 0.735 0 O-C-N 121.09 -1.006 . . . . 0.0 113.357 177.46 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 26.8 m-85 -68.1 -25.12 65.16 Favored 'General case' 0 CA--C 1.542 0.662 0 C-N-CA 124.69 1.196 . . . . 0.0 113.363 174.685 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 44.3 mt-30 -84.54 -37.86 20.73 Favored 'General case' 0 N--CA 1.469 0.477 0 C-N-CA 124.888 1.275 . . . . 0.0 111.221 175.36 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 77.4 mt -54.32 -33.48 58.98 Favored 'General case' 0 CA--C 1.545 0.766 0 C-N-CA 124.156 0.982 . . . . 0.0 112.721 174.032 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 42.3 mt-10 -60.21 -24.82 65.13 Favored 'General case' 0 N--CA 1.473 0.692 0 N-CA-C 114.163 1.172 . . . . 0.0 114.163 175.144 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 81.8 m-20 -76.2 -20.98 56.99 Favored 'General case' 0 CA--C 1.543 0.69 0 O-C-N 121.315 -0.866 . . . . 0.0 112.633 176.623 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 96.1 m-85 -94.45 -34.87 12.56 Favored 'General case' 0 CA--C 1.539 0.521 0 C-N-CA 124.789 1.236 . . . . 0.0 113.126 -178.731 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 14.9 p -70.04 -29.89 67.02 Favored 'General case' 0 CA--C 1.542 0.671 0 N-CA-C 113.841 1.052 . . . . 0.0 113.841 -174.832 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 54.8 t-20 . . . . . 0 CA--C 1.541 0.622 0 C-N-CA 125.938 1.695 . . . . 0.0 111.444 -179.134 . . . . . . . . 0 0 . 1 . 014 nuclear build full ' B' B ' 1' ' ' PHE . . . . . . . . . . . . . 34.2 t80 . . . . . 0 CA--C 1.54 0.567 0 N-CA-C 111.937 0.347 . . . . 0.0 111.937 . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' B' B ' 2' ' ' VAL . . . . . . . . . . . . . 18.0 m -135.7 135.69 50.91 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.792 0 C-N-CA 124.947 1.299 . . . . 0.0 110.224 167.561 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 3' ' ' ASN . . . . . . . . . . . . . 11.9 m-20 -61.97 140.5 58.33 Favored 'General case' 0 N--CA 1.466 0.329 0 CA-C-O 121.634 0.731 . . . . 0.0 112.559 -178.339 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 4' ' ' GLN . . . . . . . . . . . . . 6.7 pt20 -166.33 164.66 17.55 Favored 'General case' 0 CA--C 1.537 0.453 0 C-N-CA 126.05 1.74 . . . . 0.0 109.757 179.993 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 5' ' ' HIS . . . . . . . . . . . . . 24.3 m-70 -72.04 74.37 0.91 Allowed 'General case' 0 CA--C 1.546 0.813 0 C-N-CA 125.381 1.473 . . . . 0.0 110.96 168.098 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 70.9 mt -63.2 137.2 58.14 Favored 'General case' 0 N--CA 1.472 0.658 0 C-N-CA 124.344 1.058 . . . . 0.0 111.756 -179.03 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 7' ' ' CYS . . . . . . . . . . . . . 8.4 t -148.84 159.05 44.53 Favored 'General case' 0 CA--C 1.541 0.629 0 C-N-CA 123.277 0.631 . . . . 0.0 112.681 -178.437 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 8' ' ' GLY . . . . . . . . . . . . . . . 56.73 -137.37 48.61 Favored Glycine 0 CA--C 1.532 1.144 0 C-N-CA 124.455 1.026 . . . . 0.0 113.422 176.051 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 9' ' ' SER . . . . . . . . . . . . . 20.2 m -58.53 -33.17 69.57 Favored 'General case' 0 N--CA 1.471 0.602 0 C-N-CA 123.767 0.827 . . . . 0.0 113.12 178.971 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 10' ' ' HIS . . . . . . . . . . . . . 27.9 m-70 -66.78 -37.6 84.89 Favored 'General case' 0 N--CA 1.473 0.711 0 CA-C-N 118.853 0.751 . . . . 0.0 112.021 179.104 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 48.2 tp -66.0 -43.82 86.6 Favored 'General case' 0 CA--C 1.537 0.463 0 C-N-CA 124.176 0.99 . . . . 0.0 112.085 175.468 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 92.2 t -67.71 -44.37 85.93 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.704 0 C-N-CA 123.848 0.859 . . . . 0.0 111.074 178.455 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 39.1 mt-10 -65.34 -39.73 92.75 Favored 'General case' 0 N--CA 1.468 0.459 0 O-C-N 121.61 -0.681 . . . . 0.0 112.152 176.881 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -63.67 -39.61 94.76 Favored 'General case' 0 CA--C 1.542 0.638 0 CA-C-N 119.169 0.895 . . . . 0.0 113.006 -179.358 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 15' ' ' LEU . . . . . 0.432 ' HA ' HG12 ' B' ' 18' ' ' VAL . 3.7 pp -79.17 -31.57 43.96 Favored 'General case' 0 N--CA 1.469 0.523 0 O-C-N 121.761 -0.587 . . . . 0.0 111.908 179.163 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 16' ' ' TYR . . . . . . . . . . . . . 4.6 t80 -63.11 -39.65 95.33 Favored 'General case' 0 CA--C 1.538 0.487 0 C-N-CA 123.91 0.884 . . . . 0.0 111.556 170.146 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 36.9 mt -70.9 -51.18 27.72 Favored 'General case' 0 N--CA 1.465 0.287 0 C-N-CA 123.63 0.772 . . . . 0.0 111.9 179.961 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 18' ' ' VAL . . . . . 0.432 HG12 ' HA ' ' B' ' 15' ' ' LEU . 9.1 p -65.2 -31.89 55.86 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.798 0 N-CA-C 112.152 0.427 . . . . 0.0 112.152 -174.492 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 19' ' ' CYS . . . . . . . . . . . . . 73.8 m -92.33 -26.15 18.23 Favored 'General case' 0 CA--C 1.543 0.699 0 N-CA-C 114.115 1.154 . . . . 0.0 114.115 178.616 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . -83.12 -22.87 56.52 Favored Glycine 0 CA--C 1.537 1.431 0 C-N-CA 124.774 1.178 . . . . 0.0 114.84 178.778 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 37.6 tt0 -67.87 144.05 55.45 Favored 'General case' 0 CA--C 1.547 0.827 0 CA-C-N 118.63 1.215 . . . . 0.0 112.404 177.611 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 22' ' ' ARG . . . . . . . . . . . . . 12.2 ptp85 -70.59 -9.73 57.59 Favored 'General case' 0 N--CA 1.48 1.067 0 N-CA-C 115.803 1.779 . . . . 0.0 115.803 -176.642 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . -72.63 -157.37 3.67 Favored Glycine 0 CA--C 1.539 1.589 0 C-N-CA 125.929 1.728 . . . . 0.0 114.991 179.769 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 24' ' ' DHI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' B' B ' 25' ' ' PHE . . . . . . . . . . . . . 47.3 m-85 -70.22 159.12 34.58 Favored 'General case' 0 CA--C 1.542 0.637 0 C-N-CA 125.004 1.322 . . . . 0.0 113.268 -177.305 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 26' ' ' TYR . . . . . . . . . . . . . 72.2 m-85 -66.64 152.57 45.1 Favored 'General case' 0 CA--C 1.54 0.596 0 C-N-CA 124.179 0.992 . . . . 0.0 113.253 177.079 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 27' ' ' THR . . . . . . . . . . . . . 9.8 t -153.56 137.3 10.47 Favored Pre-proline 0 N--CA 1.472 0.674 0 C-N-CA 125.072 1.349 . . . . 0.0 111.012 168.728 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 28' ' ' PRO . . . . . . . . . . . . . 77.9 Cg_endo -74.75 148.15 91.08 Favored 'Cis proline' 0 CA--C 1.543 0.929 0 C-N-CA 129.237 0.932 . . . . 0.0 112.333 -1.524 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 74.8 mmtt 59.09 165.17 0.05 OUTLIER 'General case' 0 N--CA 1.479 0.976 0 C-N-CA 127.467 2.307 . . . . 0.0 114.968 -175.597 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 30' ' ' THR . . . . . . . . . . . . . 23.2 p . . . . . 0 C--O 1.254 1.305 0 C-N-CA 126.857 2.063 . . . . 0.0 112.347 -178.673 . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.679 0 N-CA-C 111.861 -0.496 . . . . 0.0 111.861 . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 2' ' ' ILE . . . . . 0.472 HD13 ' CE2' ' A' ' 19' ' ' TYR . 6.0 tp -71.08 -34.58 55.58 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.066 0 C-N-CA 124.806 1.242 . . . . 0.0 112.886 -179.487 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 24.6 t -66.54 138.92 22.03 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.734 0 C-N-CA 124.163 0.985 . . . . 0.0 110.582 173.647 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 44.6 mt-10 56.2 24.17 7.81 Favored 'General case' 0 N--CA 1.477 0.883 0 C-N-CA 125.669 1.588 . . . . 0.0 114.669 -169.15 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 21.9 mm-40 -116.21 -57.9 2.16 Favored 'General case' 0 N--CA 1.471 0.588 0 C-N-CA 124.499 1.119 . . . . 0.0 110.635 162.682 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 14.7 t -79.76 -10.36 59.78 Favored 'General case' 0 CA--C 1.549 0.911 0 N-CA-C 113.789 1.033 . . . . 0.0 113.789 179.368 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 21.5 t -83.47 -7.59 59.52 Favored 'General case' 0 CA--C 1.551 0.992 0 O-C-N 120.772 -1.205 . . . . 0.0 113.136 171.703 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 8.2 t -123.59 -17.72 6.36 Favored 'General case' 0 N--CA 1.483 1.176 0 C-N-CA 124.982 1.313 . . . . 0.0 114.346 176.561 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 71.1 m -134.98 156.98 48.09 Favored 'General case' 0 N--CA 1.473 0.707 0 C-N-CA 126.259 1.824 . . . . 0.0 110.741 174.195 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 67.1 mt -69.01 141.7 17.08 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.881 0 O-C-N 120.918 -1.114 . . . . 0.0 110.631 176.457 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 19.5 p -131.66 151.71 51.41 Favored 'General case' 0 CA--C 1.542 0.654 0 C-N-CA 124.051 0.94 . . . . 0.0 112.704 168.891 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 70.5 m -107.72 166.81 10.41 Favored 'General case' 0 N--CA 1.474 0.725 0 C-N-CA 126.064 1.746 . . . . 0.0 112.753 178.835 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 92.7 mt -47.06 -45.6 21.85 Favored 'General case' 0 N--CA 1.474 0.754 0 C-N-CA 125.883 1.673 . . . . 0.0 112.078 176.96 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 39.8 m-85 -67.78 -29.65 68.89 Favored 'General case' 0 CA--C 1.538 0.505 0 C-N-CA 124.834 1.254 . . . . 0.0 112.818 -176.494 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 46.5 mt-30 -77.01 -42.26 39.38 Favored 'General case' 0 N--CA 1.464 0.235 0 C-N-CA 123.767 0.827 . . . . 0.0 110.596 176.814 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 85.6 mt -57.98 -39.91 79.38 Favored 'General case' 0 CA--C 1.542 0.642 0 C-N-CA 123.534 0.734 . . . . 0.0 112.009 174.389 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 44.1 mt-10 -61.61 -28.01 69.06 Favored 'General case' 0 N--CA 1.473 0.697 0 N-CA-C 113.702 1.001 . . . . 0.0 113.702 174.042 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 13.5 m-80 -73.1 -22.89 60.48 Favored 'General case' 0 CA--C 1.543 0.697 0 CA-C-N 119.328 0.967 . . . . 0.0 112.941 175.279 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 19' ' ' TYR . . . . . 0.472 ' CE2' HD13 ' A' ' 2' ' ' ILE . 98.5 m-85 -79.75 -34.27 40.01 Favored 'General case' 0 N--CA 1.473 0.69 0 CA-C-N 119.114 0.87 . . . . 0.0 111.983 169.784 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 85.5 m -69.38 -35.95 76.32 Favored 'General case' 0 CA--C 1.543 0.685 0 C-N-CA 123.791 0.836 . . . . 0.0 112.677 174.218 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 47.9 t30 . . . . . 0 CA--C 1.547 0.833 0 C-N-CA 127.474 2.309 . . . . 0.0 113.859 175.848 . . . . . . . . 0 0 . 1 . 015 nuclear build full ' B' B ' 1' ' ' PHE . . . . . . . . . . . . . 21.7 t80 . . . . . 0 CA--C 1.538 0.493 0 CA-C-O 120.777 0.322 . . . . 0.0 111.865 . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' B' B ' 2' ' ' VAL . . . . . . . . . . . . . 25.1 m -136.7 144.44 32.5 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.818 0 C-N-CA 125.22 1.408 . . . . 0.0 109.85 166.64 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 3' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -49.8 125.41 11.69 Favored 'General case' 0 N--CA 1.47 0.564 0 C-N-CA 123.694 0.798 . . . . 0.0 113.008 177.592 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 4' ' ' GLN . . . . . . . . . . . . . 7.2 pt20 -162.39 152.62 16.67 Favored 'General case' 0 CA--C 1.534 0.364 0 C-N-CA 125.184 1.394 . . . . 0.0 110.286 177.956 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 5' ' ' HIS . . . . . . . . . . . . . 28.5 m-70 -67.68 143.73 55.82 Favored 'General case' 0 CA--C 1.541 0.63 0 C-N-CA 124.103 0.961 . . . . 0.0 109.819 161.072 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 66.5 mt -136.65 135.93 38.7 Favored 'General case' 0 N--CA 1.471 0.61 0 C-N-CA 125.251 1.42 . . . . 0.0 110.835 -175.54 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 7' ' ' CYS . . . . . . . . . . . . . 79.6 m -136.77 152.89 50.82 Favored 'General case' 0 CA--C 1.54 0.578 0 C-N-CA 124.595 1.158 . . . . 0.0 111.89 -172.302 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 8' ' ' GLY . . . . . . . . . . . . . . . 51.89 -129.05 34.47 Favored Glycine 0 CA--C 1.536 1.356 0 C-N-CA 124.101 0.858 . . . . 0.0 114.218 170.09 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 9' ' ' SER . . . . . . . . . . . . . 8.0 t -58.83 -39.88 82.51 Favored 'General case' 0 N--CA 1.472 0.657 0 C-N-CA 123.465 0.706 . . . . 0.0 112.425 178.493 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 10' ' ' HIS . . . . . . . . . . . . . 32.5 m170 -61.17 -35.51 77.33 Favored 'General case' 0 N--CA 1.473 0.713 0 O-C-N 121.4 -0.813 . . . . 0.0 112.529 178.944 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 40.3 tp -70.71 -43.45 68.96 Favored 'General case' 0 CA--C 1.537 0.454 0 C-N-CA 124.004 0.922 . . . . 0.0 112.243 176.857 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 85.0 t -65.19 -43.65 95.44 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.727 0 C-N-CA 123.695 0.798 . . . . 0.0 110.874 176.018 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 33.4 mt-10 -64.35 -41.72 96.6 Favored 'General case' 0 N--CA 1.47 0.535 0 C-N-CA 124.309 1.044 . . . . 0.0 112.055 177.856 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -62.79 -39.84 95.49 Favored 'General case' 0 CA--C 1.541 0.617 0 O-C-N 121.559 -0.713 . . . . 0.0 112.76 179.199 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 15' ' ' LEU . . . . . 0.404 ' HA ' HG12 ' B' ' 18' ' ' VAL . 3.9 pp -79.63 -34.33 40.64 Favored 'General case' 0 N--CA 1.468 0.463 0 CA-C-N 118.267 0.485 . . . . 0.0 111.602 179.08 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 16' ' ' TYR . . . . . . . . . . . . . 4.8 t80 -58.56 -39.01 79.05 Favored 'General case' 0 CA--C 1.54 0.578 0 C-N-CA 123.999 0.92 . . . . 0.0 111.966 171.428 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 36.5 mt -70.85 -50.08 39.18 Favored 'General case' 0 N--CA 1.465 0.319 0 C-N-CA 123.33 0.652 . . . . 0.0 112.3 -178.819 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 18' ' ' VAL . . . . . 0.404 HG12 ' HA ' ' B' ' 15' ' ' LEU . 10.5 p -71.39 -32.99 48.48 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.66 0 C-N-CA 123.254 0.621 . . . . 0.0 112.507 -176.156 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 19' ' ' CYS . . . . . . . . . . . . . 81.6 m -90.77 -26.26 19.56 Favored 'General case' 0 CA--C 1.543 0.69 0 N-CA-C 113.346 0.869 . . . . 0.0 113.346 -178.53 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . -82.97 -1.64 90.65 Favored Glycine 0 CA--C 1.537 1.42 0 C-N-CA 125.281 1.419 . . . . 0.0 114.876 174.668 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 8.9 tp10 -59.02 146.72 37.26 Favored 'General case' 0 CA--C 1.547 0.83 0 CA-C-N 118.842 1.321 . . . . 0.0 113.061 -177.751 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 22' ' ' ARG . . . . . . . . . . . . . 6.9 mmp_? -79.65 46.17 0.74 Allowed 'General case' 0 N--CA 1.477 0.909 0 C-N-CA 127.031 2.132 . . . . 0.0 113.23 -176.83 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . -75.36 29.29 1.2 Allowed Glycine 0 CA--C 1.539 1.563 0 C-N-CA 126.761 2.124 . . . . 0.0 115.804 -177.099 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 24' ' ' DHI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' B' B ' 25' ' ' PHE . . . . . . . . . . . . . 73.2 m-85 -93.02 133.22 36.38 Favored 'General case' 0 CA--C 1.539 0.52 0 C-N-CA 125.75 1.62 . . . . 0.0 111.83 -172.248 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 26' ' ' TYR . . . . . . . . . . . . . 75.6 m-85 -87.98 140.21 29.72 Favored 'General case' 0 CA--C 1.538 0.519 0 C-N-CA 124.224 1.01 . . . . 0.0 111.65 178.654 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 27' ' ' THR . . . . . . . . . . . . . 70.6 p 39.02 54.47 4.92 Favored Pre-proline 0 N--CA 1.478 0.957 0 C-N-CA 126.893 2.077 . . . . 0.0 115.409 178.452 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 28' ' ' PRO . . . . . . . . . . . . . 88.0 Cg_endo -67.7 155.04 71.62 Favored 'Trans proline' 0 CA--C 1.541 0.841 0 C-N-CA 123.377 2.718 . . . . 0.0 112.883 -177.027 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 68.3 mttm -137.24 154.62 50.11 Favored 'General case' 0 N--CA 1.475 0.776 0 C-N-CA 126.281 1.832 . . . . 0.0 111.188 179.744 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 30' ' ' THR . . . . . . . . . . . . . 24.1 p . . . . . 0 C--O 1.251 1.161 0 C-N-CA 126.598 1.959 . . . . 0.0 112.426 -178.645 . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.479 1.525 0 N-CA-C 111.184 -0.766 . . . . 0.0 111.184 . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 10.2 tt -46.09 -53.18 2.6 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.911 0 C-N-CA 126.146 1.778 . . . . 0.0 115.268 -168.11 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 7.1 p -71.04 -39.82 75.14 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.958 0 CA-C-N 119.092 0.86 . . . . 0.0 112.67 -174.953 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 47.3 mt-10 -76.83 -6.7 53.4 Favored 'General case' 0 N--CA 1.474 0.758 0 N-CA-C 113.734 1.012 . . . . 0.0 113.734 176.174 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 40.7 mt-30 -90.24 -57.31 2.89 Favored 'General case' 0 CA--C 1.538 0.486 0 C-N-CA 124.492 1.117 . . . . 0.0 110.527 164.013 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 76.4 m -110.54 36.1 3.22 Favored 'General case' 0 CA--C 1.545 0.771 0 N-CA-C 114.66 1.355 . . . . 0.0 114.66 -168.22 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 45.0 t -110.82 -18.36 13.13 Favored 'General case' 0 CA--C 1.552 1.049 0 O-C-N 121.323 -0.861 . . . . 0.0 112.904 146.085 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 6.2 t -114.4 -21.68 10.25 Favored 'General case' 0 N--CA 1.483 1.206 0 N-CA-C 114.837 1.421 . . . . 0.0 114.837 -171.242 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 58.2 m -131.11 162.16 30.5 Favored 'General case' 0 N--CA 1.475 0.788 0 C-N-CA 125.652 1.581 . . . . 0.0 111.69 175.832 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 14.0 mt -61.56 130.0 25.2 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.711 0 C-N-CA 123.759 0.823 . . . . 0.0 111.268 176.061 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -90.74 165.65 13.56 Favored 'General case' 0 CA--C 1.539 0.522 0 C-N-CA 124.98 1.312 . . . . 0.0 111.506 173.365 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 76.5 p -126.15 162.42 25.42 Favored 'General case' 0 N--CA 1.469 0.503 0 C-N-CA 124.331 1.053 . . . . 0.0 111.839 168.077 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 1.7 pt? -53.63 -32.42 51.27 Favored 'General case' 0 CA--C 1.534 0.332 0 C-N-CA 123.071 0.548 . . . . 0.0 112.423 165.476 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 28.2 m-85 -69.5 -39.55 77.53 Favored 'General case' 0 CA--C 1.537 0.453 0 C-N-CA 122.943 0.497 . . . . 0.0 111.522 178.639 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 40.5 mt-30 -67.2 -45.29 77.31 Favored 'General case' 0 N--CA 1.47 0.538 0 O-C-N 121.361 -0.837 . . . . 0.0 110.873 173.995 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 74.8 mt -60.74 -36.97 80.21 Favored 'General case' 0 CA--C 1.543 0.7 0 C-N-CA 123.762 0.825 . . . . 0.0 112.278 177.418 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 30.5 mt-10 -65.68 -37.46 86.57 Favored 'General case' 0 CA--C 1.543 0.694 0 C-N-CA 124.219 1.008 . . . . 0.0 112.656 173.054 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 20.6 m-80 -66.08 -36.4 83.09 Favored 'General case' 0 CA--C 1.54 0.587 0 O-C-N 121.233 -0.917 . . . . 0.0 111.995 172.452 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 20.8 m-85 -72.73 -40.21 66.27 Favored 'General case' 0 CA--C 1.538 0.481 0 N-CA-C 112.807 0.669 . . . . 0.0 112.807 179.473 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 13.6 p -74.21 -38.28 63.63 Favored 'General case' 0 CA--C 1.543 0.68 0 N-CA-C 112.789 0.662 . . . . 0.0 112.789 -177.343 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 49.6 t30 . . . . . 0 CA--C 1.549 0.915 0 C-N-CA 127.34 2.256 . . . . 0.0 113.504 178.468 . . . . . . . . 0 0 . 1 . 016 nuclear build full ' B' B ' 1' ' ' PHE . . . . . . . . . . . . . 64.5 t80 . . . . . 0 CA--C 1.541 0.632 0 N-CA-C 112.368 0.507 . . . . 0.0 112.368 . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' B' B ' 2' ' ' VAL . . . . . . . . . . . . . 21.1 m -134.83 139.24 47.86 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.741 0 C-N-CA 125.137 1.375 . . . . 0.0 110.383 167.411 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 3' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -51.06 130.45 25.89 Favored 'General case' 0 N--CA 1.47 0.561 0 C-N-CA 124.326 1.051 . . . . 0.0 113.783 -179.628 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 4' ' ' GLN . . . . . . . . . . . . . 8.3 pt20 -162.41 151.08 14.87 Favored 'General case' 0 CA--C 1.537 0.473 0 C-N-CA 125.298 1.439 . . . . 0.0 110.991 178.637 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 5' ' ' HIS . . . . . . . . . . . . . 48.6 m-70 -66.17 -38.7 88.7 Favored 'General case' 0 N--CA 1.476 0.872 0 N-CA-C 114.807 1.41 . . . . 0.0 114.807 -178.372 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 41.0 mt 56.29 179.62 0.04 OUTLIER 'General case' 0 CA--C 1.553 1.068 0 C-N-CA 126.028 1.731 . . . . 0.0 112.662 -167.009 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 7' ' ' CYS . . . . . . . . . . . . . 12.9 t -162.53 -179.63 7.06 Favored 'General case' 0 CA--C 1.549 0.908 0 C-N-CA 126.401 1.881 . . . . 0.0 109.189 160.851 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 8' ' ' GLY . . . . . . . . . . . . . . . -48.61 147.5 5.14 Favored Glycine 0 CA--C 1.531 1.055 0 C-N-CA 125.149 1.357 . . . . 0.0 116.222 -177.204 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 9' ' ' SER . . . . . . . . . . . . . 52.8 p 59.03 -35.86 0.06 Allowed 'General case' 0 N--CA 1.479 0.986 0 C-N-CA 128.853 2.861 . . . . 0.0 115.464 -165.803 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 10' ' ' HIS . . . . . . . . . . . . . 26.9 m-70 -73.5 -36.88 65.82 Favored 'General case' 0 N--CA 1.479 0.987 0 O-C-N 121.223 -0.923 . . . . 0.0 110.921 174.387 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 48.3 tp -63.72 -34.62 78.28 Favored 'General case' 0 CA--C 1.542 0.64 0 C-N-CA 127.769 2.428 . . . . 0.0 112.459 171.525 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 40.9 t -72.43 -38.61 61.01 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.859 0 C-N-CA 124.021 0.928 . . . . 0.0 110.843 175.574 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 43.4 mt-10 -66.53 -40.55 89.17 Favored 'General case' 0 CA--C 1.539 0.553 0 O-C-N 121.317 -0.864 . . . . 0.0 112.022 170.226 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -61.19 -40.67 94.81 Favored 'General case' 0 CA--C 1.542 0.656 0 O-C-N 121.281 -0.887 . . . . 0.0 113.011 -179.627 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 3.9 pp -75.4 -34.5 61.08 Favored 'General case' 0 N--CA 1.47 0.544 0 O-C-N 121.709 -0.62 . . . . 0.0 112.064 177.795 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 16' ' ' TYR . . . . . . . . . . . . . 1.0 OUTLIER -61.96 -40.51 95.83 Favored 'General case' 0 CA--C 1.54 0.571 0 C-N-CA 123.414 0.686 . . . . 0.0 111.414 171.792 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 38.2 mt -70.31 -46.17 64.77 Favored 'General case' 0 CA--C 1.533 0.294 0 C-N-CA 123.874 0.87 . . . . 0.0 112.587 -178.445 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 18' ' ' VAL . . . . . . . . . . . . . 9.7 p -74.59 -27.37 20.87 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.745 0 N-CA-C 112.865 0.691 . . . . 0.0 112.865 -175.423 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 19' ' ' CYS . . . . . . . . . . . . . 78.8 m -99.29 -27.13 13.92 Favored 'General case' 0 CA--C 1.541 0.605 0 N-CA-C 114.651 1.352 . . . . 0.0 114.651 -179.807 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . 75.35 -1.71 55.51 Favored Glycine 0 CA--C 1.538 1.497 0 C-N-CA 124.888 1.233 . . . . 0.0 114.724 -170.197 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 37.6 mt-10 -81.28 127.04 32.28 Favored 'General case' 0 N--CA 1.471 0.605 0 CA-C-N 118.841 1.32 . . . . 0.0 110.938 -179.679 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 22' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -128.69 13.51 6.41 Favored 'General case' 0 N--CA 1.478 0.931 0 N-CA-C 115.443 1.646 . . . . 0.0 115.443 -163.898 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . -157.73 -168.11 19.66 Favored Glycine 0 CA--C 1.533 1.19 0 C-N-CA 125.088 1.328 . . . . 0.0 113.548 -175.294 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 24' ' ' DHI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' B' B ' 25' ' ' PHE . . . . . . . . . . . . . 61.0 m-85 -69.89 159.71 33.18 Favored 'General case' 0 CA--C 1.542 0.663 0 C-N-CA 125.047 1.339 . . . . 0.0 112.903 178.796 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 26' ' ' TYR . . . . . . . . . . . . . 65.6 m-85 -68.62 164.16 22.09 Favored 'General case' 0 CA--C 1.543 0.689 0 C-N-CA 124.189 0.996 . . . . 0.0 112.194 171.759 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 27' ' ' THR . . . . . . . . . . . . . 22.8 m -54.58 -49.39 91.39 Favored Pre-proline 0 N--CA 1.479 0.993 0 C-N-CA 124.305 1.042 . . . . 0.0 113.346 177.706 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 28' ' ' PRO . . . . . . . . . . . . . 72.6 Cg_endo -71.37 121.36 7.69 Favored 'Trans proline' 0 CA--C 1.541 0.848 0 C-N-CA 122.688 2.259 . . . . 0.0 110.974 165.852 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 23.4 tptm -150.15 -46.98 0.13 Allowed 'General case' 0 N--CA 1.48 1.037 0 C-N-CA 125.216 1.406 . . . . 0.0 111.961 177.121 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 30' ' ' THR . . . . . . . . . . . . . 7.1 m . . . . . 0 C--O 1.254 1.298 0 C-N-CA 127.726 2.41 . . . . 0.0 113.572 173.534 . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.644 0 N-CA-C 111.779 -0.528 . . . . 0.0 111.779 . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 15.9 tt -78.67 -36.86 20.07 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.988 0 C-N-CA 124.777 1.231 . . . . 0.0 112.875 -179.098 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 42.4 t -67.25 146.78 12.92 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.7 0 C-N-CA 124.299 1.04 . . . . 0.0 109.727 164.097 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 43.9 mt-10 61.37 7.15 1.62 Allowed 'General case' 0 N--CA 1.482 1.134 0 C-N-CA 125.91 1.684 . . . . 0.0 115.478 -164.986 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 1.7 mp0 -113.74 -42.93 3.35 Favored 'General case' 0 N--CA 1.475 0.784 0 C-N-CA 125.365 1.466 . . . . 0.0 112.293 167.817 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 75.7 m -98.92 -24.9 14.78 Favored 'General case' 0 N--CA 1.476 0.845 0 N-CA-C 113.64 0.978 . . . . 0.0 113.64 177.256 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 65.3 m -71.05 -5.67 33.13 Favored 'General case' 0 CA--C 1.55 0.95 0 O-C-N 121.128 -0.982 . . . . 0.0 113.007 173.682 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 45.3 p -133.05 -26.54 1.71 Allowed 'General case' 0 N--CA 1.476 0.856 0 C-N-CA 126.693 1.997 . . . . 0.0 113.351 -160.787 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 66.0 m -139.3 156.71 46.85 Favored 'General case' 0 N--CA 1.47 0.566 0 C-N-CA 127.769 2.428 . . . . 0.0 109.409 170.789 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 11.7 mt -64.05 140.54 19.51 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.791 0 O-C-N 121.15 -0.969 . . . . 0.0 111.297 179.751 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 61.8 m -121.16 104.76 10.0 Favored 'General case' 0 CA--C 1.538 0.509 0 C-N-CA 124.771 1.229 . . . . 0.0 111.413 172.885 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 49.6 m -75.36 169.52 17.9 Favored 'General case' 0 N--CA 1.473 0.703 0 C-N-CA 125.507 1.523 . . . . 0.0 111.891 171.698 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 88.8 mt -46.59 -46.06 19.33 Favored 'General case' 0 N--CA 1.474 0.74 0 C-N-CA 124.563 1.145 . . . . 0.0 111.589 173.989 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 54.9 m-85 -67.39 -21.35 65.6 Favored 'General case' 0 CA--C 1.541 0.623 0 C-N-CA 125.19 1.396 . . . . 0.0 114.183 -176.985 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 42.9 mt-30 -87.73 -46.95 9.03 Favored 'General case' 0 N--CA 1.469 0.512 0 C-N-CA 125.277 1.431 . . . . 0.0 110.524 173.617 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 96.2 mt -60.16 -29.68 68.82 Favored 'General case' 0 CA--C 1.546 0.809 0 C-N-CA 124.792 1.237 . . . . 0.0 113.08 176.605 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 26.1 mt-10 -54.87 -31.89 60.17 Favored 'General case' 0 N--CA 1.474 0.754 0 C-N-CA 125.0 1.32 . . . . 0.0 114.024 171.559 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 51.4 m-80 -69.6 -30.89 68.75 Favored 'General case' 0 N--CA 1.472 0.672 0 CA-C-N 119.487 1.039 . . . . 0.0 111.944 178.547 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 74.8 m-85 -81.46 -25.9 35.7 Favored 'General case' 0 CA--C 1.541 0.612 0 C-N-CA 124.01 0.924 . . . . 0.0 112.559 175.537 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 39.0 t -67.72 -45.68 74.37 Favored 'General case' 0 CA--C 1.543 0.702 0 C-N-CA 123.874 0.87 . . . . 0.0 111.733 166.414 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 50.7 t-20 . . . . . 0 CA--C 1.542 0.639 0 C-N-CA 125.262 1.425 . . . . 0.0 111.409 178.903 . . . . . . . . 0 0 . 1 . 017 nuclear build full ' B' B ' 1' ' ' PHE . . . . . . . . . . . . . 36.1 t80 . . . . . 0 CA--C 1.54 0.559 0 CA-C-O 121.125 0.488 . . . . 0.0 112.263 . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' B' B ' 2' ' ' VAL . . . . . . . . . . . . . 59.8 t -132.95 123.02 47.6 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.659 0 C-N-CA 125.854 1.661 . . . . 0.0 107.286 165.787 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 3' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -67.68 153.7 43.13 Favored 'General case' 0 CA--C 1.539 0.544 0 N-CA-C 114.761 1.393 . . . . 0.0 114.761 -172.303 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 4' ' ' GLN . . . . . . . . . . . . . 10.3 pt20 -154.44 -157.56 0.77 Allowed 'General case' 0 CA--C 1.542 0.649 0 C-N-CA 128.806 2.842 . . . . 0.0 106.102 166.83 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 5' ' ' HIS . . . . . . . . . . . . . 22.1 m-70 -81.48 74.56 8.47 Favored 'General case' 0 C--N 1.32 -0.679 0 C-N-CA 125.686 1.595 . . . . 0.0 110.679 175.743 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -65.87 139.31 58.28 Favored 'General case' 0 N--CA 1.472 0.666 0 O-C-N 121.61 -0.681 . . . . 0.0 112.085 -172.017 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 7' ' ' CYS . . . . . . . . . . . . . 2.5 t -147.34 152.05 37.57 Favored 'General case' 0 CA--C 1.54 0.596 0 C-N-CA 123.596 0.758 . . . . 0.0 111.771 177.534 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 8' ' ' GLY . . . . . . . . . . . . . . . 55.11 -129.51 45.9 Favored Glycine 0 CA--C 1.535 1.296 0 C-N-CA 123.925 0.774 . . . . 0.0 113.339 -179.388 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 9' ' ' SER . . . . . . . . . . . . . 18.4 m -56.93 -37.49 71.56 Favored 'General case' 0 N--CA 1.472 0.643 0 C-N-CA 124.759 1.224 . . . . 0.0 113.419 178.49 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 10' ' ' HIS . . . . . . . . . . . . . 28.0 m80 -66.55 -30.34 70.62 Favored 'General case' 0 N--CA 1.471 0.589 0 O-C-N 121.121 -0.987 . . . . 0.0 112.136 177.111 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -72.23 -50.59 26.17 Favored 'General case' 0 CA--C 1.536 0.404 0 C-N-CA 124.331 1.052 . . . . 0.0 111.201 174.631 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 1.3 p -67.06 -36.81 77.99 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.647 0 N-CA-C 112.187 0.44 . . . . 0.0 112.187 -175.011 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 40.9 mt-10 -68.75 -40.84 79.59 Favored 'General case' 0 CA--C 1.538 0.515 0 O-C-N 121.603 -0.686 . . . . 0.0 112.289 173.546 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -64.71 -38.72 91.95 Favored 'General case' 0 CA--C 1.54 0.594 0 O-C-N 121.267 -0.896 . . . . 0.0 112.719 179.044 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 2.1 pp -76.17 -34.25 59.35 Favored 'General case' 0 N--CA 1.469 0.479 0 O-C-N 121.734 -0.604 . . . . 0.0 111.237 177.455 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 16' ' ' TYR . . . . . . . . . . . . . 2.2 t80 -60.14 -39.4 86.17 Favored 'General case' 0 CA--C 1.54 0.585 0 C-N-CA 123.656 0.782 . . . . 0.0 111.926 172.399 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 34.1 mt -67.05 -47.2 72.07 Favored 'General case' 0 N--CA 1.465 0.32 0 C-N-CA 123.356 0.662 . . . . 0.0 111.447 -178.038 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 18' ' ' VAL . . . . . . . . . . . . . 7.9 p -72.88 -31.63 36.83 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.605 0 N-CA-C 112.672 0.619 . . . . 0.0 112.672 178.79 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 19' ' ' CYS . . . . . . . . . . . . . 4.2 t -76.51 -25.77 54.53 Favored 'General case' 0 CA--C 1.544 0.734 0 O-C-N 121.647 -0.658 . . . . 0.0 112.687 177.809 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . -75.94 -10.31 85.11 Favored Glycine 0 CA--C 1.541 1.682 0 C-N-CA 124.93 1.252 . . . . 0.0 114.358 165.108 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 21' ' ' GLU . . . . . 0.431 ' HG2' ' H ' ' B' ' 22' ' ' ARG . 9.6 tt0 -99.68 -150.77 0.38 Allowed 'General case' 0 CA--C 1.555 1.144 0 C-N-CA 126.129 1.772 . . . . 0.0 110.453 173.76 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 22' ' ' ARG . . . . . 0.431 ' H ' ' HG2' ' B' ' 21' ' ' GLU . 12.2 mmt180 48.37 34.85 5.0 Favored 'General case' 0 CA--C 1.544 0.724 0 C-N-CA 127.605 2.362 . . . . 0.0 115.776 173.953 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . -74.32 -168.1 18.45 Favored Glycine 0 CA--C 1.536 1.366 0 C-N-CA 125.071 1.32 . . . . 0.0 113.801 176.139 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 24' ' ' DHI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' B' B ' 25' ' ' PHE . . . . . . . . . . . . . 13.7 m-85 -74.88 -13.7 60.58 Favored 'General case' 0 N--CA 1.469 0.507 0 C-N-CA 126.735 2.014 . . . . 0.0 114.996 -178.772 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 26' ' ' TYR . . . . . . . . . . . . . 69.2 m-85 -105.26 137.28 43.31 Favored 'General case' 0 C--N 1.323 -0.568 0 C-N-CA 127.462 2.305 . . . . 0.0 112.068 -176.714 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 27' ' ' THR . . . . . . . . . . . . . 51.6 m -138.2 110.27 8.36 Favored Pre-proline 0 N--CA 1.476 0.838 0 C-N-CA 124.914 1.286 . . . . 0.0 109.856 178.584 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 28' ' ' PRO . . . . . . . . . . . . . 71.7 Cg_endo -72.83 154.03 53.55 Favored 'Trans proline' 0 CA--C 1.54 0.777 0 C-N-CA 123.076 2.518 . . . . 0.0 112.353 177.179 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 1.2 tmmt? -148.84 -47.48 0.15 Allowed 'General case' 0 CA--C 1.544 0.75 0 C-N-CA 126.472 1.909 . . . . 0.0 112.362 176.939 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 30' ' ' THR . . . . . . . . . . . . . 56.1 m . . . . . 0 N--CA 1.484 1.265 0 C-N-CA 130.812 3.645 . . . . 0.0 109.713 -9.009 . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.603 0 CA-C-O 121.07 0.261 . . . . 0.0 112.646 . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 15.2 tt -74.52 -45.71 44.86 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.869 0 C-N-CA 125.431 1.492 . . . . 0.0 114.145 -176.182 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 8.3 p -62.6 -44.94 99.83 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.955 0 O-C-N 121.422 -0.799 . . . . 0.0 112.485 -168.419 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 12.3 pt-20 -69.38 -17.59 63.69 Favored 'General case' 0 CA--C 1.548 0.873 0 N-CA-C 113.776 1.028 . . . . 0.0 113.776 176.357 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -88.86 -29.0 19.99 Favored 'General case' 0 N--CA 1.47 0.543 0 C-N-CA 125.181 1.393 . . . . 0.0 113.002 176.828 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 95.0 m -113.65 -30.55 6.77 Favored 'General case' 0 CA--C 1.543 0.688 0 N-CA-C 114.726 1.38 . . . . 0.0 114.726 -172.819 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 14.9 t -82.61 -27.78 31.23 Favored 'General case' 0 N--CA 1.474 0.759 0 CA-C-N 119.663 1.119 . . . . 0.0 113.182 -169.291 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 6.6 t -109.25 -14.6 14.45 Favored 'General case' 0 N--CA 1.48 1.065 0 C-N-CA 125.404 1.482 . . . . 0.0 113.874 -177.679 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 61.3 p -149.78 165.52 32.22 Favored 'General case' 0 N--CA 1.471 0.579 0 C-N-CA 126.173 1.789 . . . . 0.0 111.385 179.54 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 35.7 mt -66.69 137.65 24.44 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.819 0 O-C-N 121.357 -0.839 . . . . 0.0 111.401 -178.061 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 14.6 p -130.58 156.89 44.09 Favored 'General case' 0 CA--C 1.542 0.653 0 C-N-CA 124.327 1.051 . . . . 0.0 112.345 169.881 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 66.1 m -118.84 164.86 14.78 Favored 'General case' 0 N--CA 1.475 0.814 0 C-N-CA 124.664 1.186 . . . . 0.0 113.912 -164.231 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 81.1 mt -51.31 -40.29 58.69 Favored 'General case' 0 N--CA 1.474 0.765 0 C-N-CA 125.752 1.621 . . . . 0.0 112.709 -178.78 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 53.5 m-85 -63.1 -31.32 72.44 Favored 'General case' 0 CA--C 1.54 0.587 0 C-N-CA 124.235 1.014 . . . . 0.0 112.994 179.961 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 39.8 mt-30 -80.36 -43.57 20.89 Favored 'General case' 0 N--CA 1.468 0.451 0 C-N-CA 124.5 1.12 . . . . 0.0 110.422 174.585 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 67.6 mt -60.42 -35.88 76.84 Favored 'General case' 0 CA--C 1.544 0.726 0 C-N-CA 124.415 1.086 . . . . 0.0 112.808 179.553 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 42.0 mt-10 -63.6 -41.42 98.33 Favored 'General case' 0 N--CA 1.474 0.768 0 O-C-N 121.283 -0.886 . . . . 0.0 112.644 169.607 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 85.8 m-20 -68.09 -32.75 73.29 Favored 'General case' 0 CA--C 1.542 0.668 0 O-C-N 121.583 -0.698 . . . . 0.0 112.189 179.637 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 25.6 m-85 -70.97 -29.44 65.44 Favored 'General case' 0 N--CA 1.47 0.571 0 N-CA-C 112.825 0.676 . . . . 0.0 112.825 173.057 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 35.2 t -72.35 -43.86 63.45 Favored 'General case' 0 CA--C 1.545 0.76 0 O-C-N 121.669 -0.645 . . . . 0.0 111.872 171.368 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 50.6 t-20 . . . . . 0 CA--C 1.542 0.641 0 C-N-CA 125.153 1.381 . . . . 0.0 111.473 179.556 . . . . . . . . 0 0 . 1 . 018 nuclear build full ' B' B ' 1' ' ' PHE . . . . . . . . . . . . . 33.3 t80 . . . . . 0 CA--C 1.539 0.528 0 N-CA-C 112.013 0.375 . . . . 0.0 112.013 . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' B' B ' 2' ' ' VAL . . . . . . . . . . . . . 17.3 m -135.03 139.23 47.64 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.771 0 C-N-CA 125.309 1.444 . . . . 0.0 109.326 163.524 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 3' ' ' ASN . . . . . . . . . . . . . 40.8 p30 -63.97 150.1 45.88 Favored 'General case' 0 CA--C 1.533 0.296 0 CA-C-O 123.144 1.45 . . . . 0.0 113.267 176.274 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 4' ' ' GLN . . . . . . . . . . . . . 7.4 pt20 -167.52 166.79 14.04 Favored 'General case' 0 N--CA 1.444 -0.739 0 C-N-CA 127.521 2.328 . . . . 0.0 108.005 -170.742 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 5' ' ' HIS . . . . . . . . . . . . . 16.7 m80 -63.38 132.27 50.95 Favored 'General case' 0 C--N 1.321 -0.666 0 C-N-CA 125.572 1.549 . . . . 0.0 109.257 164.19 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 63.5 mt -138.02 128.34 26.16 Favored 'General case' 0 N--CA 1.467 0.422 0 C-N-CA 125.309 1.444 . . . . 0.0 110.787 -172.023 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 7' ' ' CYS . . . . . . . . . . . . . 1.8 t -152.61 160.76 43.18 Favored 'General case' 0 CA--C 1.542 0.635 0 C-N-CA 123.319 0.648 . . . . 0.0 112.166 -179.196 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 8' ' ' GLY . . . . . . . . . . . . . . . 58.72 -135.82 51.64 Favored Glycine 0 CA--C 1.536 1.369 0 C-N-CA 123.704 0.669 . . . . 0.0 113.09 -179.416 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 9' ' ' SER . . . . . . . . . . . . . 9.6 t -59.74 -37.78 79.9 Favored 'General case' 0 N--CA 1.474 0.728 0 O-C-N 121.965 -0.727 . . . . 0.0 112.424 177.984 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 10' ' ' HIS . . . . . . . . . . . . . 33.5 m80 -60.57 -36.18 77.88 Favored 'General case' 0 N--CA 1.473 0.712 0 O-C-N 121.513 -0.742 . . . . 0.0 112.631 179.47 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 47.2 tp -67.46 -42.33 83.21 Favored 'General case' 0 CA--C 1.536 0.426 0 C-N-CA 124.186 0.995 . . . . 0.0 112.507 175.947 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 68.8 t -67.61 -42.91 87.14 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.672 0 C-N-CA 123.803 0.841 . . . . 0.0 110.732 176.428 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 33.5 mt-10 -64.31 -42.01 96.56 Favored 'General case' 0 CA--C 1.537 0.478 0 C-N-CA 124.311 1.044 . . . . 0.0 111.995 177.021 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -63.62 -38.71 92.14 Favored 'General case' 0 CA--C 1.539 0.541 0 O-C-N 121.402 -0.811 . . . . 0.0 113.169 -179.92 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 3.9 pp -78.89 -31.85 45.58 Favored 'General case' 0 N--CA 1.47 0.531 0 CA-C-N 118.559 0.618 . . . . 0.0 111.945 177.151 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 16' ' ' TYR . . . . . . . . . . . . . 3.0 t80 -62.82 -40.1 96.37 Favored 'General case' 0 CA--C 1.539 0.549 0 C-N-CA 123.796 0.838 . . . . 0.0 111.861 171.454 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 30.0 mt -68.86 -45.68 70.44 Favored 'General case' 0 N--CA 1.467 0.4 0 C-N-CA 123.715 0.806 . . . . 0.0 111.846 -176.899 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 18' ' ' VAL . . . . . . . . . . . . . 10.6 p -73.26 -33.78 42.23 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.609 0 C-N-CA 122.932 0.493 . . . . 0.0 112.258 -179.926 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 19' ' ' CYS . . . . . . . . . . . . . 9.2 t -81.11 -31.63 34.19 Favored 'General case' 0 CA--C 1.541 0.629 0 N-CA-C 112.814 0.672 . . . . 0.0 112.814 -178.436 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . -79.42 -6.01 89.06 Favored Glycine 0 CA--C 1.536 1.384 0 C-N-CA 125.222 1.392 . . . . 0.0 115.167 175.218 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 37.7 tt0 -59.48 138.77 57.57 Favored 'General case' 0 CA--C 1.544 0.725 0 CA-C-N 118.902 1.351 . . . . 0.0 112.198 179.86 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 22' ' ' ARG . . . . . . . . . . . . . 15.7 mmm180 -76.37 -25.97 55.17 Favored 'General case' 0 N--CA 1.478 0.958 0 N-CA-C 114.674 1.361 . . . . 0.0 114.674 -163.981 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . 66.83 -169.3 34.85 Favored Glycine 0 CA--C 1.538 1.521 0 C-N-CA 124.362 0.982 . . . . 0.0 113.862 -175.395 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 24' ' ' DHI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' B' B ' 25' ' ' PHE . . . . . . . . . . . . . 32.0 m-85 -72.31 -176.34 1.81 Allowed 'General case' 0 CA--C 1.546 0.794 0 C-N-CA 125.938 1.695 . . . . 0.0 112.134 174.616 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 26' ' ' TYR . . . . . . . . . . . . . 14.1 m-85 -76.81 9.09 3.08 Favored 'General case' 0 N--CA 1.48 1.07 0 N-CA-C 116.616 2.08 . . . . 0.0 116.616 -169.637 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 27' ' ' THR . . . . . 0.52 ' H ' ' HD2' ' B' ' 28' ' ' PRO . 85.4 m -123.0 -58.2 0.03 OUTLIER Pre-proline 0 N--CA 1.48 1.048 0 C-N-CA 127.552 2.341 . . . . 0.0 113.757 178.231 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 28' ' ' PRO . . . . . 0.52 ' HD2' ' H ' ' B' ' 27' ' ' THR . 70.8 Cg_endo -68.32 159.62 52.52 Favored 'Trans proline' 0 CA--C 1.541 0.851 0 C-N-CA 123.169 2.579 . . . . 0.0 113.234 177.127 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 58.9 mtmt -139.93 154.24 47.16 Favored 'General case' 0 N--CA 1.475 0.815 0 C-N-CA 125.861 1.664 . . . . 0.0 111.717 179.952 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 30' ' ' THR . . . . . . . . . . . . . 18.3 p . . . . . 0 C--O 1.252 1.226 0 C-N-CA 126.267 1.827 . . . . 0.0 113.351 175.571 . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.479 1.532 0 N-CA-C 112.383 -0.287 . . . . 0.0 112.383 . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 6.2 tp -55.9 -41.36 66.79 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.008 0 C-N-CA 125.553 1.541 . . . . 0.0 114.465 -170.23 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 8.3 t -71.14 -54.52 17.23 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.01 0 O-C-N 121.169 -0.957 . . . . 0.0 111.279 -176.444 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 24.3 pt-20 -68.42 -9.39 48.15 Favored 'General case' 0 CA--C 1.542 0.665 0 C-N-CA 125.203 1.401 . . . . 0.0 113.992 -179.353 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 42.2 mt-30 -98.42 -42.62 7.26 Favored 'General case' 0 CA--C 1.54 0.562 0 C-N-CA 124.776 1.23 . . . . 0.0 112.304 172.696 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 78.2 m -99.32 -11.51 21.17 Favored 'General case' 0 CA--C 1.544 0.729 0 N-CA-C 115.97 1.841 . . . . 0.0 115.97 -175.47 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 43.2 t -90.68 -25.1 20.24 Favored 'General case' 0 N--CA 1.477 0.916 0 CA-C-N 119.835 1.198 . . . . 0.0 112.635 175.477 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 12.0 t -80.5 -31.5 37.18 Favored 'General case' 0 N--CA 1.478 0.933 0 C-N-CA 124.532 1.133 . . . . 0.0 113.317 177.69 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 84.0 p -153.04 168.89 24.35 Favored 'General case' 0 N--CA 1.473 0.681 0 C-N-CA 125.691 1.596 . . . . 0.0 111.63 177.365 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 55.4 mt -58.32 139.39 18.06 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.823 0 C-N-CA 124.344 1.057 . . . . 0.0 111.951 -177.974 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 22.8 m -112.85 135.25 53.82 Favored 'General case' 0 CA--C 1.536 0.422 0 C-N-CA 124.331 1.052 . . . . 0.0 111.477 164.769 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 48.5 m -86.23 165.65 16.33 Favored 'General case' 0 N--CA 1.468 0.462 0 C-N-CA 125.199 1.399 . . . . 0.0 112.433 175.181 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 13' ' ' LEU . . . . . 0.488 HD12 ' H ' ' A' ' 13' ' ' LEU . 6.9 mp -47.29 -51.39 19.27 Favored 'General case' 0 N--CA 1.473 0.691 0 C-N-CA 124.812 1.245 . . . . 0.0 111.012 170.188 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 35.2 m-85 -60.57 -20.66 61.1 Favored 'General case' 0 CA--C 1.541 0.606 0 C-N-CA 127.018 2.127 . . . . 0.0 114.452 -179.258 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 44.8 mt-30 -89.75 -50.2 6.2 Favored 'General case' 0 N--CA 1.468 0.461 0 C-N-CA 125.269 1.427 . . . . 0.0 111.001 174.336 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 94.5 mt -59.67 -33.68 71.87 Favored 'General case' 0 CA--C 1.541 0.601 0 C-N-CA 124.33 1.052 . . . . 0.0 112.954 -179.442 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 35.8 mt-10 -62.0 -21.25 64.7 Favored 'General case' 0 CA--C 1.544 0.745 0 N-CA-C 114.597 1.332 . . . . 0.0 114.597 177.799 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 52.9 m-80 -72.33 -39.63 68.02 Favored 'General case' 0 N--CA 1.475 0.782 0 CA-C-N 119.674 1.125 . . . . 0.0 111.718 175.63 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 79.7 m-85 -67.91 -23.13 65.06 Favored 'General case' 0 CA--C 1.541 0.632 0 C-N-CA 124.594 1.158 . . . . 0.0 112.513 178.389 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 73.1 m -73.77 0.56 12.7 Favored 'General case' 0 CA--C 1.545 0.756 0 C-N-CA 125.728 1.611 . . . . 0.0 114.731 172.227 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 60.1 t30 . . . . . 0 CA--C 1.539 0.526 0 C-N-CA 126.239 1.815 . . . . 0.0 113.717 165.314 . . . . . . . . 0 0 . 1 . 019 nuclear build full ' B' B ' 1' ' ' PHE . . . . . . . . . . . . . 74.3 t80 . . . . . 0 CA--C 1.54 0.591 0 N-CA-C 112.694 0.627 . . . . 0.0 112.694 . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' B' B ' 2' ' ' VAL . . . . . . . . . . . . . 17.5 m -132.97 139.99 48.3 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.697 0 C-N-CA 125.58 1.552 . . . . 0.0 109.693 165.055 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 3' ' ' ASN . . . . . . . . . . . . . 5.9 m-20 -48.16 139.54 8.24 Favored 'General case' 0 CA--C 1.54 0.562 0 N-CA-C 114.1 1.148 . . . . 0.0 114.1 -173.165 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 4' ' ' GLN . . . . . . . . . . . . . 6.5 pt20 -168.63 166.32 11.89 Favored 'General case' 0 CA--C 1.539 0.55 0 C-N-CA 126.364 1.865 . . . . 0.0 109.772 176.611 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 5' ' ' HIS . . . . . . . . . . . . . 21.6 m-70 -70.93 140.47 50.97 Favored 'General case' 0 N--CA 1.472 0.66 0 C-N-CA 124.802 1.241 . . . . 0.0 109.787 162.736 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 75.8 mt -140.53 125.47 18.33 Favored 'General case' 0 N--CA 1.47 0.549 0 C-N-CA 124.232 1.013 . . . . 0.0 112.673 -167.198 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 7' ' ' CYS . . . . . . . . . . . . . 87.2 m -131.99 -93.64 0.37 Allowed 'General case' 0 CA--C 1.546 0.815 0 N-CA-C 114.023 1.12 . . . . 0.0 114.023 -167.575 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 8' ' ' GLY . . . . . . . . . . . . . . . -100.74 118.01 6.05 Favored Glycine 0 N--CA 1.471 0.991 0 C-N-CA 124.654 1.121 . . . . 0.0 112.898 -173.143 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 9' ' ' SER . . . . . . . . . . . . . 69.9 m 57.27 -35.13 0.04 OUTLIER 'General case' 0 N--CA 1.478 0.949 0 C-N-CA 129.515 3.126 . . . . 0.0 115.646 -170.815 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 10' ' ' HIS . . . . . . . . . . . . . 35.2 m170 -55.72 -39.96 71.79 Favored 'General case' 0 N--CA 1.47 0.555 0 C-N-CA 125.804 1.642 . . . . 0.0 111.511 174.335 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 63.5 tp -62.21 -37.7 86.34 Favored 'General case' 0 CA--C 1.538 0.485 0 C-N-CA 126.158 1.783 . . . . 0.0 113.545 177.179 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 41.0 t -75.78 -42.57 40.42 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.67 0 C-N-CA 123.644 0.777 . . . . 0.0 110.356 176.616 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 50.2 mt-10 -61.72 -41.95 98.3 Favored 'General case' 0 CA--C 1.537 0.449 0 C-N-CA 123.388 0.675 . . . . 0.0 112.1 175.804 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -62.65 -42.63 99.71 Favored 'General case' 0 CA--C 1.538 0.498 0 O-C-N 121.424 -0.797 . . . . 0.0 113.063 -179.165 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 15' ' ' LEU . . . . . 0.434 ' HA ' HG12 ' B' ' 18' ' ' VAL . 4.1 pp -76.22 -32.29 58.87 Favored 'General case' 0 CA--C 1.538 0.492 0 O-C-N 122.173 -0.329 . . . . 0.0 111.47 178.773 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 16' ' ' TYR . . . . . . . . . . . . . 1.2 t80 -61.14 -43.92 98.13 Favored 'General case' 0 CA--C 1.538 0.518 0 O-C-N 121.216 -0.928 . . . . 0.0 111.552 169.346 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 29.6 mt -67.89 -42.81 80.65 Favored 'General case' 0 CA--C 1.533 0.321 0 C-N-CA 123.681 0.792 . . . . 0.0 112.366 -175.574 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 18' ' ' VAL . . . . . 0.434 HG12 ' HA ' ' B' ' 15' ' ' LEU . 9.3 p -75.56 -28.02 19.48 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.633 0 N-CA-C 112.671 0.619 . . . . 0.0 112.671 -179.017 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 19' ' ' CYS . . . . . . . . . . . . . 71.3 m -99.0 -22.18 15.86 Favored 'General case' 0 CA--C 1.542 0.65 0 N-CA-C 115.111 1.523 . . . . 0.0 115.111 -177.74 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . 75.6 15.02 81.51 Favored Glycine 0 CA--C 1.537 1.455 0 C-N-CA 125.292 1.425 . . . . 0.0 115.112 -178.498 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 3.3 mm-40 -141.72 159.86 41.36 Favored 'General case' 0 N--CA 1.475 0.799 0 CA-C-N 118.869 1.335 . . . . 0.0 114.364 -173.497 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 22' ' ' ARG . . . . . . . . . . . . . 10.3 mmm180 -114.73 -23.91 8.97 Favored 'General case' 0 N--CA 1.472 0.628 0 C-N-CA 128.309 2.644 . . . . 0.0 112.957 173.691 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . -73.51 -28.26 65.95 Favored Glycine 0 CA--C 1.533 1.189 0 N-CA-C 116.037 1.175 . . . . 0.0 116.037 -165.352 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 24' ' ' DHI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' B' B ' 25' ' ' PHE . . . . . . . . . . . . . 46.2 m-85 -63.85 153.09 37.84 Favored 'General case' 0 CA--C 1.541 0.597 0 C-N-CA 125.743 1.617 . . . . 0.0 113.929 -172.985 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 26' ' ' TYR . . . . . . . . . . . . . 49.7 m-85 -77.58 147.1 35.85 Favored 'General case' 0 CA--C 1.535 0.386 0 N-CA-C 115.116 1.525 . . . . 0.0 115.116 -176.778 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 27' ' ' THR . . . . . . . . . . . . . 60.2 p -126.9 144.96 52.0 Favored Pre-proline 0 CA--C 1.539 0.541 0 C-N-CA 126.17 1.788 . . . . 0.0 109.296 154.092 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 28' ' ' PRO . . . . . . . . . . . . . 47.0 Cg_endo -65.86 125.7 14.69 Favored 'Trans proline' 0 CA--C 1.539 0.764 0 C-N-CA 123.095 2.53 . . . . 0.0 111.412 179.163 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 7.5 ptpp? -141.58 15.36 2.17 Favored 'General case' 0 N--CA 1.481 1.08 0 C-N-CA 125.5 1.52 . . . . 0.0 114.329 -172.518 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 30' ' ' THR . . . . . . . . . . . . . 16.6 m . . . . . 0 C--O 1.254 1.298 0 C-N-CA 126.501 1.92 . . . . 0.0 112.518 -177.097 . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.482 1.727 0 N-CA-C 111.563 -0.615 . . . . 0.0 111.563 . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 8.7 tt -70.08 -37.96 73.63 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.993 0 C-N-CA 124.034 0.933 . . . . 0.0 112.892 -179.739 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 33.8 t -68.74 136.49 26.28 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.555 0 C-N-CA 123.605 0.762 . . . . 0.0 109.825 172.487 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 42.7 mt-10 58.74 15.11 3.54 Favored 'General case' 0 CA--C 1.549 0.938 0 C-N-CA 125.786 1.634 . . . . 0.0 115.3 -166.396 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 49.3 tp60 -90.11 -73.47 0.52 Allowed 'General case' 0 N--CA 1.471 0.594 0 O-C-N 121.202 -0.936 . . . . 0.0 109.193 155.103 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 2.7 t -85.42 -10.52 56.1 Favored 'General case' 0 CA--C 1.543 0.702 0 N-CA-C 114.418 1.266 . . . . 0.0 114.418 -163.61 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 8.0 t -76.05 -13.95 60.21 Favored 'General case' 0 CA--C 1.55 0.957 0 O-C-N 121.418 -0.801 . . . . 0.0 112.674 173.304 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 13.9 t -128.2 -18.12 4.16 Favored 'General case' 0 N--CA 1.48 1.038 0 C-N-CA 125.671 1.588 . . . . 0.0 113.929 -177.227 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 94.1 p -135.76 168.12 19.88 Favored 'General case' 0 N--CA 1.473 0.68 0 C-N-CA 125.9 1.68 . . . . 0.0 111.818 177.51 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 35.4 mt -77.84 137.68 21.77 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.614 0 O-C-N 121.184 -0.947 . . . . 0.0 110.493 173.458 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 29.1 p -119.09 159.95 22.97 Favored 'General case' 0 CA--C 1.543 0.711 0 C-N-CA 124.889 1.276 . . . . 0.0 112.477 171.979 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 20.5 m -119.59 160.24 22.83 Favored 'General case' 0 N--CA 1.473 0.685 0 C-N-CA 126.055 1.742 . . . . 0.0 111.391 -176.516 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 2.3 pt? -53.67 -35.77 61.4 Favored 'General case' 0 CA--C 1.542 0.664 0 N-CA-C 113.341 0.867 . . . . 0.0 113.341 171.265 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 32.9 m-85 -61.54 -16.83 51.34 Favored 'General case' 0 N--CA 1.472 0.629 0 C-N-CA 125.663 1.585 . . . . 0.0 114.178 175.719 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 6.9 mm-40 -102.67 -49.35 3.85 Favored 'General case' 0 CA--C 1.536 0.434 0 C-N-CA 125.104 1.361 . . . . 0.0 111.653 170.205 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 88.7 mt -60.93 -32.76 72.25 Favored 'General case' 0 N--CA 1.47 0.544 0 N-CA-C 114.474 1.287 . . . . 0.0 114.474 -175.041 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 38.4 mt-10 -66.39 -23.71 66.37 Favored 'General case' 0 CA--C 1.543 0.699 0 N-CA-C 113.18 0.807 . . . . 0.0 113.18 178.513 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 23.2 m-80 -74.96 -38.53 61.68 Favored 'General case' 0 N--CA 1.473 0.698 0 O-C-N 121.269 -0.894 . . . . 0.0 111.38 175.036 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 23.2 m-85 -69.68 -9.22 53.45 Favored 'General case' 0 CA--C 1.543 0.674 0 C-N-CA 124.508 1.123 . . . . 0.0 113.567 178.975 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 32.5 t -62.72 -26.01 68.46 Favored 'General case' 0 CA--C 1.543 0.701 0 C-N-CA 124.798 1.239 . . . . 0.0 113.233 170.169 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 25.7 t-20 . . . . . 0 CA--C 1.544 0.736 0 C-N-CA 123.777 0.831 . . . . 0.0 112.201 178.814 . . . . . . . . 0 0 . 1 . 020 nuclear build full ' B' B ' 1' ' ' PHE . . . . . . . . . . . . . 63.0 t80 . . . . . 0 CA--C 1.541 0.606 0 N-CA-C 112.262 0.467 . . . . 0.0 112.262 . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' B' B ' 2' ' ' VAL . . . . . . . . . . . . . 17.5 m -134.23 134.63 55.05 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.837 0 C-N-CA 125.108 1.363 . . . . 0.0 110.467 169.178 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 3' ' ' ASN . . . . . . . . . . . . . 8.0 m-20 -63.17 144.07 57.24 Favored 'General case' 0 CA--C 1.534 0.339 0 N-CA-C 113.359 0.874 . . . . 0.0 113.359 -175.565 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 4' ' ' GLN . . . . . . . . . . . . . 7.3 pt20 -170.75 160.65 7.06 Favored 'General case' 0 CA--C 1.54 0.561 0 C-N-CA 126.957 2.103 . . . . 0.0 109.348 -177.487 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 5' ' ' HIS . . . . . . . . . . . . . 28.5 m-70 -69.52 142.53 53.65 Favored 'General case' 0 CA--C 1.543 0.711 0 C-N-CA 124.4 1.08 . . . . 0.0 110.304 163.176 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 56.3 mt -143.27 136.76 28.33 Favored 'General case' 0 N--CA 1.473 0.712 0 C-N-CA 125.509 1.524 . . . . 0.0 111.303 -175.727 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 7' ' ' CYS . . . . . . . . . . . . . 4.4 t -152.08 159.4 43.68 Favored 'General case' 0 CA--C 1.541 0.617 0 N-CA-C 112.849 0.685 . . . . 0.0 112.849 -178.954 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 8' ' ' GLY . . . . . . . . . . . . . . . 57.72 -136.79 50.42 Favored Glycine 0 CA--C 1.534 1.262 0 C-N-CA 124.134 0.873 . . . . 0.0 113.246 177.704 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 9' ' ' SER . . . . . . . . . . . . . 19.1 m -58.91 -34.98 72.31 Favored 'General case' 0 N--CA 1.472 0.658 0 C-N-CA 123.77 0.828 . . . . 0.0 112.796 177.691 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 10' ' ' HIS . . . . . . . . . . . . . 31.6 m170 -63.61 -35.16 79.61 Favored 'General case' 0 N--CA 1.472 0.643 0 C-N-CA 123.566 0.746 . . . . 0.0 112.405 178.515 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 42.1 tp -67.01 -43.32 83.2 Favored 'General case' 0 CA--C 1.539 0.531 0 C-N-CA 124.121 0.968 . . . . 0.0 112.0 175.279 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 58.7 t -67.87 -41.52 84.98 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.84 0 C-N-CA 124.11 0.964 . . . . 0.0 111.252 178.346 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 44.6 mt-10 -66.34 -44.47 83.19 Favored 'General case' 0 N--CA 1.467 0.419 0 O-C-N 121.455 -0.778 . . . . 0.0 111.943 174.361 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -64.29 -38.63 91.74 Favored 'General case' 0 CA--C 1.538 0.512 0 O-C-N 121.259 -0.9 . . . . 0.0 112.999 -177.639 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 15' ' ' LEU . . . . . 0.405 ' HA ' HG12 ' B' ' 18' ' ' VAL . 3.3 pp -73.04 -34.27 66.21 Favored 'General case' 0 N--CA 1.47 0.549 0 CA-C-N 118.9 0.773 . . . . 0.0 111.734 178.485 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 16' ' ' TYR . . . . . . . . . . . . . 1.9 t80 -63.98 -44.4 92.83 Favored 'General case' 0 CA--C 1.539 0.533 0 C-N-CA 124.007 0.923 . . . . 0.0 111.129 172.0 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 50.0 mt -69.31 -43.32 73.99 Favored 'General case' 0 CA--C 1.535 0.378 0 C-N-CA 124.172 0.989 . . . . 0.0 112.734 -178.579 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 18' ' ' VAL . . . . . 0.405 HG12 ' HA ' ' B' ' 15' ' ' LEU . 3.8 p -73.86 -28.84 24.76 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.791 0 C-N-CA 122.993 0.517 . . . . 0.0 112.177 -178.544 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 19' ' ' CYS . . . . . . . . . . . . . 43.1 t -76.85 -34.44 57.84 Favored 'General case' 0 CA--C 1.54 0.592 0 C-N-CA 124.348 1.059 . . . . 0.0 112.743 171.57 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . 77.06 14.57 82.49 Favored Glycine 0 CA--C 1.539 1.537 0 C-N-CA 124.843 1.211 . . . . 0.0 114.087 -173.942 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 33.8 tt0 -150.51 148.1 28.29 Favored 'General case' 0 CA--C 1.541 0.618 0 C-N-CA 125.732 1.613 . . . . 0.0 111.001 -176.366 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 22' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -77.36 -21.03 53.9 Favored 'General case' 0 N--CA 1.48 1.053 0 N-CA-C 114.713 1.375 . . . . 0.0 114.713 -178.399 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . 60.36 19.8 53.74 Favored Glycine 0 CA--C 1.536 1.391 0 N-CA-C 117.695 1.838 . . . . 0.0 117.695 161.925 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 24' ' ' DHI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' B' B ' 25' ' ' PHE . . . . . . . . . . . . . 18.7 m-85 -101.63 159.33 15.4 Favored 'General case' 0 CA--C 1.539 0.552 0 C-N-CA 124.973 1.309 . . . . 0.0 112.874 -177.341 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 26' ' ' TYR . . . . . . . . . . . . . 77.3 m-85 -75.71 145.64 40.73 Favored 'General case' 0 CA--C 1.538 0.495 0 C-N-CA 123.891 0.877 . . . . 0.0 111.684 173.786 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 27' ' ' THR . . . . . . . . . . . . . 16.5 p -140.11 98.75 7.49 Favored Pre-proline 0 N--CA 1.474 0.773 0 C-N-CA 125.176 1.39 . . . . 0.0 110.636 -173.682 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 28' ' ' PRO . . . . . . . . . . . . . 62.8 Cg_exo -60.68 151.55 75.5 Favored 'Trans proline' 0 CA--C 1.539 0.765 0 C-N-CA 123.55 2.834 . . . . 0.0 114.023 178.965 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 59.9 mtpt -136.97 153.97 50.55 Favored 'General case' 0 N--CA 1.475 0.797 0 C-N-CA 126.338 1.855 . . . . 0.0 111.365 178.927 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 30' ' ' THR . . . . . . . . . . . . . 20.0 m . . . . . 0 C--O 1.252 1.213 0 C-N-CA 126.134 1.774 . . . . 0.0 112.153 178.243 . . . . . . . . 0 0 . 1 . 021 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.615 0 N-CA-C 112.536 -0.225 . . . . 0.0 112.536 . . . . . . . . . 0 0 . 1 . 021 nuclear build full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 10.6 tt -64.91 -42.28 94.4 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.898 0 C-N-CA 124.905 1.282 . . . . 0.0 114.334 -174.199 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 8.3 p -66.71 -45.18 88.77 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.987 0 O-C-N 120.912 -1.117 . . . . 0.0 112.607 -170.429 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 16.9 pt-20 -73.68 1.36 10.43 Favored 'General case' 0 CA--C 1.541 0.599 0 C-N-CA 125.125 1.37 . . . . 0.0 114.29 176.004 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 92.8 mt-30 -102.66 -54.82 2.57 Favored 'General case' 0 CA--C 1.538 0.481 0 C-N-CA 125.233 1.413 . . . . 0.0 109.584 168.357 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 75.8 m -75.11 -22.48 58.2 Favored 'General case' 0 CA--C 1.542 0.649 0 N-CA-C 114.135 1.161 . . . . 0.0 114.135 -175.276 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 5.9 t -83.36 -12.71 56.25 Favored 'General case' 0 CA--C 1.548 0.891 0 O-C-N 121.322 -0.861 . . . . 0.0 112.84 178.118 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 13.8 t -114.95 -25.64 8.09 Favored 'General case' 0 N--CA 1.481 1.113 0 C-N-CA 125.19 1.396 . . . . 0.0 114.329 -179.302 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 97.2 p -136.94 159.83 40.71 Favored 'General case' 0 N--CA 1.473 0.699 0 C-N-CA 125.252 1.421 . . . . 0.0 111.705 168.239 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 45.2 mt -64.59 140.64 19.37 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.816 0 O-C-N 121.133 -0.979 . . . . 0.0 112.097 -172.575 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 64.3 m -120.26 106.38 11.85 Favored 'General case' 0 CA--C 1.534 0.335 0 C-N-CA 124.721 1.208 . . . . 0.0 110.293 169.348 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 59.8 m -71.5 164.81 25.12 Favored 'General case' 0 N--CA 1.468 0.436 0 C-N-CA 124.305 1.042 . . . . 0.0 110.81 171.079 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 2.3 pp -57.01 -33.46 67.18 Favored 'General case' 0 CA--C 1.547 0.83 0 O-C-N 121.366 -0.834 . . . . 0.0 112.316 179.097 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 43.7 m-85 -69.11 -26.58 64.98 Favored 'General case' 0 CA--C 1.541 0.632 0 C-N-CA 125.491 1.516 . . . . 0.0 113.72 175.806 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 42.0 mt-30 -79.71 -47.47 15.25 Favored 'General case' 0 N--CA 1.469 0.505 0 C-N-CA 124.278 1.031 . . . . 0.0 110.138 172.213 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 95.7 mt -56.41 -35.67 68.05 Favored 'General case' 0 N--CA 1.474 0.773 0 C-N-CA 124.222 1.009 . . . . 0.0 113.036 176.717 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 5.0 mm-40 -56.06 -37.48 69.33 Favored 'General case' 0 N--CA 1.473 0.723 0 C-N-CA 124.632 1.173 . . . . 0.0 113.659 172.124 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 95.0 m-20 -68.27 -29.9 68.8 Favored 'General case' 0 N--CA 1.47 0.542 0 O-C-N 121.356 -0.84 . . . . 0.0 112.146 -178.087 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 94.0 m-85 -74.58 -26.19 59.76 Favored 'General case' 0 CA--C 1.539 0.55 0 C-N-CA 123.958 0.903 . . . . 0.0 112.665 174.179 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 9.0 t -76.81 -34.33 57.93 Favored 'General case' 0 CA--C 1.545 0.777 0 CA-C-N 118.549 0.613 . . . . 0.0 112.242 170.614 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 N--CA 1.471 0.591 0 C-N-CA 124.902 1.281 . . . . 0.0 112.058 177.782 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' B' B ' 1' ' ' PHE . . . . . . . . . . . . . 43.7 t80 . . . . . 0 CA--C 1.542 0.641 0 N-CA-C 112.091 0.404 . . . . 0.0 112.091 . . . . . . . . . 0 0 . 1 . 021 nuclear build full ' B' B ' 2' ' ' VAL . . . . . . . . . . . . . 47.5 t -136.48 128.74 44.8 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.929 0 C-N-CA 125.339 1.455 . . . . 0.0 109.346 174.456 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' B' B ' 3' ' ' ASN . . . . . . . . . . . . . 94.9 m-20 -58.01 135.35 56.94 Favored 'General case' 0 N--CA 1.47 0.525 0 C-N-CA 123.231 0.612 . . . . 0.0 112.229 178.406 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' B' B ' 4' ' ' GLN . . . . . . . . . . . . . 6.4 pt20 -163.48 166.29 22.84 Favored 'General case' 0 CA--C 1.537 0.455 0 C-N-CA 125.062 1.345 . . . . 0.0 110.557 176.693 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' B' B ' 5' ' ' HIS . . . . . . . . . . . . . 27.9 m-70 -76.59 80.48 3.26 Favored 'General case' 0 CA--C 1.545 0.753 0 C-N-CA 125.358 1.463 . . . . 0.0 110.686 168.728 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 2.7 mm? -60.98 135.32 57.75 Favored 'General case' 0 N--CA 1.474 0.743 0 O-C-N 121.367 -0.833 . . . . 0.0 111.923 -179.996 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' B' B ' 7' ' ' CYS . . . . . . . . . . . . . 7.0 t -150.92 158.14 43.77 Favored 'General case' 0 CA--C 1.541 0.622 0 C-N-CA 123.163 0.585 . . . . 0.0 112.331 -176.591 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' B' B ' 8' ' ' GLY . . . . . . . . . . . . . . . 56.46 -135.33 50.49 Favored Glycine 0 CA--C 1.535 1.321 0 C-N-CA 124.034 0.826 . . . . 0.0 113.735 176.418 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' B' B ' 9' ' ' SER . . . . . . . . . . . . . 36.2 p -64.62 -31.72 73.06 Favored 'General case' 0 N--CA 1.471 0.613 0 C-N-CA 123.991 0.916 . . . . 0.0 113.351 176.379 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' B' B ' 10' ' ' HIS . . . . . . . . . . . . . 32.0 m170 -63.51 -35.12 79.43 Favored 'General case' 0 N--CA 1.472 0.668 0 CA-C-N 118.937 0.79 . . . . 0.0 112.298 177.966 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 63.9 tp -65.35 -44.89 86.28 Favored 'General case' 0 N--CA 1.467 0.384 0 C-N-CA 124.309 1.044 . . . . 0.0 112.166 174.348 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 72.5 t -64.62 -42.66 95.74 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.584 0 C-N-CA 123.849 0.86 . . . . 0.0 110.767 177.579 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 47.4 mt-10 -65.02 -44.59 88.64 Favored 'General case' 0 N--CA 1.468 0.448 0 O-C-N 121.721 -0.612 . . . . 0.0 112.224 175.608 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -63.58 -38.28 90.54 Favored 'General case' 0 CA--C 1.542 0.665 0 O-C-N 121.277 -0.889 . . . . 0.0 112.929 -177.326 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' B' B ' 15' ' ' LEU . . . . . 0.405 ' HA ' HG12 ' B' ' 18' ' ' VAL . 3.6 pp -78.23 -29.99 48.54 Favored 'General case' 0 CA--C 1.541 0.615 0 O-C-N 121.721 -0.612 . . . . 0.0 112.602 177.202 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' B' B ' 16' ' ' TYR . . . . . . . . . . . . . 1.0 OUTLIER -64.51 -41.37 96.46 Favored 'General case' 0 N--CA 1.468 0.47 0 C-N-CA 123.72 0.808 . . . . 0.0 111.326 170.148 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 45.6 mt -68.91 -48.63 62.83 Favored 'General case' 0 CA--C 1.534 0.329 0 C-N-CA 123.726 0.81 . . . . 0.0 111.873 -178.337 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' B' B ' 18' ' ' VAL . . . . . 0.405 HG12 ' HA ' ' B' ' 15' ' ' LEU . 5.9 p -67.05 -34.85 72.44 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.767 0 N-CA-C 111.986 0.365 . . . . 0.0 111.986 -177.501 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' B' B ' 19' ' ' CYS . . . . . . . . . . . . . 6.9 t -88.74 -36.87 15.9 Favored 'General case' 0 CA--C 1.541 0.606 0 N-CA-C 112.838 0.681 . . . . 0.0 112.838 -175.779 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . -64.73 -36.22 92.86 Favored Glycine 0 CA--C 1.533 1.218 0 O-C-N 120.98 -1.075 . . . . 0.0 113.517 178.628 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 37.9 tt0 -67.24 -15.14 63.52 Favored 'General case' 0 CA--C 1.544 0.743 0 C-N-CA 125.386 1.475 . . . . 0.0 114.114 -179.207 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' B' B ' 22' ' ' ARG . . . . . . . . . . . . . 16.4 ptm180 -109.82 -25.75 10.17 Favored 'General case' 0 N--CA 1.475 0.812 0 C-N-CA 125.55 1.54 . . . . 0.0 113.509 169.849 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . -76.87 -29.31 57.5 Favored Glycine 0 CA--C 1.534 1.222 0 C-N-CA 124.898 1.237 . . . . 0.0 115.47 -175.097 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' B' B ' 24' ' ' DHI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 021 nuclear build full ' B' B ' 25' ' ' PHE . . . . . . . . . . . . . 95.5 m-85 -119.99 132.38 55.47 Favored 'General case' 0 CA--C 1.536 0.43 0 C-N-CA 124.436 1.094 . . . . 0.0 112.294 -173.705 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' B' B ' 26' ' ' TYR . . . . . . . . . . . . . 80.9 m-85 -90.96 161.76 15.03 Favored 'General case' 0 N--CA 1.469 0.502 0 C-N-CA 124.917 1.287 . . . . 0.0 111.741 174.549 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' B' B ' 27' ' ' THR . . . . . . . . . . . . . 21.4 p -102.51 100.27 15.5 Favored Pre-proline 0 N--CA 1.474 0.743 0 C-N-CA 125.016 1.326 . . . . 0.0 111.245 178.765 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' B' B ' 28' ' ' PRO . . . . . . . . . . . . . 79.8 Cg_endo -71.39 159.21 52.24 Favored 'Trans proline' 0 CA--C 1.541 0.829 0 C-N-CA 123.11 2.54 . . . . 0.0 112.692 178.564 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 14.5 pttp -146.69 176.32 9.94 Favored 'General case' 0 N--CA 1.474 0.734 0 C-N-CA 125.984 1.714 . . . . 0.0 112.01 178.013 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' B' B ' 30' ' ' THR . . . . . . . . . . . . . 24.3 m . . . . . 0 C--O 1.254 1.327 0 C-N-CA 125.976 1.711 . . . . 0.0 111.857 169.795 . . . . . . . . 0 0 . 1 . 022 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.477 1.411 0 CA-C-O 118.586 -1.119 . . . . 0.0 111.06 . . . . . . . . . 0 0 . 1 . 022 nuclear build full ' A' A ' 2' ' ' ILE . . . . . 0.427 HD12 ' CG ' ' A' ' 19' ' ' TYR 0.256 18.2 tt 45.73 -57.39 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.477 0.917 1 C-N-CA 134.312 5.045 . . . . 0.0 117.296 178.018 . . . . . . . . 4 3 . 1 . 022 nuclear build full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 35.2 t -69.87 138.81 21.34 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.744 0 C-N-CA 125.713 1.605 . . . . 0.0 109.509 169.049 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 43.1 mt-10 54.56 21.85 3.62 Favored 'General case' 0 CA--C 1.549 0.93 0 N-CA-C 114.687 1.365 . . . . 0.0 114.687 -166.028 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 40.2 mt-30 -110.34 -64.38 1.27 Allowed 'General case' 0 N--CA 1.47 0.561 0 C-N-CA 124.619 1.167 . . . . 0.0 109.02 157.987 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -69.71 -18.1 63.51 Favored 'General case' 0 CA--C 1.548 0.891 0 N-CA-C 113.159 0.8 . . . . 0.0 113.159 -177.981 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 28.9 t -90.25 -7.2 54.07 Favored 'General case' 0 CA--C 1.549 0.931 0 C-N-CA 125.117 1.367 . . . . 0.0 113.367 178.61 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 5.7 t -124.06 -24.76 4.32 Favored 'General case' 0 N--CA 1.483 1.197 0 N-CA-C 114.146 1.165 . . . . 0.0 114.146 -179.821 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 92.4 p -126.85 155.41 42.98 Favored 'General case' 0 N--CA 1.47 0.564 0 C-N-CA 125.22 1.408 . . . . 0.0 111.133 165.771 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 15.1 mt -62.09 136.23 25.67 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.693 0 C-N-CA 123.881 0.873 . . . . 0.0 112.428 -170.443 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 58.8 m -80.42 146.47 31.44 Favored 'General case' 0 CA--C 1.537 0.452 0 C-N-CA 124.869 1.268 . . . . 0.0 111.648 173.67 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 55.0 m -130.81 157.64 42.3 Favored 'General case' 0 N--CA 1.47 0.535 0 C-N-CA 125.402 1.481 . . . . 0.0 109.77 171.628 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 13' ' ' LEU . . . . . 0.566 HD12 ' H ' ' A' ' 13' ' ' LEU . 4.7 mp -51.3 -45.35 62.14 Favored 'General case' 0 N--CA 1.47 0.533 0 C-N-CA 124.469 1.108 . . . . 0.0 111.244 179.548 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 24.8 m-85 -62.09 -37.67 85.96 Favored 'General case' 0 CA--C 1.54 0.563 0 C-N-CA 125.367 1.467 . . . . 0.0 112.94 -179.649 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 10.1 mm-40 -72.38 -42.47 65.18 Favored 'General case' 0 N--CA 1.469 0.491 0 C-N-CA 123.574 0.749 . . . . 0.0 110.733 176.714 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 69.0 mt -65.63 -36.59 84.14 Favored 'General case' 0 CA--C 1.544 0.748 0 C-N-CA 123.986 0.914 . . . . 0.0 112.086 177.236 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 39.0 mt-10 -66.75 -38.18 86.12 Favored 'General case' 0 CA--C 1.542 0.64 0 O-C-N 121.219 -0.925 . . . . 0.0 112.213 170.46 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 81.5 m-20 -63.96 -33.31 75.44 Favored 'General case' 0 CA--C 1.541 0.619 0 O-C-N 121.321 -0.862 . . . . 0.0 112.394 174.296 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 19' ' ' TYR . . . . . 0.427 ' CG ' HD12 ' A' ' 2' ' ' ILE . 25.4 m-85 -71.13 -32.65 69.26 Favored 'General case' 0 CA--C 1.54 0.581 0 N-CA-C 112.928 0.714 . . . . 0.0 112.928 172.203 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 35.5 t -70.81 -37.45 73.26 Favored 'General case' 0 CA--C 1.546 0.8 0 C-N-CA 123.353 0.661 . . . . 0.0 112.511 174.546 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 25.5 t-20 . . . . . 0 CA--C 1.545 0.755 0 C-N-CA 124.944 1.298 . . . . 0.0 112.713 -178.826 . . . . . . . . 0 0 . 1 . 022 nuclear build full ' B' B ' 1' ' ' PHE . . . . . . . . . . . . . 44.9 t80 . . . . . 0 CA--C 1.539 0.52 0 N-CA-C 112.127 0.417 . . . . 0.0 112.127 . . . . . . . . . 0 0 . 1 . 022 nuclear build full ' B' B ' 2' ' ' VAL . . . . . . . . . . . . . 25.2 m -136.19 141.44 41.48 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.774 0 C-N-CA 125.04 1.336 . . . . 0.0 110.115 166.117 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' B' B ' 3' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -51.85 129.67 27.22 Favored 'General case' 0 CA--C 1.538 0.489 0 C-N-CA 123.908 0.883 . . . . 0.0 113.255 178.112 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' B' B ' 4' ' ' GLN . . . . . . . . . . . . . 7.5 pt20 -165.27 153.12 11.23 Favored 'General case' 0 CA--C 1.533 0.321 0 C-N-CA 125.465 1.506 . . . . 0.0 110.285 177.591 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' B' B ' 5' ' ' HIS . . . . . . . . . . . . . 24.7 m-70 -70.06 145.0 51.99 Favored 'General case' 0 CA--C 1.542 0.657 0 C-N-CA 123.999 0.919 . . . . 0.0 110.259 161.93 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 73.6 mt -136.58 139.35 42.08 Favored 'General case' 0 N--CA 1.471 0.607 0 C-N-CA 125.01 1.324 . . . . 0.0 111.545 179.571 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' B' B ' 7' ' ' CYS . . . . . . . . . . . . . 72.0 m -134.93 143.85 47.13 Favored 'General case' 0 CA--C 1.539 0.533 0 C-N-CA 124.734 1.213 . . . . 0.0 111.291 -171.171 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' B' B ' 8' ' ' GLY . . . . . . . . . . . . . . . 52.44 -129.91 37.51 Favored Glycine 0 CA--C 1.534 1.25 0 C-N-CA 123.879 0.752 . . . . 0.0 113.676 174.922 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' B' B ' 9' ' ' SER . . . . . . . . . . . . . 23.3 m -57.32 -34.28 68.58 Favored 'General case' 0 N--CA 1.472 0.648 0 C-N-CA 124.262 1.025 . . . . 0.0 113.647 -179.969 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' B' B ' 10' ' ' HIS . . . . . . . . . . . . . 30.5 m170 -65.15 -32.81 74.69 Favored 'General case' 0 N--CA 1.475 0.781 0 CA-C-N 119.1 0.864 . . . . 0.0 112.456 178.818 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' B' B ' 11' ' ' LEU . . . . . 0.418 HD22 HD11 ' A' ' 2' ' ' ILE . 1.3 tt -67.34 -47.68 69.76 Favored 'General case' 0 CA--C 1.542 0.656 0 C-N-CA 125.13 1.372 . . . . 0.0 110.429 174.85 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 61.5 t -65.1 -40.54 89.22 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.886 0 C-N-CA 124.706 1.203 . . . . 0.0 111.777 178.745 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 43.8 mt-10 -65.26 -42.21 93.49 Favored 'General case' 0 N--CA 1.469 0.499 0 O-C-N 121.328 -0.858 . . . . 0.0 111.955 175.409 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -66.38 -38.14 86.87 Favored 'General case' 0 CA--C 1.539 0.556 0 O-C-N 121.306 -0.871 . . . . 0.0 112.951 -178.469 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 3.7 pp -74.39 -34.38 63.29 Favored 'General case' 0 N--CA 1.468 0.449 0 CA-C-N 118.395 0.543 . . . . 0.0 111.558 177.907 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' B' B ' 16' ' ' TYR . . . . . . . . . . . . . 2.9 t80 -62.03 -41.48 98.15 Favored 'General case' 0 CA--C 1.541 0.604 0 C-N-CA 123.703 0.801 . . . . 0.0 111.489 171.215 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 40.4 mt -69.56 -46.57 66.08 Favored 'General case' 0 CA--C 1.535 0.386 0 C-N-CA 123.649 0.78 . . . . 0.0 112.397 -178.768 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' B' B ' 18' ' ' VAL . . . . . . . . . . . . . 5.8 p -73.5 -30.55 30.18 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.817 0 N-CA-C 112.449 0.537 . . . . 0.0 112.449 -177.373 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' B' B ' 19' ' ' CYS . . . . . . . . . . . . . 11.2 t -85.34 -31.87 22.77 Favored 'General case' 0 CA--C 1.543 0.703 0 C-N-CA 123.92 0.888 . . . . 0.0 112.853 179.788 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . -78.72 -1.02 82.71 Favored Glycine 0 CA--C 1.539 1.547 0 C-N-CA 125.399 1.476 . . . . 0.0 115.518 179.514 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 40.2 tt0 -64.68 123.02 18.22 Favored 'General case' 0 CA--C 1.544 0.74 0 CA-C-N 119.041 1.42 . . . . 0.0 111.539 177.937 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' B' B ' 22' ' ' ARG . . . . . . . . . . . . . 99.3 mtt180 -78.13 -28.87 48.54 Favored 'General case' 0 N--CA 1.48 1.069 0 C-N-CA 124.314 1.046 . . . . 0.0 113.397 -177.611 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . 168.82 -23.39 0.1 Allowed Glycine 0 CA--C 1.534 1.219 0 C-N-CA 125.335 1.445 . . . . 0.0 114.513 177.517 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' B' B ' 24' ' ' DHI . . . . . 0.579 ' HD1' ' H ' ' B' ' 25' ' ' PHE . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 022 nuclear build full ' B' B ' 25' ' ' PHE . . . . . 0.579 ' H ' ' HD1' ' B' ' 24' ' ' DHI . 42.8 m-85 -71.02 162.32 29.63 Favored 'General case' 0 CA--C 1.544 0.719 0 C-N-CA 125.696 1.598 . . . . 0.0 113.494 -172.213 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' B' B ' 26' ' ' TYR . . . . . . . . . . . . . 56.3 m-85 -66.98 153.69 42.99 Favored 'General case' 0 CA--C 1.543 0.694 0 C-N-CA 124.518 1.127 . . . . 0.0 113.047 -178.391 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' B' B ' 27' ' ' THR . . . . . . . . . . . . . 39.8 p -77.05 -24.64 0.47 Allowed Pre-proline 0 N--CA 1.477 0.896 0 N-CA-C 117.816 2.524 . . . . 0.0 117.816 -175.426 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' B' B ' 28' ' ' PRO . . . . . . . . . . . . . 76.2 Cg_exo -59.89 142.88 99.42 Favored 'Trans proline' 0 C--N 1.356 0.94 0 C-N-CA 122.736 2.291 . . . . 0.0 113.919 179.957 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 8.9 ptpp? -155.79 155.6 33.31 Favored 'General case' 0 N--CA 1.471 0.607 0 C-N-CA 126.369 1.867 . . . . 0.0 110.658 -176.297 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' B' B ' 30' ' ' THR . . . . . . . . . . . . . 22.2 p . . . . . 0 C--O 1.253 1.262 0 C-N-CA 129.017 2.927 . . . . 0.0 112.773 -4.045 . . . . . . . . 0 0 . 1 . 023 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.482 1.701 0 N-CA-C 112.593 -0.203 . . . . 0.0 112.593 . . . . . . . . . 0 0 . 1 . 023 nuclear build full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 10.4 tt -51.46 -48.07 35.16 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.036 0 C-N-CA 125.667 1.587 . . . . 0.0 114.167 -175.435 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 9.3 p -63.29 -48.91 85.21 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.729 0 C-N-CA 122.982 0.513 . . . . 0.0 111.93 -169.292 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 16.9 pt-20 -68.95 -44.0 73.89 Favored 'General case' 0 CA--C 1.532 0.282 0 CA-C-O 118.708 -0.663 . . . . 0.0 110.387 174.283 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 16.1 tp60 -60.43 -42.18 95.52 Favored 'General case' 0 N--CA 1.467 0.38 0 CA-C-N 119.083 0.856 . . . . 0.0 112.748 -173.096 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 61.4 m -89.96 -25.99 20.61 Favored 'General case' 0 CA--C 1.543 0.681 0 N-CA-C 113.511 0.93 . . . . 0.0 113.511 -177.95 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 84.9 m -72.45 -26.46 61.84 Favored 'General case' 0 CA--C 1.549 0.916 0 O-C-N 121.0 -1.063 . . . . 0.0 112.654 169.242 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 1.4 t -98.47 -26.69 14.36 Favored 'General case' 0 N--CA 1.482 1.137 0 N-CA-C 114.565 1.32 . . . . 0.0 114.565 -177.367 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 52.7 m -140.25 163.93 31.43 Favored 'General case' 0 N--CA 1.477 0.876 0 C-N-CA 125.597 1.559 . . . . 0.0 112.002 179.547 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 46.0 mt -63.62 137.66 24.32 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.633 0 O-C-N 121.245 -0.91 . . . . 0.0 110.594 173.581 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 17.5 m -115.55 160.76 19.55 Favored 'General case' 0 CA--C 1.54 0.574 0 C-N-CA 124.933 1.293 . . . . 0.0 112.339 174.585 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 63.6 m -121.45 156.54 32.52 Favored 'General case' 0 N--CA 1.472 0.647 0 C-N-CA 125.731 1.612 . . . . 0.0 111.153 175.651 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 2.6 pt? -58.1 -30.7 66.47 Favored 'General case' 0 CA--C 1.54 0.594 0 N-CA-C 113.738 1.014 . . . . 0.0 113.738 -177.465 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 24.9 m-85 -65.02 -32.74 74.61 Favored 'General case' 0 CA--C 1.539 0.558 0 C-N-CA 124.597 1.159 . . . . 0.0 112.69 176.212 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 42.7 mt-30 -71.37 -42.63 68.19 Favored 'General case' 0 N--CA 1.469 0.476 0 C-N-CA 123.338 0.655 . . . . 0.0 110.122 173.375 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 64.9 mt -60.92 -37.34 81.94 Favored 'General case' 0 CA--C 1.541 0.634 0 C-N-CA 123.268 0.627 . . . . 0.0 112.67 176.594 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 45.6 mt-10 -65.34 -39.12 91.97 Favored 'General case' 0 N--CA 1.472 0.638 0 C-N-CA 123.438 0.695 . . . . 0.0 112.73 169.934 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 91.9 m-20 -67.7 -30.34 69.82 Favored 'General case' 0 CA--C 1.542 0.653 0 O-C-N 121.235 -0.916 . . . . 0.0 112.674 176.156 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 27.3 m-85 -75.05 -33.8 61.76 Favored 'General case' 0 N--CA 1.469 0.494 0 CA-C-N 118.996 0.816 . . . . 0.0 112.541 175.894 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 7.3 p -81.41 -40.43 23.43 Favored 'General case' 0 CA--C 1.543 0.684 0 N-CA-C 112.872 0.693 . . . . 0.0 112.872 178.007 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 19.2 p30 . . . . . 0 N--CA 1.473 0.695 0 C-N-CA 128.315 2.646 . . . . 0.0 114.883 176.577 . . . . . . . . 0 0 . 1 . 023 nuclear build full ' B' B ' 1' ' ' PHE . . . . . . . . . . . . . 38.8 t80 . . . . . 0 CA--C 1.542 0.647 0 N-CA-C 111.885 0.328 . . . . 0.0 111.885 . . . . . . . . . 0 0 . 1 . 023 nuclear build full ' B' B ' 2' ' ' VAL . . . . . . . . . . . . . 2.9 m -138.92 86.61 0.51 Allowed 'Isoleucine or valine' 0 N--CA 1.476 0.862 0 C-N-CA 124.86 1.264 . . . . 0.0 112.204 177.644 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' B' B ' 3' ' ' ASN . . . . . . . . . . . . . 28.1 m120 47.75 -132.78 1.33 Allowed 'General case' 0 CA--C 1.551 1.001 0 C-N-CA 125.954 1.702 . . . . 0.0 115.03 163.437 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' B' B ' 4' ' ' GLN . . . . . . . . . . . . 0.282 7.1 pt20 59.55 162.31 0.04 OUTLIER 'General case' 0 CA--C 1.545 0.766 1 C-N-CA 133.826 4.85 . . . . 0.0 117.938 177.212 . . . . . . . . 3 2 . 1 . 023 nuclear build full ' B' B ' 5' ' ' HIS . . . . . . . . . . . . . 52.6 m-70 -77.33 72.19 3.86 Favored 'General case' 0 CA--C 1.54 0.592 0 C-N-CA 126.606 1.962 . . . . 0.0 111.001 175.721 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 61.8 mt -61.81 125.32 23.41 Favored 'General case' 0 N--CA 1.469 0.495 0 C-N-CA 123.715 0.806 . . . . 0.0 111.462 -178.123 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' B' B ' 7' ' ' CYS . . . . . . . . . . . . . 11.0 t -145.68 156.0 43.35 Favored 'General case' 0 CA--C 1.54 0.588 0 C-N-CA 123.289 0.636 . . . . 0.0 112.314 -174.239 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' B' B ' 8' ' ' GLY . . . . . . . . . . . . . . . 58.4 -134.66 52.35 Favored Glycine 0 CA--C 1.535 1.291 0 C-N-CA 124.026 0.822 . . . . 0.0 113.306 177.881 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' B' B ' 9' ' ' SER . . . . . . . . . . . . . 36.0 p -59.35 -33.27 70.95 Favored 'General case' 0 N--CA 1.472 0.656 0 C-N-CA 124.132 0.973 . . . . 0.0 113.517 178.146 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' B' B ' 10' ' ' HIS . . . . . . . . . . . . . 27.7 m-70 -67.35 -35.36 79.21 Favored 'General case' 0 N--CA 1.472 0.649 0 CA-C-N 118.789 0.722 . . . . 0.0 112.092 178.674 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 39.2 tp -67.33 -41.73 84.75 Favored 'General case' 0 CA--C 1.539 0.546 0 C-N-CA 124.088 0.955 . . . . 0.0 111.913 174.89 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 76.5 t -66.68 -43.26 90.31 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.763 0 C-N-CA 123.908 0.883 . . . . 0.0 111.225 176.288 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 37.6 mt-10 -66.85 -40.9 88.06 Favored 'General case' 0 N--CA 1.47 0.557 0 O-C-N 121.412 -0.805 . . . . 0.0 112.311 176.739 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -64.6 -38.0 89.49 Favored 'General case' 0 CA--C 1.541 0.61 0 CA-C-N 119.135 0.879 . . . . 0.0 113.052 -178.592 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 2.4 pp -77.15 -35.12 56.33 Favored 'General case' 0 N--CA 1.469 0.513 0 O-C-N 121.74 -0.6 . . . . 0.0 111.201 178.171 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' B' B ' 16' ' ' TYR . . . . . . . . . . . . . 3.7 t80 -61.2 -39.84 91.73 Favored 'General case' 0 CA--C 1.54 0.596 0 C-N-CA 123.672 0.789 . . . . 0.0 111.532 172.067 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 31.3 mt -69.59 -45.61 68.21 Favored 'General case' 0 N--CA 1.465 0.299 0 C-N-CA 123.663 0.785 . . . . 0.0 112.232 -178.454 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' B' B ' 18' ' ' VAL . . . . . . . . . . . . . 9.5 p -75.27 -34.43 30.85 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.723 0 N-CA-C 112.359 0.503 . . . . 0.0 112.359 -178.145 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' B' B ' 19' ' ' CYS . . . . . . . . . . . . . 8.9 t -92.22 -34.34 14.32 Favored 'General case' 0 CA--C 1.542 0.643 0 N-CA-C 112.95 0.722 . . . . 0.0 112.95 -173.892 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . -94.82 21.71 42.02 Favored Glycine 0 CA--C 1.535 1.333 0 C-N-CA 126.223 1.868 . . . . 0.0 114.371 175.74 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -65.69 139.64 58.4 Favored 'General case' 0 CA--C 1.545 0.757 0 CA-C-N 118.798 1.299 . . . . 0.0 111.423 -179.657 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' B' B ' 22' ' ' ARG . . . . . . . . . . . . . 4.8 ptp180 -137.51 -13.43 1.52 Allowed 'General case' 0 N--CA 1.473 0.698 0 C-N-CA 126.38 1.872 . . . . 0.0 114.872 -169.65 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . 67.73 179.89 15.97 Favored Glycine 0 CA--C 1.538 1.49 0 C-N-CA 125.056 1.312 . . . . 0.0 114.446 -175.616 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' B' B ' 24' ' ' DHI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 023 nuclear build full ' B' B ' 25' ' ' PHE . . . . . . . . . . . . . 62.2 m-85 -72.92 148.17 44.59 Favored 'General case' 0 CA--C 1.541 0.611 0 C-N-CA 125.226 1.41 . . . . 0.0 113.638 -169.509 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' B' B ' 26' ' ' TYR . . . . . . . . . . . . . 65.4 m-85 -98.86 162.35 13.14 Favored 'General case' 0 CA--C 1.542 0.661 0 C-N-CA 125.313 1.445 . . . . 0.0 112.133 177.616 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' B' B ' 27' ' ' THR . . . . . . . . . . . . . 7.2 t -70.83 -29.56 1.51 Allowed Pre-proline 0 N--CA 1.479 1.007 0 N-CA-C 116.773 2.138 . . . . 0.0 116.773 -177.798 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' B' B ' 28' ' ' PRO . . . . . . . . . . . . . 44.6 Cg_exo -65.0 150.2 88.4 Favored 'Trans proline' 0 C--N 1.357 0.975 0 C-N-CA 122.674 2.25 . . . . 0.0 113.874 179.107 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 41.0 ttmt -145.45 -46.05 0.22 Allowed 'General case' 0 N--CA 1.479 1.001 0 C-N-CA 124.996 1.318 . . . . 0.0 112.904 178.059 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' B' B ' 30' ' ' THR . . . . . . . . . . . . . 18.9 p . . . . . 0 C--O 1.252 1.2 0 C-N-CA 125.883 1.673 . . . . 0.0 113.221 177.115 . . . . . . . . 0 0 . 1 . 024 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.649 0 N-CA-C 110.447 -1.061 . . . . 0.0 110.447 . . . . . . . . . 0 0 . 1 . 024 nuclear build full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 17.5 tt -64.45 -47.17 90.47 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.948 0 C-N-CA 124.042 0.937 . . . . 0.0 111.343 170.85 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 38.0 t -72.57 140.88 17.24 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.503 0 C-N-CA 124.018 0.927 . . . . 0.0 109.152 161.661 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . 0.258 10.1 mm-40 59.1 16.88 5.09 Favored 'General case' 0 CA--C 1.548 0.884 0 C-N-CA 126.077 1.751 . . . . 0.0 115.62 -164.4 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 8.6 tp-100 -102.56 -69.74 0.78 Allowed 'General case' 0 N--CA 1.468 0.469 0 N-CA-C 108.878 -0.786 . . . . 0.0 108.878 145.354 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 95.2 m -69.42 -27.87 65.65 Favored 'General case' 0 CA--C 1.542 0.646 0 N-CA-C 113.696 0.998 . . . . 0.0 113.696 -172.05 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 10.1 t -79.16 -16.05 57.19 Favored 'General case' 0 CA--C 1.549 0.909 0 N-CA-C 113.378 0.881 . . . . 0.0 113.378 -176.266 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 13.2 t -121.29 -25.75 5.17 Favored 'General case' 0 N--CA 1.479 1.024 0 C-N-CA 125.258 1.423 . . . . 0.0 113.504 -176.128 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 74.9 m -133.69 159.38 40.72 Favored 'General case' 0 N--CA 1.469 0.517 0 C-N-CA 126.262 1.825 . . . . 0.0 111.077 177.39 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 50.3 mt -63.6 137.07 25.35 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.567 0 O-C-N 121.605 -0.684 . . . . 0.0 109.992 172.941 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 17.2 p -129.54 166.8 18.96 Favored 'General case' 0 CA--C 1.543 0.698 0 C-N-CA 124.501 1.12 . . . . 0.0 111.763 174.47 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 70.7 m -119.41 156.89 29.29 Favored 'General case' 0 N--CA 1.473 0.722 0 C-N-CA 125.175 1.39 . . . . 0.0 112.314 -173.698 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 2.6 pt? -57.55 -30.97 65.66 Favored 'General case' 0 CA--C 1.54 0.581 0 C-N-CA 124.309 1.044 . . . . 0.0 113.495 179.789 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 23.9 m-85 -65.67 -34.5 78.36 Favored 'General case' 0 CA--C 1.538 0.515 0 C-N-CA 124.419 1.088 . . . . 0.0 112.417 175.432 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 44.7 mt-30 -72.59 -39.78 67.09 Favored 'General case' 0 N--CA 1.467 0.382 0 O-C-N 121.357 -0.839 . . . . 0.0 110.327 174.506 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 79.0 mt -58.39 -41.15 84.24 Favored 'General case' 0 CA--C 1.543 0.68 0 C-N-CA 122.91 0.484 . . . . 0.0 112.178 173.026 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 45.1 mt-10 -62.97 -35.5 80.36 Favored 'General case' 0 N--CA 1.474 0.766 0 N-CA-C 113.214 0.82 . . . . 0.0 113.214 171.723 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 12.6 m-80 -66.63 -30.98 71.38 Favored 'General case' 0 CA--C 1.542 0.656 0 O-C-N 121.254 -0.904 . . . . 0.0 112.528 174.291 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 30.9 m-85 -75.79 -30.66 59.15 Favored 'General case' 0 CA--C 1.543 0.675 0 CA-C-N 119.085 0.857 . . . . 0.0 112.73 172.691 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 71.3 m -70.25 -33.27 71.42 Favored 'General case' 0 CA--C 1.544 0.733 0 C-N-CA 123.692 0.797 . . . . 0.0 112.877 172.219 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 25.3 t-20 . . . . . 0 CA--C 1.544 0.735 0 C-N-CA 124.727 1.211 . . . . 0.0 112.619 -179.121 . . . . . . . . 0 0 . 1 . 024 nuclear build full ' B' B ' 1' ' ' PHE . . . . . . . . . . . . . 43.9 t80 . . . . . 0 CA--C 1.54 0.575 0 N-CA-C 112.083 0.401 . . . . 0.0 112.083 . . . . . . . . . 0 0 . 1 . 024 nuclear build full ' B' B ' 2' ' ' VAL . . . . . . . . . . . . . 20.3 m -135.61 139.26 46.76 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.698 0 C-N-CA 125.15 1.38 . . . . 0.0 109.607 164.266 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' B' B ' 3' ' ' ASN . . . . . . . . . . . . . 20.9 m120 -59.16 140.43 55.91 Favored 'General case' 0 N--CA 1.466 0.373 0 CA-C-O 121.802 0.811 . . . . 0.0 112.777 -179.617 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' B' B ' 4' ' ' GLN . . . . . . . . . . . . . 7.0 pt20 -169.37 162.63 10.41 Favored 'General case' 0 CA--C 1.538 0.49 0 C-N-CA 127.088 2.155 . . . . 0.0 108.563 -179.669 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' B' B ' 5' ' ' HIS . . . . . . . . . . . . . 26.6 m-70 -67.81 139.11 56.58 Favored 'General case' 0 CA--C 1.54 0.592 0 C-N-CA 123.841 0.856 . . . . 0.0 109.587 161.631 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 65.4 mt -136.31 131.34 34.22 Favored 'General case' 0 N--CA 1.472 0.629 0 C-N-CA 125.029 1.332 . . . . 0.0 110.735 -176.053 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' B' B ' 7' ' ' CYS . . . . . . . . . . . . . 3.8 t -151.84 156.61 40.53 Favored 'General case' 0 CA--C 1.538 0.494 0 N-CA-C 112.563 0.579 . . . . 0.0 112.563 -179.158 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' B' B ' 8' ' ' GLY . . . . . . . . . . . . . . . 56.96 -136.26 50.58 Favored Glycine 0 CA--C 1.534 1.234 0 C-N-CA 123.813 0.721 . . . . 0.0 112.855 -178.99 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' B' B ' 9' ' ' SER . . . . . . . . . . . . . 40.0 p -59.23 -31.73 69.32 Favored 'General case' 0 N--CA 1.471 0.59 0 N-CA-C 113.717 1.006 . . . . 0.0 113.717 178.575 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' B' B ' 10' ' ' HIS . . . . . . . . . . . . . 30.6 m170 -65.53 -36.38 83.64 Favored 'General case' 0 N--CA 1.473 0.693 0 CA-C-N 119.36 0.982 . . . . 0.0 112.232 176.649 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -65.06 -46.5 80.93 Favored 'General case' 0 CA--C 1.539 0.545 0 C-N-CA 123.998 0.919 . . . . 0.0 110.961 174.201 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 82.6 t -61.5 -45.23 99.08 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.718 0 C-N-CA 124.243 1.017 . . . . 0.0 111.293 177.774 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 45.5 mt-10 -63.15 -42.41 99.43 Favored 'General case' 0 N--CA 1.472 0.648 0 CA-C-N 118.959 0.8 . . . . 0.0 112.182 176.381 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -64.61 -36.46 84.3 Favored 'General case' 0 CA--C 1.541 0.624 0 N-CA-C 113.146 0.795 . . . . 0.0 113.146 -179.02 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' B' B ' 15' ' ' LEU . . . . . 0.449 ' HA ' HG12 ' B' ' 18' ' ' VAL . 3.2 pp -82.09 -34.98 29.09 Favored 'General case' 0 CA--C 1.536 0.44 0 O-C-N 121.762 -0.586 . . . . 0.0 111.111 178.049 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' B' B ' 16' ' ' TYR . . . . . . . . . . . . . 10.0 t80 -58.1 -38.29 76.17 Favored 'General case' 0 CA--C 1.539 0.552 0 C-N-CA 123.876 0.87 . . . . 0.0 111.736 171.125 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 32.1 mt -69.44 -46.67 66.2 Favored 'General case' 0 CA--C 1.534 0.345 0 C-N-CA 123.718 0.807 . . . . 0.0 112.502 178.742 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' B' B ' 18' ' ' VAL . . . . . 0.449 HG12 ' HA ' ' B' ' 15' ' ' LEU . 6.4 p -76.39 -29.34 18.73 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.773 0 N-CA-C 112.75 0.648 . . . . 0.0 112.75 -176.781 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' B' B ' 19' ' ' CYS . . . . . . . . . . . . . 84.5 m -99.89 -25.86 14.2 Favored 'General case' 0 CA--C 1.543 0.706 0 N-CA-C 114.215 1.191 . . . . 0.0 114.215 -175.228 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . 78.99 -15.87 9.68 Favored Glycine 0 CA--C 1.539 1.534 0 C-N-CA 125.897 1.713 . . . . 0.0 115.873 -179.414 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' B' B ' 21' ' ' GLU . . . . . 0.443 ' HG2' ' H ' ' B' ' 22' ' ' ARG . 5.3 tt0 56.68 -178.18 0.05 OUTLIER 'General case' 0 CA--C 1.556 1.201 0 C-N-CA 126.686 1.994 . . . . 0.0 114.172 -174.493 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' B' B ' 22' ' ' ARG . . . . . 0.443 ' H ' ' HG2' ' B' ' 21' ' ' GLU . 40.7 ptt180 -77.61 -17.51 57.73 Favored 'General case' 0 N--CA 1.481 1.123 0 C-N-CA 125.102 1.361 . . . . 0.0 114.582 179.544 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . -173.07 178.66 44.95 Favored Glycine 0 CA--C 1.534 1.227 0 C-N-CA 126.159 1.838 . . . . 0.0 112.173 -177.878 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' B' B ' 24' ' ' DHI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 024 nuclear build full ' B' B ' 25' ' ' PHE . . . . . . . . . . . . . 50.5 m-85 -58.29 159.47 6.06 Favored 'General case' 0 CA--C 1.543 0.699 0 C-N-CA 125.696 1.598 . . . . 0.0 114.268 -170.025 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' B' B ' 26' ' ' TYR . . . . . . . . . . . . . 23.4 m-85 -33.84 112.73 0.14 Allowed 'General case' 0 CA--C 1.542 0.659 0 C-N-CA 127.582 2.353 . . . . 0.0 115.915 -160.792 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' B' B ' 27' ' ' THR . . . . . . . . . . . . . 71.5 p -83.75 -20.77 0.28 Allowed Pre-proline 0 N--CA 1.475 0.821 0 N-CA-C 116.844 2.164 . . . . 0.0 116.844 176.231 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' B' B ' 28' ' ' PRO . . . . . . . . . . . . . 71.0 Cg_exo -61.86 156.01 51.29 Favored 'Trans proline' 0 C--N 1.357 0.974 0 C-N-CA 122.635 2.223 . . . . 0.0 114.37 175.934 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 22.7 tptm 62.55 -39.85 0.16 Allowed 'General case' 0 N--CA 1.484 1.274 0 C-N-CA 129.176 2.99 . . . . 0.0 116.954 178.298 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' B' B ' 30' ' ' THR . . . . . . . . . . . . . 34.4 m . . . . . 0 C--O 1.251 1.152 0 C-N-CA 125.775 1.63 . . . . 0.0 111.599 -175.956 . . . . . . . . 0 0 . 1 . 025 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.626 0 N-CA-C 112.402 -0.279 . . . . 0.0 112.402 . . . . . . . . . 0 0 . 1 . 025 nuclear build full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 14.6 tt -66.09 -42.19 90.93 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.894 0 C-N-CA 124.769 1.228 . . . . 0.0 114.177 -175.382 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 10.9 p -63.44 -48.99 84.56 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.883 0 O-C-N 121.332 -0.855 . . . . 0.0 112.299 -169.255 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 14.5 pt-20 -69.35 -5.77 25.49 Favored 'General case' 0 CA--C 1.544 0.729 0 C-N-CA 125.333 1.453 . . . . 0.0 114.167 176.104 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 91.8 mt-30 -102.98 -32.93 9.49 Favored 'General case' 0 CA--C 1.54 0.589 0 C-N-CA 125.091 1.356 . . . . 0.0 112.171 176.767 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 73.9 m -103.82 -18.63 14.57 Favored 'General case' 0 CA--C 1.544 0.738 0 N-CA-C 115.679 1.733 . . . . 0.0 115.679 179.64 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 3.7 m -81.78 -24.17 36.15 Favored 'General case' 0 N--CA 1.478 0.974 0 CA-C-N 120.457 1.48 . . . . 0.0 113.726 177.864 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 6.9 t -111.82 -12.22 13.84 Favored 'General case' 0 N--CA 1.481 1.087 0 C-N-CA 124.929 1.292 . . . . 0.0 113.869 -176.562 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 68.7 m -140.61 158.04 44.58 Favored 'General case' 0 N--CA 1.47 0.537 0 C-N-CA 126.372 1.869 . . . . 0.0 110.475 177.421 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 25.9 mt -66.07 139.12 21.76 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.657 0 C-N-CA 123.486 0.714 . . . . 0.0 111.75 -178.871 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 50.3 m -122.01 156.93 32.45 Favored 'General case' 0 CA--C 1.542 0.663 0 C-N-CA 125.334 1.454 . . . . 0.0 111.592 169.516 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 48.7 m -137.0 159.63 41.31 Favored 'General case' 0 N--CA 1.471 0.589 0 C-N-CA 126.499 1.92 . . . . 0.0 109.625 179.584 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 2.5 pt? -56.07 -33.76 65.33 Favored 'General case' 0 CA--C 1.542 0.663 0 N-CA-C 113.262 0.838 . . . . 0.0 113.262 -177.014 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 27.1 m-85 -64.26 -27.88 69.35 Favored 'General case' 0 CA--C 1.541 0.611 0 C-N-CA 125.039 1.336 . . . . 0.0 113.593 176.532 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 20.8 mm100 -86.53 -35.0 19.8 Favored 'General case' 0 N--CA 1.468 0.461 0 C-N-CA 124.637 1.175 . . . . 0.0 111.35 172.423 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 97.1 mt -65.38 -25.36 67.53 Favored 'General case' 0 CA--C 1.542 0.662 0 N-CA-C 113.087 0.773 . . . . 0.0 113.087 177.181 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 38.7 mt-10 -57.55 -27.26 62.49 Favored 'General case' 0 CA--C 1.544 0.721 0 N-CA-C 113.569 0.952 . . . . 0.0 113.569 167.801 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 75.4 m-20 -71.06 -29.34 65.2 Favored 'General case' 0 CA--C 1.541 0.633 0 CA-C-N 119.658 1.117 . . . . 0.0 112.238 179.345 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 33.9 m-85 -82.85 -26.97 31.14 Favored 'General case' 0 N--CA 1.473 0.68 0 C-N-CA 123.645 0.778 . . . . 0.0 112.227 173.809 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 31.7 t -70.37 -41.16 73.47 Favored 'General case' 0 CA--C 1.546 0.814 0 C-N-CA 124.602 1.161 . . . . 0.0 112.528 170.788 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 59.5 t-20 . . . . . 0 CA--C 1.543 0.689 0 C-N-CA 125.679 1.592 . . . . 0.0 111.541 -174.894 . . . . . . . . 0 0 . 1 . 025 nuclear build full ' B' B ' 1' ' ' PHE . . . . . . . . . . . . . 8.0 t80 . . . . . 0 CA--C 1.541 0.62 0 N-CA-C 111.597 0.221 . . . . 0.0 111.597 . . . . . . . . . 0 0 . 1 . 025 nuclear build full ' B' B ' 2' ' ' VAL . . . . . . . . . . . . . 29.8 m -134.59 141.67 42.72 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.921 0 C-N-CA 124.818 1.247 . . . . 0.0 110.951 169.512 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' B' B ' 3' ' ' ASN . . . . . . . . . . . . . 5.9 p-10 -57.1 139.39 52.55 Favored 'General case' 0 CA--C 1.534 0.341 0 C-N-CA 123.849 0.86 . . . . 0.0 112.854 176.59 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' B' B ' 4' ' ' GLN . . . . . . . . . . . . . 7.4 pt20 -169.76 156.93 6.62 Favored 'General case' 0 CA--C 1.535 0.393 0 C-N-CA 125.673 1.589 . . . . 0.0 110.228 179.934 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' B' B ' 5' ' ' HIS . . . . . . . . . . . . . 31.8 m80 -62.9 140.98 58.87 Favored 'General case' 0 CA--C 1.542 0.649 0 C-N-CA 123.907 0.883 . . . . 0.0 109.742 158.649 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 69.0 mt -137.84 134.76 35.5 Favored 'General case' 0 N--CA 1.472 0.628 0 C-N-CA 125.036 1.334 . . . . 0.0 111.623 -172.742 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' B' B ' 7' ' ' CYS . . . . . . . . . . . . . 86.5 m -139.81 158.49 44.01 Favored 'General case' 0 CA--C 1.539 0.557 0 C-N-CA 125.207 1.403 . . . . 0.0 112.635 179.36 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' B' B ' 8' ' ' GLY . . . . . . . . . . . . . . . 52.87 -131.8 40.66 Favored Glycine 0 CA--C 1.533 1.196 0 C-N-CA 124.556 1.074 . . . . 0.0 114.416 168.314 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' B' B ' 9' ' ' SER . . . . . . . . . . . . . 36.0 p -58.35 -34.82 71.07 Favored 'General case' 0 N--CA 1.471 0.594 0 C-N-CA 124.105 0.962 . . . . 0.0 113.402 177.846 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' B' B ' 10' ' ' HIS . . . . . . . . . . . . . 27.2 m-70 -68.48 -38.7 81.28 Favored 'General case' 0 N--CA 1.472 0.644 0 CA-C-N 119.061 0.846 . . . . 0.0 111.932 177.409 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 51.1 tp -66.62 -42.3 87.0 Favored 'General case' 0 N--CA 1.469 0.499 0 C-N-CA 124.244 1.018 . . . . 0.0 111.955 175.476 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 86.5 t -65.71 -47.4 86.11 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.779 0 C-N-CA 123.715 0.806 . . . . 0.0 111.069 175.673 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 38.2 mt-10 -64.91 -39.17 93.1 Favored 'General case' 0 N--CA 1.47 0.569 0 O-C-N 121.458 -0.776 . . . . 0.0 112.339 179.195 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -64.69 -37.03 86.21 Favored 'General case' 0 CA--C 1.54 0.576 0 O-C-N 121.302 -0.874 . . . . 0.0 113.102 -179.731 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 1.8 pp -81.02 -35.56 31.74 Favored 'General case' 0 N--CA 1.467 0.401 0 O-C-N 121.93 -0.481 . . . . 0.0 110.754 178.28 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' B' B ' 16' ' ' TYR . . . . . . . . . . . . . 7.7 t80 -59.96 -37.69 80.32 Favored 'General case' 0 CA--C 1.539 0.557 0 C-N-CA 124.347 1.059 . . . . 0.0 112.26 172.767 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 33.4 mt -69.28 -45.6 69.23 Favored 'General case' 0 N--CA 1.468 0.431 0 C-N-CA 123.942 0.897 . . . . 0.0 111.84 179.357 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' B' B ' 18' ' ' VAL . . . . . . . . . . . . . 5.3 p -73.54 -28.8 25.66 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.859 0 N-CA-C 112.621 0.6 . . . . 0.0 112.621 178.03 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' B' B ' 19' ' ' CYS . . . . . . . . . . . . . 2.0 t -77.48 -21.31 53.01 Favored 'General case' 0 N--CA 1.471 0.597 0 C-N-CA 124.216 1.006 . . . . 0.0 113.26 174.722 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . 73.32 26.33 70.63 Favored Glycine 0 CA--C 1.53 1.024 0 C-N-CA 124.159 0.885 . . . . 0.0 113.581 174.208 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 39.2 tt0 66.78 -40.39 0.37 Allowed 'General case' 0 N--CA 1.483 1.204 0 C-N-CA 128.444 2.698 . . . . 0.0 116.246 -179.949 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' B' B ' 22' ' ' ARG . . . . . . . . . . . . . 96.6 mtt180 -119.28 -28.48 5.4 Favored 'General case' 0 N--CA 1.48 1.072 0 C-N-CA 125.912 1.685 . . . . 0.0 113.357 -162.617 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . -69.41 174.8 34.18 Favored Glycine 0 CA--C 1.538 1.503 0 C-N-CA 124.273 0.939 . . . . 0.0 112.993 164.155 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' B' B ' 24' ' ' DHI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 025 nuclear build full ' B' B ' 25' ' ' PHE . . . . . . . . . . . . . 84.3 m-85 -66.6 168.19 9.7 Favored 'General case' 0 CA--C 1.546 0.792 0 C-N-CA 124.333 1.053 . . . . 0.0 112.506 172.877 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' B' B ' 26' ' ' TYR . . . . . . . . . . . . . 62.7 m-85 -54.84 140.13 37.65 Favored 'General case' 0 CA--C 1.541 0.6 0 C-N-CA 124.744 1.218 . . . . 0.0 113.978 -171.166 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' B' B ' 27' ' ' THR . . . . . . . . . . . . . 61.7 m -118.47 106.38 44.66 Favored Pre-proline 0 N--CA 1.476 0.841 0 C-N-CA 125.348 1.459 . . . . 0.0 109.627 178.531 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' B' B ' 28' ' ' PRO . . . . . . . . . . . . . 71.7 Cg_exo -58.67 148.86 80.25 Favored 'Trans proline' 0 CA--C 1.54 0.782 0 C-N-CA 123.621 2.88 . . . . 0.0 114.057 178.052 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 14.9 ptmm? -149.7 166.84 28.16 Favored 'General case' 0 N--CA 1.474 0.758 0 C-N-CA 126.007 1.723 . . . . 0.0 112.097 -179.657 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' B' B ' 30' ' ' THR . . . . . . . . . . . . . 20.4 p . . . . . 0 C--O 1.252 1.237 0 C-N-CA 125.731 1.612 . . . . 0.0 113.127 170.331 . . . . . . . . 0 0 . 1 . 026 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.666 0 N-CA-C 111.996 -0.442 . . . . 0.0 111.996 . . . . . . . . . 0 0 . 1 . 026 nuclear build full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 11.6 tt -77.74 -33.26 18.7 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.044 0 C-N-CA 124.711 1.204 . . . . 0.0 113.475 -178.768 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 40.0 t -56.23 139.87 15.05 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.83 0 C-N-CA 124.237 1.015 . . . . 0.0 110.027 169.838 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . 0.306 9.8 pt-20 48.75 24.07 0.76 Allowed 'General case' 0 CA--C 1.55 0.981 0 C-N-CA 126.422 1.889 . . . . 0.0 115.647 -169.411 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 18.2 mm-40 -112.09 -54.39 2.62 Favored 'General case' 0 N--CA 1.471 0.613 0 C-N-CA 124.764 1.226 . . . . 0.0 110.303 162.45 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 5.4 t -87.31 -6.15 58.63 Favored 'General case' 0 CA--C 1.55 0.953 0 N-CA-C 113.906 1.076 . . . . 0.0 113.906 172.993 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 49.1 t -92.62 -24.33 18.72 Favored 'General case' 0 CA--C 1.546 0.81 0 O-C-N 121.336 -0.853 . . . . 0.0 113.146 174.618 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 5.4 t -93.97 -28.9 15.53 Favored 'General case' 0 N--CA 1.481 1.108 0 C-N-CA 124.269 1.027 . . . . 0.0 113.209 176.858 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 74.4 m -139.27 162.21 35.56 Favored 'General case' 0 N--CA 1.47 0.547 0 C-N-CA 126.587 1.955 . . . . 0.0 110.758 179.426 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 57.4 mt -67.27 142.08 17.05 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.701 0 O-C-N 121.506 -0.746 . . . . 0.0 110.492 174.033 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 17.4 p -124.02 149.94 45.48 Favored 'General case' 0 CA--C 1.541 0.629 0 C-N-CA 124.278 1.031 . . . . 0.0 112.296 168.236 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 54.4 m -95.01 155.41 16.74 Favored 'General case' 0 N--CA 1.474 0.765 0 C-N-CA 124.85 1.26 . . . . 0.0 111.061 171.447 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 2.5 pt? -56.72 -31.04 64.12 Favored 'General case' 0 N--CA 1.474 0.775 0 N-CA-C 113.88 1.067 . . . . 0.0 113.88 178.519 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 26.3 m-85 -61.71 -20.89 63.98 Favored 'General case' 0 CA--C 1.544 0.731 0 C-N-CA 125.064 1.346 . . . . 0.0 113.717 174.74 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 30.3 mt-30 -98.56 -41.6 7.67 Favored 'General case' 0 N--CA 1.468 0.434 0 C-N-CA 126.5 1.92 . . . . 0.0 111.262 171.745 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . 0.256 0.1 OUTLIER -79.96 -25.79 40.25 Favored 'General case' 0 CA--C 1.549 0.918 0 C-N-CA 123.727 0.811 . . . . 0.0 112.688 -168.068 . . . . . . . . 3 3 . 1 . 026 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 39.0 mt-10 -68.64 -24.77 64.59 Favored 'General case' 0 N--CA 1.476 0.841 0 O-C-N 120.85 -1.156 . . . . 0.0 113.237 169.581 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 88.2 m-20 -61.32 -32.32 72.18 Favored 'General case' 0 N--CA 1.474 0.744 0 O-C-N 121.152 -0.967 . . . . 0.0 112.0 -179.857 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 74.5 m-85 -70.77 -19.84 62.67 Favored 'General case' 0 CA--C 1.541 0.6 0 N-CA-C 114.054 1.131 . . . . 0.0 114.054 175.274 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 42.7 t -80.13 -49.32 11.87 Favored 'General case' 0 CA--C 1.54 0.572 0 C-N-CA 123.498 0.719 . . . . 0.0 111.07 169.55 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 25.2 t-20 . . . . . 0 CA--C 1.541 0.619 0 C-N-CA 124.729 1.212 . . . . 0.0 111.525 178.171 . . . . . . . . 0 0 . 1 . 026 nuclear build full ' B' B ' 1' ' ' PHE . . . . . . . . . . . . . 73.6 t80 . . . . . 0 CA--C 1.54 0.559 0 N-CA-C 112.315 0.487 . . . . 0.0 112.315 . . . . . . . . . 0 0 . 1 . 026 nuclear build full ' B' B ' 2' ' ' VAL . . . . . . . . . . . . . 17.9 m -133.35 135.65 55.93 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.755 0 C-N-CA 125.277 1.431 . . . . 0.0 109.715 167.359 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' B' B ' 3' ' ' ASN . . . . . . . . . . . . . 8.5 m-20 -61.47 141.64 57.55 Favored 'General case' 0 CA--C 1.534 0.344 0 CA-C-O 122.114 0.959 . . . . 0.0 113.335 -172.388 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' B' B ' 4' ' ' GLN . . . . . . . . . . . . . 5.9 pt20 -169.58 171.11 7.76 Favored 'General case' 0 CA--C 1.54 0.585 0 C-N-CA 127.933 2.493 . . . . 0.0 107.863 177.63 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' B' B ' 5' ' ' HIS . . . . . . . . . . . . . 17.5 m-70 -78.24 132.72 37.65 Favored 'General case' 0 CA--C 1.541 0.608 0 C-N-CA 124.34 1.056 . . . . 0.0 110.382 164.059 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 3.1 mm? -122.44 142.41 50.58 Favored 'General case' 0 CA--C 1.539 0.552 0 C-N-CA 125.556 1.543 . . . . 0.0 111.109 175.014 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' B' B ' 7' ' ' CYS . . . . . . . . . . . . . 86.9 m -140.63 154.9 46.62 Favored 'General case' 0 CA--C 1.541 0.622 0 C-N-CA 124.465 1.106 . . . . 0.0 112.279 -173.551 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' B' B ' 8' ' ' GLY . . . . . . . . . . . . . . . 53.8 -133.58 44.03 Favored Glycine 0 CA--C 1.535 1.32 0 C-N-CA 124.437 1.018 . . . . 0.0 114.606 169.656 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' B' B ' 9' ' ' SER . . . . . . . . . . . . . 39.9 p -62.74 -30.48 71.46 Favored 'General case' 0 N--CA 1.472 0.655 0 N-CA-C 113.446 0.906 . . . . 0.0 113.446 176.359 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' B' B ' 10' ' ' HIS . . . . . . . . . . . . . 26.5 m-70 -69.49 -30.32 68.16 Favored 'General case' 0 N--CA 1.469 0.49 0 O-C-N 121.444 -0.785 . . . . 0.0 111.74 177.296 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 45.6 tp -68.93 -41.05 78.62 Favored 'General case' 0 CA--C 1.538 0.501 0 C-N-CA 124.179 0.992 . . . . 0.0 112.099 173.095 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 71.6 t -66.23 -43.21 91.9 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.787 0 C-N-CA 123.764 0.825 . . . . 0.0 111.015 176.487 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 40.4 mt-10 -66.59 -43.45 84.84 Favored 'General case' 0 N--CA 1.469 0.507 0 O-C-N 121.468 -0.77 . . . . 0.0 111.987 174.421 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -62.2 -39.51 93.01 Favored 'General case' 0 CA--C 1.537 0.454 0 CA-C-N 119.139 0.882 . . . . 0.0 112.735 179.753 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' B' B ' 15' ' ' LEU . . . . . 0.433 ' HA ' HG12 ' B' ' 18' ' ' VAL . 2.1 pp -74.22 -34.13 63.59 Favored 'General case' 0 N--CA 1.468 0.462 0 CA-C-N 118.938 0.79 . . . . 0.0 111.834 -179.747 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' B' B ' 16' ' ' TYR . . . . . . . . . . . . . 2.9 t80 -63.64 -44.64 93.28 Favored 'General case' 0 CA--C 1.541 0.621 0 C-N-CA 123.794 0.838 . . . . 0.0 111.14 171.177 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 47.3 mt -69.54 -44.13 71.56 Favored 'General case' 0 N--CA 1.469 0.498 0 C-N-CA 124.191 0.996 . . . . 0.0 112.635 -177.632 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' B' B ' 18' ' ' VAL . . . . . 0.433 HG12 ' HA ' ' B' ' 15' ' ' LEU . 5.3 p -74.58 -28.16 21.84 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.819 0 C-N-CA 123.106 0.562 . . . . 0.0 112.252 -178.447 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' B' B ' 19' ' ' CYS . . . . . . . . . . . . . 48.8 t -75.5 -37.76 59.95 Favored 'General case' 0 CA--C 1.536 0.412 0 C-N-CA 123.823 0.849 . . . . 0.0 112.434 172.198 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . 62.25 23.02 63.8 Favored Glycine 0 CA--C 1.537 1.432 0 O-C-N 121.687 -0.633 . . . . 0.0 113.336 -176.696 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 18.4 tt0 57.04 32.53 21.83 Favored 'General case' 0 CA--C 1.552 1.044 0 C-N-CA 125.925 1.69 . . . . 0.0 113.972 -173.267 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' B' B ' 22' ' ' ARG . . . . . . . . . . . . . 10.7 ptm180 -69.65 -10.94 60.25 Favored 'General case' 0 N--CA 1.481 1.087 0 N-CA-C 115.649 1.722 . . . . 0.0 115.649 -178.526 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . -63.33 154.31 45.0 Favored Glycine 0 CA--C 1.535 1.341 0 C-N-CA 124.553 1.073 . . . . 0.0 114.768 -173.713 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' B' B ' 24' ' ' DHI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 026 nuclear build full ' B' B ' 25' ' ' PHE . . . . . . . . . . . . . 51.0 m-85 -81.64 150.3 28.14 Favored 'General case' 0 CA--C 1.539 0.554 0 C-N-CA 126.565 1.946 . . . . 0.0 113.053 -167.816 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' B' B ' 26' ' ' TYR . . . . . . . . . . . . . 97.7 m-85 -82.92 113.43 20.51 Favored 'General case' 0 N--CA 1.468 0.468 0 C-N-CA 123.619 0.767 . . . . 0.0 110.743 170.858 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' B' B ' 27' ' ' THR . . . . . . . . . . . . . 44.9 m -140.91 108.48 6.41 Favored Pre-proline 0 N--CA 1.474 0.755 0 C-N-CA 124.795 1.238 . . . . 0.0 109.867 -178.065 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' B' B ' 28' ' ' PRO . . . . . . . . . . . . . 73.5 Cg_endo -70.3 154.27 65.72 Favored 'Trans proline' 0 CA--C 1.539 0.774 0 C-N-CA 122.954 2.436 . . . . 0.0 112.06 176.305 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 75.5 mmtt -134.12 154.79 50.98 Favored 'General case' 0 N--CA 1.474 0.768 0 C-N-CA 126.201 1.8 . . . . 0.0 111.21 -176.754 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' B' B ' 30' ' ' THR . . . . . . . . . . . . . 19.5 p . . . . . 0 C--O 1.252 1.232 0 C-N-CA 126.141 1.776 . . . . 0.0 113.249 178.012 . . . . . . . . 0 0 . 1 . 027 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.479 1.55 0 N-CA-C 110.711 -0.956 . . . . 0.0 110.711 . . . . . . . . . 0 0 . 1 . 027 nuclear build full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 11.6 tt -62.84 -42.25 95.68 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.787 0 N-CA-C 113.695 0.998 . . . . 0.0 113.695 -166.058 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 7.5 p -59.94 -45.19 95.51 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.705 0 C-N-CA 123.923 0.889 . . . . 0.0 111.642 178.604 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 34.6 tt0 -73.77 -32.48 63.82 Favored 'General case' 0 CA--C 1.539 0.535 0 O-C-N 121.172 -0.955 . . . . 0.0 112.68 179.851 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 74.2 mt-30 -75.38 -33.24 61.01 Favored 'General case' 0 CA--C 1.538 0.505 0 N-CA-C 113.399 0.889 . . . . 0.0 113.399 176.127 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 71.3 m -109.4 -31.39 7.55 Favored 'General case' 0 CA--C 1.549 0.909 0 N-CA-C 116.266 1.951 . . . . 0.0 116.266 -171.613 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 89.5 m -87.2 -26.77 23.37 Favored 'General case' 0 N--CA 1.479 0.991 0 CA-C-N 120.989 1.722 . . . . 0.0 113.797 -171.199 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 13.8 t -111.26 -17.34 13.19 Favored 'General case' 0 N--CA 1.482 1.142 0 C-N-CA 125.229 1.412 . . . . 0.0 113.504 -176.218 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 80.0 p -144.16 173.47 11.71 Favored 'General case' 0 CA--C 1.541 0.596 0 C-N-CA 126.405 1.882 . . . . 0.0 110.697 171.594 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 51.3 mt -73.81 139.27 19.65 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.74 0 O-C-N 121.185 -0.947 . . . . 0.0 111.321 -179.402 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 18.5 p -124.71 158.84 32.26 Favored 'General case' 0 CA--C 1.541 0.602 0 C-N-CA 124.65 1.18 . . . . 0.0 112.126 166.83 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 64.7 p -98.64 166.81 11.15 Favored 'General case' 0 N--CA 1.468 0.46 0 C-N-CA 124.659 1.184 . . . . 0.0 112.563 179.26 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 2.2 pp -57.99 -29.88 65.61 Favored 'General case' 0 CA--C 1.543 0.706 0 C-N-CA 123.439 0.695 . . . . 0.0 112.275 169.124 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 48.0 m-85 -73.95 -29.03 61.79 Favored 'General case' 0 CA--C 1.539 0.52 0 C-N-CA 123.93 0.892 . . . . 0.0 112.514 179.961 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 42.0 mt-30 -73.47 -42.83 61.4 Favored 'General case' 0 N--CA 1.468 0.444 0 C-N-CA 123.843 0.857 . . . . 0.0 111.167 172.257 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 98.9 mt -57.84 -34.54 69.81 Favored 'General case' 0 CA--C 1.545 0.779 0 N-CA-C 113.282 0.845 . . . . 0.0 113.282 176.378 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 41.7 mt-10 -61.25 -21.72 64.15 Favored 'General case' 0 N--CA 1.475 0.796 0 N-CA-C 113.99 1.107 . . . . 0.0 113.99 175.801 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 80.6 m-20 -71.75 -23.47 61.61 Favored 'General case' 0 CA--C 1.544 0.735 0 O-C-N 121.254 -0.904 . . . . 0.0 112.347 174.524 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 55.4 m-85 -102.08 -24.52 13.95 Favored 'General case' 0 N--CA 1.471 0.605 0 N-CA-C 114.924 1.453 . . . . 0.0 114.924 -171.055 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 19.2 p -73.69 -27.23 61.11 Favored 'General case' 0 CA--C 1.54 0.583 0 N-CA-C 114.752 1.39 . . . . 0.0 114.752 -174.102 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 57.6 t-20 . . . . . 0 CA--C 1.544 0.713 0 C-N-CA 126.22 1.808 . . . . 0.0 112.629 -174.205 . . . . . . . . 0 0 . 1 . 027 nuclear build full ' B' B ' 1' ' ' PHE . . . . . . . . . . . . . 43.6 t80 . . . . . 0 CA--C 1.542 0.664 0 N-CA-C 112.126 0.417 . . . . 0.0 112.126 . . . . . . . . . 0 0 . 1 . 027 nuclear build full ' B' B ' 2' ' ' VAL . . . . . . . . . . . . . 47.7 t -136.4 129.47 46.19 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.821 0 C-N-CA 125.419 1.488 . . . . 0.0 108.915 172.779 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' B' B ' 3' ' ' ASN . . . . . . . . . . . . . 75.6 m-20 -59.8 136.9 58.14 Favored 'General case' 0 N--CA 1.469 0.49 0 CA-C-O 121.149 0.499 . . . . 0.0 111.817 178.898 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' B' B ' 4' ' ' GLN . . . . . . . . . . . . . 6.7 pt20 -164.99 163.92 20.67 Favored 'General case' 0 CA--C 1.536 0.442 0 C-N-CA 125.194 1.397 . . . . 0.0 110.347 179.687 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' B' B ' 5' ' ' HIS . . . . . . . . . . . . . 21.1 m-70 -72.0 72.41 0.85 Allowed 'General case' 0 CA--C 1.549 0.906 0 C-N-CA 125.945 1.698 . . . . 0.0 111.635 171.621 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 74.0 mt -66.16 131.31 45.87 Favored 'General case' 0 N--CA 1.471 0.585 0 C-N-CA 124.629 1.171 . . . . 0.0 112.36 -178.11 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' B' B ' 7' ' ' CYS . . . . . . . . . . . . . 2.4 t -151.83 161.82 42.04 Favored 'General case' 0 CA--C 1.541 0.615 0 N-CA-C 112.951 0.723 . . . . 0.0 112.951 176.799 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' B' B ' 8' ' ' GLY . . . . . . . . . . . . . . . 57.76 -136.18 51.03 Favored Glycine 0 CA--C 1.534 1.236 0 C-N-CA 124.135 0.874 . . . . 0.0 113.12 178.165 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' B' B ' 9' ' ' SER . . . . . . . . . . . . . 25.5 m -57.65 -36.73 72.25 Favored 'General case' 0 N--CA 1.472 0.671 0 C-N-CA 123.795 0.838 . . . . 0.0 112.787 178.533 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' B' B ' 10' ' ' HIS . . . . . . . . . . . . . 32.4 m170 -62.99 -37.48 87.3 Favored 'General case' 0 N--CA 1.471 0.622 0 C-N-CA 123.644 0.778 . . . . 0.0 112.354 178.164 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 48.4 tp -68.2 -42.19 80.22 Favored 'General case' 0 CA--C 1.537 0.465 0 C-N-CA 124.068 0.947 . . . . 0.0 112.073 176.76 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 86.7 t -66.45 -43.8 90.83 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.741 0 C-N-CA 123.786 0.834 . . . . 0.0 111.022 176.538 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 42.7 mt-10 -64.5 -41.64 96.31 Favored 'General case' 0 N--CA 1.469 0.493 0 O-C-N 121.534 -0.729 . . . . 0.0 112.055 176.472 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -64.6 -36.5 84.45 Favored 'General case' 0 CA--C 1.543 0.673 0 N-CA-C 113.37 0.878 . . . . 0.0 113.37 -178.1 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' B' B ' 15' ' ' LEU . . . . . 0.422 ' HA ' HG12 ' B' ' 18' ' ' VAL . 3.8 pp -80.95 -31.2 35.0 Favored 'General case' 0 N--CA 1.47 0.555 0 O-C-N 121.56 -0.712 . . . . 0.0 112.208 178.83 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' B' B ' 16' ' ' TYR . . . . . . . . . . . . . 5.7 t80 -63.44 -39.63 94.99 Favored 'General case' 0 CA--C 1.542 0.667 0 C-N-CA 124.693 1.197 . . . . 0.0 111.12 169.561 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 36.7 mt -71.97 -48.61 43.79 Favored 'General case' 0 N--CA 1.466 0.367 0 C-N-CA 124.5 1.12 . . . . 0.0 112.856 178.076 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' B' B ' 18' ' ' VAL . . . . . 0.422 HG12 ' HA ' ' B' ' 15' ' ' LEU . 4.4 p -65.84 -32.78 59.68 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.812 0 CA-C-N 118.332 0.514 . . . . 0.0 112.029 -174.646 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' B' B ' 19' ' ' CYS . . . . . . . . . . . . . 84.0 m -93.07 -27.44 16.96 Favored 'General case' 0 CA--C 1.538 0.483 0 N-CA-C 113.351 0.871 . . . . 0.0 113.351 -179.689 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . 60.81 24.97 63.13 Favored Glycine 0 CA--C 1.533 1.186 0 C-N-CA 124.497 1.046 . . . . 0.0 114.473 173.226 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 40.2 tt0 -54.1 -30.74 49.73 Favored 'General case' 0 N--CA 1.48 1.025 0 N-CA-C 114.978 1.473 . . . . 0.0 114.978 -161.859 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' B' B ' 22' ' ' ARG . . . . . . . . . . . . . 3.9 ppt_? -78.46 -2.72 39.9 Favored 'General case' 0 N--CA 1.477 0.905 0 N-CA-C 115.657 1.725 . . . . 0.0 115.657 178.968 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . -79.55 18.54 6.92 Favored Glycine 0 CA--C 1.536 1.371 0 N-CA-C 116.68 1.432 . . . . 0.0 116.68 -171.656 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' B' B ' 24' ' ' DHI . . . . . 0.669 ' HD1' ' H ' ' B' ' 26' ' ' TYR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 027 nuclear build full ' B' B ' 25' ' ' PHE . . . . . . . . . . . . . 74.8 m-85 -77.73 -13.86 59.77 Favored 'General case' 0 N--CA 1.477 0.915 0 N-CA-C 114.846 1.425 . . . . 0.0 114.846 179.99 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' B' B ' 26' ' ' TYR . . . . . 0.669 ' H ' ' HD1' ' B' ' 24' ' ' DHI . 71.5 m-85 -115.2 137.54 51.91 Favored 'General case' 0 C--N 1.321 -0.658 0 C-N-CA 126.722 2.009 . . . . 0.0 112.434 -177.498 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' B' B ' 27' ' ' THR . . . . . . . . . . . . . 63.4 m -138.1 110.03 8.4 Favored Pre-proline 0 N--CA 1.475 0.819 0 C-N-CA 125.303 1.441 . . . . 0.0 109.745 177.134 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' B' B ' 28' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_exo -61.92 147.43 95.2 Favored 'Trans proline' 0 CA--C 1.541 0.828 0 C-N-CA 123.408 2.738 . . . . 0.0 113.335 174.489 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 22.4 tptm 62.23 149.33 0.02 OUTLIER 'General case' 0 N--CA 1.484 1.226 0 C-N-CA 128.132 2.573 . . . . 0.0 114.881 -175.173 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' B' B ' 30' ' ' THR . . . . . . . . . . . . . 27.1 m . . . . . 0 C--O 1.253 1.251 0 C-N-CA 126.592 1.957 . . . . 0.0 110.73 -179.825 . . . . . . . . 0 0 . 1 . 028 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.61 0 N-CA-C 110.248 -1.141 . . . . 0.0 110.248 . . . . . . . . . 0 0 . 1 . 028 nuclear build full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 5.1 tp -81.74 -43.42 19.84 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.036 0 C-N-CA 123.801 0.84 . . . . 0.0 110.88 165.935 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 44.3 t -65.86 153.76 8.17 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.702 0 C-N-CA 124.933 1.293 . . . . 0.0 110.132 165.709 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 39.5 mt-10 66.07 -60.31 0.3 Allowed 'General case' 0 N--CA 1.47 0.57 0 C-N-CA 127.828 2.451 . . . . 0.0 112.392 -161.59 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 3.5 mp0 -59.54 -40.58 87.71 Favored 'General case' 0 N--CA 1.474 0.748 0 CA-C-N 119.396 0.998 . . . . 0.0 113.69 -171.55 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 19.1 m -94.3 -4.7 48.25 Favored 'General case' 0 CA--C 1.546 0.823 0 N-CA-C 114.856 1.428 . . . . 0.0 114.856 174.716 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 51.2 t -99.92 -31.33 11.53 Favored 'General case' 0 CA--C 1.545 0.786 0 C-N-CA 125.166 1.386 . . . . 0.0 113.724 179.826 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 6.2 t -78.92 -20.46 49.3 Favored 'General case' 0 N--CA 1.479 0.977 0 C-N-CA 125.202 1.401 . . . . 0.0 113.352 -175.44 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 8.6 t -145.96 175.75 10.21 Favored 'General case' 0 CA--C 1.537 0.48 0 C-N-CA 126.126 1.771 . . . . 0.0 110.255 172.168 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 26.2 mt -61.26 138.02 22.63 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.65 0 C-N-CA 123.611 0.764 . . . . 0.0 110.886 176.18 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 6.6 t -136.27 143.75 44.41 Favored 'General case' 0 CA--C 1.54 0.569 0 C-N-CA 124.949 1.299 . . . . 0.0 111.378 177.722 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 40.0 m -125.46 160.16 30.15 Favored 'General case' 0 N--CA 1.473 0.679 0 C-N-CA 125.012 1.325 . . . . 0.0 112.254 -167.3 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 2.2 pp -57.56 -32.92 67.61 Favored 'General case' 0 N--CA 1.473 0.707 0 O-C-N 121.41 -0.806 . . . . 0.0 113.111 -174.424 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 52.5 m-85 -65.56 -23.02 66.75 Favored 'General case' 0 CA--C 1.54 0.585 0 C-N-CA 125.175 1.39 . . . . 0.0 113.392 177.434 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 40.7 mt-30 -82.55 -46.72 13.0 Favored 'General case' 0 N--CA 1.466 0.348 0 C-N-CA 124.747 1.219 . . . . 0.0 110.442 170.981 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 86.5 mt -56.22 -31.11 63.2 Favored 'General case' 0 N--CA 1.474 0.741 0 C-N-CA 125.049 1.34 . . . . 0.0 113.455 179.664 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 62.1 mt-10 -59.53 -27.02 65.82 Favored 'General case' 0 CA--C 1.544 0.72 0 N-CA-C 113.917 1.08 . . . . 0.0 113.917 175.029 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 43.7 m-80 -73.2 -29.71 63.01 Favored 'General case' 0 N--CA 1.473 0.692 0 O-C-N 121.18 -0.95 . . . . 0.0 111.967 175.658 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 83.4 m-85 -78.74 -31.93 46.52 Favored 'General case' 0 CA--C 1.541 0.608 0 C-N-CA 124.673 1.189 . . . . 0.0 111.643 174.358 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 41.3 t -64.84 -45.75 84.82 Favored 'General case' 0 CA--C 1.545 0.767 0 C-N-CA 124.422 1.089 . . . . 0.0 111.851 168.934 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 50.8 t-20 . . . . . 0 CA--C 1.543 0.691 0 C-N-CA 125.147 1.379 . . . . 0.0 111.456 179.308 . . . . . . . . 0 0 . 1 . 028 nuclear build full ' B' B ' 1' ' ' PHE . . . . . . . . . . . . . 42.3 t80 . . . . . 0 CA--C 1.541 0.634 0 N-CA-C 112.052 0.39 . . . . 0.0 112.052 . . . . . . . . . 0 0 . 1 . 028 nuclear build full ' B' B ' 2' ' ' VAL . . . . . . . . . . . . . 48.3 t -136.32 127.49 42.9 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.927 0 C-N-CA 125.363 1.465 . . . . 0.0 109.367 174.639 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' B' B ' 3' ' ' ASN . . . . . . . . . . . . . 38.6 m-20 -63.02 138.5 58.58 Favored 'General case' 0 N--CA 1.469 0.485 0 C-N-CA 123.094 0.557 . . . . 0.0 111.467 -179.539 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' B' B ' 4' ' ' GLN . . . . . . . . . . . . . 8.0 pt20 -165.54 163.55 19.41 Favored 'General case' 0 CA--C 1.532 0.28 0 C-N-CA 124.617 1.167 . . . . 0.0 110.792 -177.098 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' B' B ' 5' ' ' HIS . . . . . . . . . . . . . 24.4 m-70 -69.58 77.76 0.42 Allowed 'General case' 0 CA--C 1.544 0.745 0 C-N-CA 125.882 1.673 . . . . 0.0 110.238 164.79 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 42.3 mt -62.53 119.34 8.99 Favored 'General case' 0 N--CA 1.47 0.545 0 C-N-CA 124.931 1.293 . . . . 0.0 112.535 -172.755 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' B' B ' 7' ' ' CYS . . . . . . . . . . . . . 0.7 OUTLIER -163.56 178.72 7.76 Favored 'General case' 0 CA--C 1.542 0.651 0 C-N-CA 123.952 0.901 . . . . 0.0 111.564 -174.981 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' B' B ' 8' ' ' GLY . . . . . . . . . . . . . . . 61.03 37.62 94.18 Favored Glycine 0 N--CA 1.478 1.435 0 O-C-N 120.661 -1.275 . . . . 0.0 115.006 170.47 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' B' B ' 9' ' ' SER . . . . . . . . . . . . . 1.6 t 70.22 -8.82 0.81 Allowed 'General case' 0 N--CA 1.476 0.861 0 C-N-CA 128.653 2.781 . . . . 0.0 116.255 -172.426 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' B' B ' 10' ' ' HIS . . . . . . . . . . . . . 28.6 m-70 -62.11 -32.0 72.51 Favored 'General case' 0 N--CA 1.479 0.983 0 O-C-N 120.125 -1.61 . . . . 0.0 111.273 167.439 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 55.3 tp -58.33 -42.83 87.65 Favored 'General case' 0 CA--C 1.538 0.496 0 C-N-CA 125.634 1.574 . . . . 0.0 112.869 170.965 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 47.3 t -70.64 -43.19 77.77 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.664 0 C-N-CA 124.031 0.932 . . . . 0.0 110.337 179.508 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 45.3 mt-10 -63.89 -40.57 96.83 Favored 'General case' 0 N--CA 1.471 0.594 0 O-C-N 121.801 -0.562 . . . . 0.0 112.286 175.303 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -64.37 -39.17 93.35 Favored 'General case' 0 CA--C 1.541 0.632 0 O-C-N 121.346 -0.847 . . . . 0.0 112.935 179.559 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' B' B ' 15' ' ' LEU . . . . . 0.423 ' HA ' HG12 ' B' ' 18' ' ' VAL . 3.6 pp -79.62 -30.21 41.31 Favored 'General case' 0 N--CA 1.468 0.461 0 O-C-N 121.811 -0.555 . . . . 0.0 111.731 178.278 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' B' B ' 16' ' ' TYR . . . . . . . . . . . . . 3.6 t80 -62.34 -40.78 97.49 Favored 'General case' 0 CA--C 1.54 0.577 0 C-N-CA 123.814 0.845 . . . . 0.0 111.423 170.033 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 40.4 mt -67.94 -47.67 68.05 Favored 'General case' 0 N--CA 1.467 0.399 0 C-N-CA 123.284 0.634 . . . . 0.0 112.128 -179.499 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' B' B ' 18' ' ' VAL . . . . . 0.423 HG12 ' HA ' ' B' ' 15' ' ' LEU . 5.1 p -73.22 -27.39 24.02 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.953 0 N-CA-C 113.183 0.809 . . . . 0.0 113.183 -177.451 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' B' B ' 19' ' ' CYS . . . . . . . . . . . . . 6.5 t -90.43 -37.18 14.13 Favored 'General case' 0 CA--C 1.542 0.655 0 C-N-CA 124.009 0.924 . . . . 0.0 112.78 -179.624 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . -86.03 -22.08 50.27 Favored Glycine 0 CA--C 1.536 1.362 0 C-N-CA 124.959 1.266 . . . . 0.0 115.097 -178.076 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 33.3 tt0 -139.93 138.91 35.98 Favored 'General case' 0 N--CA 1.471 0.611 0 CA-C-N 118.86 1.33 . . . . 0.0 111.666 178.708 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' B' B ' 22' ' ' ARG . . . . . . . . . . . . . 24.2 mmm180 -112.02 -0.79 15.59 Favored 'General case' 0 N--CA 1.474 0.765 0 C-N-CA 125.582 1.553 . . . . 0.0 114.417 -178.078 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . -73.73 -57.91 4.73 Favored Glycine 0 CA--C 1.534 1.227 0 C-N-CA 125.026 1.298 . . . . 0.0 113.786 -176.862 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' B' B ' 24' ' ' DHI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 028 nuclear build full ' B' B ' 25' ' ' PHE . . . . . . . . . . . . . 39.7 m-85 -66.83 153.95 42.1 Favored 'General case' 0 CA--C 1.542 0.645 0 C-N-CA 124.785 1.234 . . . . 0.0 113.401 -173.663 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' B' B ' 26' ' ' TYR . . . . . . . . . . . . . 71.7 m-85 -66.46 144.13 56.68 Favored 'General case' 0 CA--C 1.541 0.603 0 C-N-CA 124.094 0.957 . . . . 0.0 112.641 -179.121 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' B' B ' 27' ' ' THR . . . . . . . . . . . . . 10.0 m 45.94 72.35 1.27 Allowed Pre-proline 0 N--CA 1.481 1.09 0 C-N-CA 126.78 2.032 . . . . 0.0 113.785 179.727 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' B' B ' 28' ' ' PRO . . . . . . . . . . . . . 52.6 Cg_exo -59.07 151.89 63.03 Favored 'Trans proline' 0 CA--C 1.54 0.782 0 C-N-CA 123.418 2.746 . . . . 0.0 113.552 176.874 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 32.3 mmmt -130.74 153.19 49.27 Favored 'General case' 0 N--CA 1.474 0.749 0 C-N-CA 126.331 1.852 . . . . 0.0 111.054 -179.688 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' B' B ' 30' ' ' THR . . . . . . . . . . . . . 14.8 t . . . . . 0 C--O 1.253 1.27 0 C-N-CA 126.509 1.923 . . . . 0.0 111.745 178.125 . . . . . . . . 0 0 . 1 . 029 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.482 1.711 0 N-CA-C 112.241 -0.344 . . . . 0.0 112.241 . . . . . . . . . 0 0 . 1 . 029 nuclear build full ' A' A ' 2' ' ' ILE . . . . . 0.439 HD13 ' CD2' ' A' ' 19' ' ' TYR . 4.7 tp -49.21 -43.5 16.23 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.067 0 C-N-CA 126.701 2.0 . . . . 0.0 114.814 -173.951 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 7.1 p -68.4 -46.25 80.9 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.872 0 O-C-N 121.264 -0.897 . . . . 0.0 111.968 178.62 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 41.4 tt0 -67.69 -29.15 68.35 Favored 'General case' 0 CA--C 1.543 0.697 0 C-N-CA 124.169 0.988 . . . . 0.0 112.525 177.682 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 6.3 tp-100 -63.35 -40.02 96.13 Favored 'General case' 0 CA--C 1.538 0.496 0 C-N-CA 124.213 1.005 . . . . 0.0 112.178 175.954 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 90.6 m -119.18 -25.22 6.21 Favored 'General case' 0 CA--C 1.544 0.722 0 N-CA-C 116.183 1.92 . . . . 0.0 116.183 -164.377 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 19.9 t -81.37 -30.36 33.74 Favored 'General case' 0 CA--C 1.543 0.71 0 CA-C-N 119.904 1.229 . . . . 0.0 113.012 -170.775 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 10.7 t -101.22 -18.43 16.15 Favored 'General case' 0 N--CA 1.479 0.996 0 C-N-CA 125.153 1.381 . . . . 0.0 113.895 -176.586 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 8.3 t -151.85 167.61 27.75 Favored 'General case' 0 N--CA 1.472 0.648 0 C-N-CA 125.556 1.542 . . . . 0.0 111.303 179.324 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 25.1 mt -61.01 139.15 20.79 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.599 0 C-N-CA 124.322 1.049 . . . . 0.0 111.3 178.389 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 14.4 p -132.55 167.99 19.03 Favored 'General case' 0 CA--C 1.543 0.701 0 C-N-CA 124.193 0.997 . . . . 0.0 112.194 168.794 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 65.4 m -129.19 159.1 37.11 Favored 'General case' 0 N--CA 1.474 0.75 0 C-N-CA 124.8 1.24 . . . . 0.0 112.559 -173.401 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 2.0 pp -58.33 -31.98 68.06 Favored 'General case' 0 N--CA 1.472 0.639 0 C-N-CA 124.081 0.953 . . . . 0.0 113.113 -175.611 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 51.2 m-85 -66.43 -22.12 66.22 Favored 'General case' 0 CA--C 1.54 0.56 0 C-N-CA 125.251 1.421 . . . . 0.0 113.312 177.315 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 38.6 mt-30 -85.69 -40.65 15.92 Favored 'General case' 0 N--CA 1.467 0.413 0 C-N-CA 124.765 1.226 . . . . 0.0 110.8 172.153 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 83.7 mt -60.84 -32.33 71.73 Favored 'General case' 0 CA--C 1.544 0.74 0 C-N-CA 123.491 0.716 . . . . 0.0 112.663 173.728 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 5.0 mm-40 -58.27 -29.49 65.84 Favored 'General case' 0 N--CA 1.473 0.682 0 C-N-CA 124.723 1.209 . . . . 0.0 113.437 171.85 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 83.9 m-20 -69.82 -34.55 73.83 Favored 'General case' 0 CA--C 1.54 0.576 0 O-C-N 120.889 -1.132 . . . . 0.0 111.527 176.773 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 19' ' ' TYR . . . . . 0.439 ' CD2' HD13 ' A' ' 2' ' ' ILE . 38.6 m-85 -78.45 -27.96 46.53 Favored 'General case' 0 CA--C 1.541 0.62 0 C-N-CA 124.095 0.958 . . . . 0.0 112.367 174.795 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 41.0 t -63.84 -36.93 85.52 Favored 'General case' 0 CA--C 1.546 0.809 0 C-N-CA 123.884 0.874 . . . . 0.0 112.091 167.799 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 CA--C 1.541 0.599 0 C-N-CA 124.676 1.19 . . . . 0.0 112.044 176.543 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' B' B ' 1' ' ' PHE . . . . . . . . . . . . . 37.6 t80 . . . . . 0 CA--C 1.541 0.611 0 N-CA-C 111.994 0.368 . . . . 0.0 111.994 . . . . . . . . . 0 0 . 1 . 029 nuclear build full ' B' B ' 2' ' ' VAL . . . . . . . . . . . . . 48.3 t -137.75 131.55 43.15 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.838 0 C-N-CA 125.497 1.519 . . . . 0.0 108.652 170.193 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' B' B ' 3' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -56.94 137.88 54.81 Favored 'General case' 0 N--CA 1.47 0.551 0 N-CA-C 113.232 0.826 . . . . 0.0 113.232 177.6 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' B' B ' 4' ' ' GLN . . . . . . . . . . . . . 7.7 pt20 -168.55 160.98 11.33 Favored 'General case' 0 N--CA 1.45 -0.449 0 C-N-CA 126.605 1.962 . . . . 0.0 108.934 -177.963 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' B' B ' 5' ' ' HIS . . . . . . . . . . . . . 14.9 m80 -61.2 135.83 57.87 Favored 'General case' 0 CA--C 1.541 0.629 0 C-N-CA 124.701 1.201 . . . . 0.0 109.593 161.753 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 63.0 mt -139.46 130.03 25.78 Favored 'General case' 0 N--CA 1.471 0.593 0 C-N-CA 124.963 1.305 . . . . 0.0 110.572 -176.663 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' B' B ' 7' ' ' CYS . . . . . . . . . . . . . 3.0 t -149.53 161.28 42.45 Favored 'General case' 0 CA--C 1.54 0.583 0 C-N-CA 123.41 0.684 . . . . 0.0 112.454 178.765 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' B' B ' 8' ' ' GLY . . . . . . . . . . . . . . . 57.46 -138.34 48.23 Favored Glycine 0 CA--C 1.533 1.211 0 C-N-CA 124.112 0.863 . . . . 0.0 113.07 179.574 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' B' B ' 9' ' ' SER . . . . . . . . . . . . . 21.4 m -57.61 -32.73 67.51 Favored 'General case' 0 N--CA 1.472 0.636 0 C-N-CA 123.958 0.903 . . . . 0.0 113.296 179.447 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' B' B ' 10' ' ' HIS . . . . . . . . . . . . . 29.1 m-70 -67.34 -36.69 81.94 Favored 'General case' 0 N--CA 1.473 0.705 0 O-C-N 121.528 -0.732 . . . . 0.0 112.025 177.885 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 41.3 tp -68.5 -41.93 79.32 Favored 'General case' 0 N--CA 1.469 0.478 0 C-N-CA 123.58 0.752 . . . . 0.0 111.945 174.393 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 85.8 t -62.8 -45.32 99.15 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.794 0 C-N-CA 123.752 0.821 . . . . 0.0 110.888 175.794 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 37.8 mt-10 -64.82 -40.6 95.48 Favored 'General case' 0 CA--C 1.537 0.46 0 O-C-N 121.625 -0.672 . . . . 0.0 112.229 176.77 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -62.49 -39.96 95.18 Favored 'General case' 0 CA--C 1.542 0.669 0 CA-C-N 119.133 0.878 . . . . 0.0 112.826 178.112 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' B' B ' 15' ' ' LEU . . . . . 0.408 ' HA ' HG12 ' B' ' 18' ' ' VAL . 3.5 pp -78.76 -27.06 44.63 Favored 'General case' 0 CA--C 1.54 0.559 0 O-C-N 121.805 -0.56 . . . . 0.0 112.476 178.04 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' B' B ' 16' ' ' TYR . . . . . . . . . . . . . 1.5 t80 -67.09 -40.99 87.07 Favored 'General case' 0 CA--C 1.537 0.472 0 C-N-CA 123.774 0.829 . . . . 0.0 111.708 169.204 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 39.2 mt -67.77 -44.25 77.9 Favored 'General case' 0 CA--C 1.535 0.393 0 O-C-N 121.413 -0.804 . . . . 0.0 112.127 -178.901 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' B' B ' 18' ' ' VAL . . . . . 0.408 HG12 ' HA ' ' B' ' 15' ' ' LEU . 4.8 p -72.59 -32.81 42.77 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.729 0 C-N-CA 122.834 0.453 . . . . 0.0 112.154 -179.441 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' B' B ' 19' ' ' CYS . . . . . . . . . . . . . 9.1 t -89.35 -40.66 12.62 Favored 'General case' 0 CA--C 1.539 0.556 0 C-N-CA 123.493 0.717 . . . . 0.0 112.897 -175.033 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . -80.39 -24.11 59.54 Favored Glycine 0 CA--C 1.533 1.21 0 C-N-CA 124.695 1.141 . . . . 0.0 114.284 176.885 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 2.7 mm-40 52.19 -164.96 0.06 Allowed 'General case' 0 CA--C 1.553 1.08 0 C-N-CA 126.067 1.747 . . . . 0.0 113.358 179.983 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' B' B ' 22' ' ' ARG . . . . . . . . . . . . . 13.1 ptm180 -64.31 -16.81 62.9 Favored 'General case' 0 N--CA 1.477 0.878 0 O-C-N 120.103 -1.623 . . . . 0.0 114.321 175.084 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . -80.04 -21.86 64.63 Favored Glycine 0 CA--C 1.533 1.192 0 C-N-CA 125.186 1.374 . . . . 0.0 115.432 -178.539 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' B' B ' 24' ' ' DHI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 029 nuclear build full ' B' B ' 25' ' ' PHE . . . . . . . . . . . . . 26.9 m-85 -67.89 165.01 18.5 Favored 'General case' 0 CA--C 1.544 0.745 0 C-N-CA 124.634 1.174 . . . . 0.0 113.022 -177.139 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' B' B ' 26' ' ' TYR . . . . . . . . . . . . . 69.6 m-85 -63.39 144.19 57.18 Favored 'General case' 0 CA--C 1.539 0.549 0 C-N-CA 123.769 0.828 . . . . 0.0 112.673 -179.758 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' B' B ' 27' ' ' THR . . . . . . . . . . . . . 95.7 m -123.55 107.84 31.59 Favored Pre-proline 0 N--CA 1.475 0.8 0 C-N-CA 125.023 1.329 . . . . 0.0 110.178 178.238 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' B' B ' 28' ' ' PRO . . . . . . . . . . . . . 77.4 Cg_exo -60.62 146.37 97.22 Favored 'Trans proline' 0 CA--C 1.538 0.723 0 C-N-CA 123.43 2.753 . . . . 0.0 113.397 174.928 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 22.6 ptmt -151.05 159.24 44.65 Favored 'General case' 0 N--CA 1.475 0.811 0 C-N-CA 125.865 1.666 . . . . 0.0 112.222 -179.184 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' B' B ' 30' ' ' THR . . . . . . . . . . . . 0.324 13.3 t . . . . . 0 N--CA 1.485 1.281 0 C-N-CA 128.08 2.552 . . . . 0.0 114.273 -179.701 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.478 0.967 0 N-CA-C 113.6 0.963 . . . . 0.0 113.6 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 7.2 p -61.89 -41.79 92.13 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.751 0 C-N-CA 124.123 0.969 . . . . 0.0 112.635 178.479 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 41.2 mt-10 -68.83 -54.09 17.78 Favored 'General case' 0 C--N 1.331 -0.207 0 C-N-CA 123.938 0.895 . . . . 0.0 109.641 174.735 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 18.6 mm100 -54.36 -45.77 72.85 Favored 'General case' 0 CA--C 1.536 0.41 0 C-N-CA 124.384 1.074 . . . . 0.0 112.453 -175.874 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 75.1 m -87.51 -13.5 42.87 Favored 'General case' 0 CA--C 1.538 0.504 0 N-CA-C 114.944 1.461 . . . . 0.0 114.944 -177.516 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 8.3 t -98.37 -20.13 17.34 Favored 'General case' 0 CA--C 1.548 0.875 0 CA-C-N 119.585 1.084 . . . . 0.0 113.045 174.514 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 1.5 t -94.17 -26.95 16.47 Favored 'General case' 0 N--CA 1.478 0.973 0 C-N-CA 125.294 1.438 . . . . 0.0 113.347 174.186 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 67.8 m -135.83 162.55 32.48 Favored 'General case' 0 N--CA 1.473 0.699 0 C-N-CA 126.504 1.922 . . . . 0.0 110.956 176.238 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 53.4 mt -67.57 139.44 20.9 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.729 0 O-C-N 121.301 -0.875 . . . . 0.0 111.486 -179.279 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 57.6 m -125.46 111.51 15.18 Favored 'General case' 0 CA--C 1.535 0.393 0 C-N-CA 124.482 1.113 . . . . 0.0 110.918 168.084 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 3.7 t -72.88 169.99 15.68 Favored 'General case' 0 N--CA 1.468 0.431 0 C-N-CA 123.681 0.793 . . . . 0.0 111.305 167.0 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 2.3 pt? -57.67 -31.0 65.9 Favored 'General case' 0 CA--C 1.542 0.657 0 O-C-N 121.502 -0.749 . . . . 0.0 111.954 170.806 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 26.6 m-85 -68.47 -20.81 64.64 Favored 'General case' 0 N--CA 1.471 0.608 0 C-N-CA 124.28 1.032 . . . . 0.0 113.519 177.984 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 40.2 mt-30 -93.41 -48.32 6.46 Favored 'General case' 0 N--CA 1.468 0.443 0 C-N-CA 125.84 1.656 . . . . 0.0 111.093 174.724 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 95.7 mt -58.61 -35.26 72.18 Favored 'General case' 0 N--CA 1.47 0.552 0 C-N-CA 124.776 1.23 . . . . 0.0 113.6 -178.689 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -60.45 -33.1 72.06 Favored 'General case' 0 N--CA 1.471 0.608 0 N-CA-C 113.749 1.018 . . . . 0.0 113.749 -179.516 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 43.9 m-80 -61.71 -35.96 79.55 Favored 'General case' 0 N--CA 1.472 0.636 0 C-N-CA 123.346 0.658 . . . . 0.0 111.971 178.434 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 96.9 m-85 -75.05 -11.31 60.07 Favored 'General case' 0 CA--C 1.54 0.56 0 N-CA-C 114.581 1.326 . . . . 0.0 114.581 -176.994 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 10.1 t -73.8 -25.08 59.93 Favored 'General case' 0 CA--C 1.546 0.817 0 CA-C-N 118.763 0.71 . . . . 0.0 112.704 174.083 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 25.2 t-20 . . . . . 0 CA--C 1.543 0.691 0 C-N-CA 124.643 1.177 . . . . 0.0 112.264 179.69 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' B' B ' 1' ' ' PHE . . . . . . . . . . . . . 6.5 t80 . . . . . 0 CA--C 1.542 0.652 0 CA-C-O 120.9 0.381 . . . . 0.0 111.902 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' B' B ' 2' ' ' VAL . . . . . . . . . . . . . 7.5 p -145.71 145.83 19.98 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.801 0 C-N-CA 124.821 1.248 . . . . 0.0 111.103 169.336 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 3' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -62.7 130.57 45.56 Favored 'General case' 0 N--CA 1.451 -0.42 0 N-CA-C 113.98 1.104 . . . . 0.0 113.98 -172.647 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 4' ' ' GLN . . . . . . . . . . . . . 7.3 pt20 -162.78 153.11 16.45 Favored 'General case' 0 CA--C 1.537 0.444 0 C-N-CA 125.022 1.329 . . . . 0.0 111.045 -179.539 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 5' ' ' HIS . . . . . . . . . . . . . 31.9 m-70 -71.57 145.03 49.32 Favored 'General case' 0 CA--C 1.541 0.606 0 C-N-CA 124.629 1.171 . . . . 0.0 109.992 161.413 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 70.4 mt -139.71 139.03 36.46 Favored 'General case' 0 N--CA 1.47 0.565 0 C-N-CA 125.656 1.582 . . . . 0.0 111.397 -172.741 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 7' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -136.2 154.17 51.02 Favored 'General case' 0 CA--C 1.542 0.668 0 C-N-CA 124.356 1.062 . . . . 0.0 111.469 -178.272 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 8' ' ' GLY . . . . . . . . . . . . . . . 49.37 -123.89 13.11 Favored Glycine 0 CA--C 1.537 1.457 0 C-N-CA 124.576 1.084 . . . . 0.0 115.37 168.251 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 9' ' ' SER . . . . . . . . . . . . . 35.2 p -62.8 -38.28 90.07 Favored 'General case' 0 N--CA 1.471 0.589 0 C-N-CA 124.866 1.266 . . . . 0.0 113.544 179.138 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 10' ' ' HIS . . . . . . . . . . . . . 32.1 m170 -61.6 -40.23 94.05 Favored 'General case' 0 N--CA 1.471 0.613 0 O-C-N 121.408 -0.807 . . . . 0.0 111.451 174.929 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 58.9 tp -70.45 -46.82 63.1 Favored 'General case' 0 CA--C 1.534 0.358 0 C-N-CA 124.367 1.067 . . . . 0.0 112.65 178.187 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 1.7 p -67.49 -36.51 76.58 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.719 0 CA-C-N 118.094 0.406 . . . . 0.0 111.996 -176.362 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 42.0 mt-10 -68.52 -41.18 80.31 Favored 'General case' 0 CA--C 1.536 0.438 0 O-C-N 121.691 -0.631 . . . . 0.0 112.127 172.471 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -63.19 -37.24 86.44 Favored 'General case' 0 CA--C 1.545 0.772 0 O-C-N 121.131 -0.981 . . . . 0.0 113.145 -179.291 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 4.2 pp -79.77 -28.64 40.33 Favored 'General case' 0 N--CA 1.472 0.667 0 O-C-N 121.608 -0.682 . . . . 0.0 112.671 176.914 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 16' ' ' TYR . . . . . . . . . . . . . 2.5 t80 -65.7 -38.4 89.14 Favored 'General case' 0 CA--C 1.541 0.604 0 C-N-CA 123.574 0.749 . . . . 0.0 111.636 169.259 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 26.6 mt -71.8 -41.28 68.47 Favored 'General case' 0 N--CA 1.467 0.406 0 C-N-CA 123.978 0.911 . . . . 0.0 112.291 -175.249 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 18' ' ' VAL . . . . . . . . . . . . . 10.8 p -71.54 -34.48 53.02 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.689 0 C-N-CA 122.904 0.481 . . . . 0.0 111.821 175.112 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 19' ' ' CYS . . . . . . . . . . . . . 16.3 t -77.26 -34.91 55.65 Favored 'General case' 0 CA--C 1.541 0.609 0 N-CA-C 113.404 0.89 . . . . 0.0 113.404 -179.607 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.538 1.492 0 C-N-CA 124.487 1.042 . . . . 0.0 114.184 -174.972 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 18.3 tt . . . . . 0 N--CA 1.475 0.806 0 N-CA-C 114.002 1.112 . . . . 0.0 114.002 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 7.5 p -58.52 -46.24 89.91 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.135 0 C-N-CA 124.351 1.06 . . . . 0.0 112.278 -179.825 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 24.4 pt-20 -76.03 6.42 5.28 Favored 'General case' 0 N--CA 1.475 0.807 0 C-N-CA 127.052 2.141 . . . . 0.0 114.666 179.257 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 29.0 mm-40 -122.49 -38.85 2.61 Favored 'General case' 0 N--CA 1.468 0.436 0 C-N-CA 124.983 1.313 . . . . 0.0 112.116 172.855 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 82.5 m -99.97 -36.26 9.44 Favored 'General case' 0 CA--C 1.535 0.397 0 C-N-CA 124.439 1.096 . . . . 0.0 113.095 -173.201 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 79.5 m -82.35 -19.05 40.03 Favored 'General case' 0 N--CA 1.476 0.84 0 CA-C-N 119.28 0.945 . . . . 0.0 112.18 177.168 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 39.3 p -93.47 -36.17 12.59 Favored 'General case' 0 N--CA 1.473 0.7 0 C-N-CA 126.452 1.901 . . . . 0.0 113.315 -177.36 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 74.5 m -150.24 -177.25 5.83 Favored 'General case' 0 N--CA 1.472 0.653 0 C-N-CA 127.03 2.132 . . . . 0.0 110.728 -171.21 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 17.7 mt -70.3 132.23 33.42 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.568 0 O-C-N 120.887 -1.133 . . . . 0.0 109.369 162.228 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 31.6 p -113.65 147.69 37.67 Favored 'General case' 0 CA--C 1.537 0.475 0 C-N-CA 124.913 1.285 . . . . 0.0 110.789 168.675 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 23.7 m -88.19 162.29 16.77 Favored 'General case' 0 N--CA 1.47 0.545 0 C-N-CA 123.457 0.703 . . . . 0.0 112.348 -170.943 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 7.6 mp -49.53 -48.21 48.39 Favored 'General case' 0 N--CA 1.47 0.553 0 C-N-CA 125.142 1.377 . . . . 0.0 111.551 175.795 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 33.9 m-85 -61.79 -38.64 88.86 Favored 'General case' 0 CA--C 1.536 0.427 0 C-N-CA 124.997 1.319 . . . . 0.0 112.282 -178.104 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 46.3 mt-30 -69.62 -47.17 64.36 Favored 'General case' 0 N--CA 1.467 0.409 0 O-C-N 121.641 -0.662 . . . . 0.0 110.484 176.706 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 63.5 mt -58.94 -38.52 79.19 Favored 'General case' 0 CA--C 1.544 0.718 0 C-N-CA 123.239 0.615 . . . . 0.0 112.55 176.347 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 37.3 mt-10 -66.06 -33.99 77.06 Favored 'General case' 0 CA--C 1.544 0.715 0 C-N-CA 123.597 0.759 . . . . 0.0 112.899 174.317 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 9.7 m-80 -62.31 -25.52 67.92 Favored 'General case' 0 N--CA 1.474 0.768 0 O-C-N 120.747 -1.22 . . . . 0.0 112.555 173.679 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 44.8 m-85 -84.16 -14.41 50.28 Favored 'General case' 0 CA--C 1.54 0.584 0 N-CA-C 113.808 1.04 . . . . 0.0 113.808 178.219 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 6.2 p -90.7 -36.26 14.44 Favored 'General case' 0 CA--C 1.543 0.687 0 CA-C-N 119.182 0.901 . . . . 0.0 112.431 165.984 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 49.7 t-20 . . . . . 0 CA--C 1.541 0.629 0 C-N-CA 125.413 1.485 . . . . 0.0 111.542 179.711 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' B' B ' 1' ' ' PHE . . . . . . . . . . . . . 53.7 t80 . . . . . 0 CA--C 1.542 0.658 0 N-CA-C 112.137 0.421 . . . . 0.0 112.137 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' B' B ' 2' ' ' VAL . . . . . . . . . . . . . 48.1 t -135.23 126.66 46.09 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.896 0 C-N-CA 125.301 1.441 . . . . 0.0 109.352 174.293 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 3' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -63.98 146.44 54.09 Favored 'General case' 0 N--CA 1.467 0.401 0 N-CA-C 113.898 1.073 . . . . 0.0 113.898 179.64 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 4' ' ' GLN . . . . . . . . . . . . . 6.1 pt20 -165.91 165.22 18.32 Favored 'General case' 0 CA--C 1.539 0.536 0 C-N-CA 128.468 2.707 . . . . 0.0 107.467 -177.254 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 5' ' ' HIS . . . . . 0.53 ' H ' ' CD2' ' B' ' 5' ' ' HIS . 2.8 m-70 -62.38 131.81 50.51 Favored 'General case' 0 N--CA 1.47 0.569 0 C-N-CA 124.848 1.259 . . . . 0.0 109.403 167.714 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 34.6 mt -144.65 132.26 21.03 Favored 'General case' 0 N--CA 1.469 0.522 0 C-N-CA 125.249 1.42 . . . . 0.0 110.681 -168.114 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 7' ' ' CYS . . . . . . . . . . . . . 1.5 t -148.18 163.67 36.27 Favored 'General case' 0 CA--C 1.539 0.557 0 N-CA-C 113.062 0.764 . . . . 0.0 113.062 177.155 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 8' ' ' GLY . . . . . . . . . . . . . . . 58.19 -138.1 49.21 Favored Glycine 0 CA--C 1.534 1.256 0 C-N-CA 124.184 0.897 . . . . 0.0 113.389 178.491 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 9' ' ' SER . . . . . . . . . . . . . 42.3 p -59.12 -32.27 69.69 Favored 'General case' 0 N--CA 1.472 0.655 0 C-N-CA 124.046 0.938 . . . . 0.0 113.516 177.796 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 10' ' ' HIS . . . . . . . . . . . . . 25.2 m-70 -67.14 -35.86 80.62 Favored 'General case' 0 N--CA 1.469 0.513 0 O-C-N 121.552 -0.718 . . . . 0.0 111.675 177.842 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 2.4 tm? -71.83 -40.76 68.85 Favored 'General case' 0 CA--C 1.539 0.534 0 C-N-CA 124.896 1.278 . . . . 0.0 112.261 175.792 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 84.1 t -62.97 -43.35 98.99 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.943 0 C-N-CA 123.295 0.638 . . . . 0.0 111.354 174.162 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 38.8 mt-10 -68.04 -41.54 81.92 Favored 'General case' 0 CA--C 1.538 0.512 0 O-C-N 121.536 -0.728 . . . . 0.0 112.276 174.108 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -61.96 -41.76 98.35 Favored 'General case' 0 CA--C 1.537 0.449 0 O-C-N 121.149 -0.969 . . . . 0.0 113.162 -179.338 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 15' ' ' LEU . . . . . 0.404 ' HA ' HG12 ' B' ' 18' ' ' VAL . 2.6 pp -71.72 -34.38 69.53 Favored 'General case' 0 N--CA 1.468 0.458 0 CA-C-N 118.79 0.723 . . . . 0.0 111.426 178.974 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 16' ' ' TYR . . . . . . . . . . . . . 1.5 t80 -62.75 -42.5 99.71 Favored 'General case' 0 CA--C 1.541 0.61 0 C-N-CA 123.939 0.895 . . . . 0.0 111.435 171.669 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 43.6 mt -71.51 -44.56 64.43 Favored 'General case' 0 N--CA 1.469 0.479 0 C-N-CA 124.563 1.145 . . . . 0.0 112.703 -177.54 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 18' ' ' VAL . . . . . 0.404 HG12 ' HA ' ' B' ' 15' ' ' LEU . 9.3 p -73.45 -29.32 27.12 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.831 0 C-N-CA 123.038 0.535 . . . . 0.0 112.183 -179.104 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 19' ' ' CYS . . . . . . . . . . . . . 35.8 t -75.86 -34.1 60.04 Favored 'General case' 0 CA--C 1.539 0.535 0 C-N-CA 124.085 0.954 . . . . 0.0 112.544 171.291 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.084 0 N-CA-C 111.366 -0.694 . . . . 0.0 111.366 -166.275 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 1.1 tp . . . . . 0 N--CA 1.481 1.095 0 N-CA-C 113.402 0.89 . . . . 0.0 113.402 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 18.5 t -62.48 -46.68 95.81 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.295 0 O-C-N 120.701 -1.249 . . . . 0.0 110.687 178.993 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 17.7 pt-20 -69.16 5.77 1.14 Allowed 'General case' 0 CA--C 1.549 0.916 0 C-N-CA 126.201 1.8 . . . . 0.0 115.346 175.714 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 24.5 mm-40 -127.56 -31.05 2.52 Favored 'General case' 0 N--CA 1.473 0.721 0 C-N-CA 124.777 1.231 . . . . 0.0 113.296 174.691 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 67.4 m -110.27 -19.65 12.92 Favored 'General case' 0 CA--C 1.543 0.693 0 N-CA-C 115.698 1.74 . . . . 0.0 115.698 179.31 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 48.2 t -103.96 -37.51 7.36 Favored 'General case' 0 N--CA 1.476 0.845 0 CA-C-N 119.571 1.078 . . . . 0.0 113.165 -179.535 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 4.8 t -74.8 -24.6 58.67 Favored 'General case' 0 N--CA 1.481 1.114 0 O-C-N 121.552 -0.717 . . . . 0.0 112.749 176.099 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 8.7 t -151.22 168.82 23.55 Favored 'General case' 0 CA--C 1.538 0.498 0 C-N-CA 126.463 1.905 . . . . 0.0 110.323 172.753 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 47.5 mt -67.7 142.71 16.15 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.741 0 C-N-CA 124.512 1.125 . . . . 0.0 111.663 -177.867 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 9.4 p -133.1 169.86 16.24 Favored 'General case' 0 CA--C 1.546 0.791 0 C-N-CA 124.925 1.29 . . . . 0.0 111.863 167.311 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 34.3 m -113.58 159.64 19.4 Favored 'General case' 0 N--CA 1.474 0.769 0 C-N-CA 125.46 1.504 . . . . 0.0 111.418 -178.388 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 2.6 pt? -57.68 -30.92 65.86 Favored 'General case' 0 CA--C 1.542 0.657 0 N-CA-C 113.559 0.948 . . . . 0.0 113.559 177.205 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 25.5 m-85 -64.83 -25.3 67.85 Favored 'General case' 0 CA--C 1.539 0.55 0 C-N-CA 124.71 1.204 . . . . 0.0 113.292 175.197 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 19.4 mm100 -80.14 -46.28 16.7 Favored 'General case' 0 N--CA 1.467 0.41 0 C-N-CA 123.982 0.913 . . . . 0.0 110.655 171.11 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 81.4 mt -53.76 -33.45 55.84 Favored 'General case' 0 N--CA 1.474 0.77 0 C-N-CA 124.933 1.293 . . . . 0.0 113.758 179.65 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 39.5 mt-10 -57.73 -22.48 46.8 Favored 'General case' 0 N--CA 1.478 0.973 0 N-CA-C 114.436 1.273 . . . . 0.0 114.436 175.649 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 44.8 m-80 -81.18 -33.56 32.94 Favored 'General case' 0 N--CA 1.47 0.556 0 CA-C-N 119.156 0.889 . . . . 0.0 112.111 177.643 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 94.0 m-85 -75.27 -15.99 60.48 Favored 'General case' 0 N--CA 1.472 0.653 0 C-N-CA 124.332 1.053 . . . . 0.0 113.57 -176.559 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 32.9 t -65.76 -25.34 67.22 Favored 'General case' 0 CA--C 1.548 0.868 0 C-N-CA 124.054 0.942 . . . . 0.0 112.552 166.518 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 15.8 p30 . . . . . 0 CA--C 1.54 0.575 0 C-N-CA 126.189 1.796 . . . . 0.0 111.632 -171.486 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' B' B ' 1' ' ' PHE . . . . . . . . . . . . . 34.0 t80 . . . . . 0 CA--C 1.54 0.562 0 N-CA-C 111.89 0.33 . . . . 0.0 111.89 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' B' B ' 2' ' ' VAL . . . . . . . . . . . . . 17.7 m -135.89 136.0 50.24 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.744 0 C-N-CA 125.082 1.353 . . . . 0.0 110.216 167.475 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 3' ' ' ASN . . . . . . . . . . . . . 10.9 m-20 -63.19 143.02 58.15 Favored 'General case' 0 CA--C 1.535 0.385 0 CA-C-O 121.794 0.806 . . . . 0.0 112.387 -178.85 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 4' ' ' GLN . . . . . . . . . . . . . 6.9 pt20 -167.87 163.53 13.95 Favored 'General case' 0 CA--C 1.537 0.457 0 C-N-CA 126.627 1.971 . . . . 0.0 109.089 -177.827 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 5' ' ' HIS . . . . . . . . . . . . . 30.4 m-70 -72.62 72.53 1.03 Allowed 'General case' 0 CA--C 1.545 0.769 0 C-N-CA 125.206 1.402 . . . . 0.0 111.369 170.66 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 70.9 mt -62.24 135.99 57.73 Favored 'General case' 0 N--CA 1.47 0.56 0 C-N-CA 124.942 1.297 . . . . 0.0 111.447 178.295 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 7' ' ' CYS . . . . . . . . . . . . . 0.9 OUTLIER -148.41 157.69 43.63 Favored 'General case' 0 N--CA 1.47 0.573 0 N-CA-C 113.235 0.828 . . . . 0.0 113.235 -177.599 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 8' ' ' GLY . . . . . . . . . . . . . . . 54.16 -133.95 45.13 Favored Glycine 0 CA--C 1.533 1.213 0 C-N-CA 124.23 0.919 . . . . 0.0 113.584 174.863 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 9' ' ' SER . . . . . . . . . . . . . 25.4 m -57.14 -36.67 70.99 Favored 'General case' 0 N--CA 1.473 0.683 0 C-N-CA 123.891 0.876 . . . . 0.0 112.97 178.152 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 10' ' ' HIS . . . . . . . . . . . . . 31.2 m170 -64.97 -34.52 78.62 Favored 'General case' 0 N--CA 1.472 0.668 0 C-N-CA 123.539 0.736 . . . . 0.0 112.464 178.548 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 31.6 tp -71.03 -40.08 71.95 Favored 'General case' 0 CA--C 1.539 0.522 0 C-N-CA 124.08 0.952 . . . . 0.0 111.945 176.161 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 77.6 t -66.06 -43.29 92.47 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.746 0 C-N-CA 123.711 0.804 . . . . 0.0 111.135 174.176 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 44.7 mt-10 -64.06 -42.45 97.0 Favored 'General case' 0 N--CA 1.47 0.546 0 O-C-N 121.541 -0.725 . . . . 0.0 112.106 175.814 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -63.4 -39.27 94.04 Favored 'General case' 0 CA--C 1.543 0.676 0 O-C-N 121.315 -0.865 . . . . 0.0 113.136 -179.09 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 3.9 pp -77.17 -30.62 55.03 Favored 'General case' 0 N--CA 1.47 0.53 0 O-C-N 121.726 -0.609 . . . . 0.0 112.099 177.138 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 16' ' ' TYR . . . . . . . . . . . . . 1.8 t80 -63.93 -41.86 97.53 Favored 'General case' 0 CA--C 1.539 0.553 0 C-N-CA 123.544 0.738 . . . . 0.0 111.563 170.333 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 36.2 mt -69.02 -44.1 73.44 Favored 'General case' 0 N--CA 1.467 0.375 0 C-N-CA 124.066 0.946 . . . . 0.0 112.308 -177.373 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 18' ' ' VAL . . . . . . . . . . . . . 5.6 p -72.8 -30.48 33.1 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.75 0 N-CA-C 112.307 0.484 . . . . 0.0 112.307 179.61 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 19' ' ' CYS . . . . . . . . . . . . . 9.2 t -81.66 -29.04 33.27 Favored 'General case' 0 CA--C 1.542 0.646 0 N-CA-C 113.312 0.856 . . . . 0.0 113.312 177.405 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.539 1.543 0 C-N-CA 124.996 1.284 . . . . 0.0 114.208 -173.064 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 9.8 tt . . . . . 0 N--CA 1.48 1.06 0 N-CA-C 114.393 1.257 . . . . 0.0 114.393 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 15.7 t -57.97 -51.37 71.42 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.923 0 C-N-CA 123.915 0.886 . . . . 0.0 111.403 -165.884 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 12.4 pt-20 -92.36 19.63 6.93 Favored 'General case' 0 N--CA 1.477 0.878 0 C-N-CA 125.438 1.495 . . . . 0.0 113.628 178.13 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 20.7 mm-40 -120.13 -18.73 8.0 Favored 'General case' 0 N--CA 1.472 0.634 0 C-N-CA 124.887 1.275 . . . . 0.0 112.745 170.017 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 56.1 m -115.95 -29.36 6.37 Favored 'General case' 0 CA--C 1.54 0.57 0 C-N-CA 126.707 2.003 . . . . 0.0 112.357 175.162 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 2.3 t -100.95 170.82 8.03 Favored 'General case' 0 CA--C 1.542 0.643 0 N-CA-C 107.831 -1.174 . . . . 0.0 107.831 155.144 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER 60.65 -33.08 0.07 Allowed 'General case' 0 N--CA 1.484 1.24 0 C-N-CA 127.812 2.445 . . . . 0.0 115.446 -163.644 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 22.7 m -147.49 160.87 42.12 Favored 'General case' 0 N--CA 1.469 0.521 0 C-N-CA 127.396 2.278 . . . . 0.0 111.057 171.807 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 68.4 mt -70.59 145.22 12.94 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.796 0 C-N-CA 125.276 1.43 . . . . 0.0 111.887 -178.337 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 15.3 p -127.67 174.56 8.99 Favored 'General case' 0 CA--C 1.544 0.724 0 C-N-CA 124.959 1.303 . . . . 0.0 112.442 166.896 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 66.9 m -123.34 166.37 15.43 Favored 'General case' 0 N--CA 1.472 0.665 0 C-N-CA 125.913 1.685 . . . . 0.0 112.022 -176.987 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 2.4 pt? -52.87 -33.71 51.19 Favored 'General case' 0 N--CA 1.471 0.619 0 C-N-CA 123.916 0.887 . . . . 0.0 113.331 174.116 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 28.6 m-85 -60.02 -26.91 66.46 Favored 'General case' 0 CA--C 1.542 0.644 0 C-N-CA 124.992 1.317 . . . . 0.0 113.561 177.266 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 29.6 mm100 -88.98 -46.75 8.64 Favored 'General case' 0 N--CA 1.468 0.46 0 C-N-CA 124.489 1.116 . . . . 0.0 111.41 171.703 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 52.4 mt -61.53 -34.93 76.36 Favored 'General case' 0 CA--C 1.544 0.736 0 C-N-CA 123.698 0.799 . . . . 0.0 113.061 -176.857 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 36.4 mt-10 -69.82 -10.75 59.61 Favored 'General case' 0 CA--C 1.547 0.828 0 C-N-CA 125.166 1.386 . . . . 0.0 114.312 174.112 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 80.3 m-20 -92.83 -34.65 13.76 Favored 'General case' 0 CA--C 1.543 0.682 0 C-N-CA 124.139 0.976 . . . . 0.0 112.397 170.711 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 33.0 m-85 -74.21 -24.99 59.41 Favored 'General case' 0 N--CA 1.474 0.735 0 N-CA-C 113.602 0.964 . . . . 0.0 113.602 -174.555 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 24.9 p -68.73 -26.43 65.25 Favored 'General case' 0 CA--C 1.544 0.719 0 C-N-CA 124.619 1.168 . . . . 0.0 114.09 173.996 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 CA--C 1.545 0.779 0 C-N-CA 127.715 2.406 . . . . 0.0 113.723 -178.562 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 1' ' ' PHE . . . . . . . . . . . . . 70.0 t80 . . . . . 0 CA--C 1.543 0.689 0 N-CA-C 112.352 0.501 . . . . 0.0 112.352 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' B' B ' 2' ' ' VAL . . . . . . . . . . . . . 50.8 t -135.52 128.35 47.6 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.84 0 C-N-CA 125.564 1.546 . . . . 0.0 108.924 172.591 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 3' ' ' ASN . . . . . . . . . . . . . 26.0 m120 -60.05 139.55 57.39 Favored 'General case' 0 CA--C 1.535 0.39 0 CA-C-O 121.71 0.767 . . . . 0.0 112.878 -178.801 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 4' ' ' GLN . . . . . . . . . . . . . 6.5 pt20 -167.34 157.99 11.37 Favored 'General case' 0 CA--C 1.536 0.408 0 C-N-CA 126.668 1.987 . . . . 0.0 109.042 179.428 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 5' ' ' HIS . . . . . . . . . . . . . 39.4 m-70 -67.5 137.48 55.84 Favored 'General case' 0 N--CA 1.468 0.453 0 C-N-CA 123.061 0.545 . . . . 0.0 110.011 163.859 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 71.9 mt -133.86 124.61 26.77 Favored 'General case' 0 N--CA 1.465 0.324 0 C-N-CA 125.697 1.599 . . . . 0.0 109.823 -176.16 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 7' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -140.8 153.47 45.84 Favored 'General case' 0 CA--C 1.54 0.592 0 C-N-CA 124.015 0.926 . . . . 0.0 111.924 -169.972 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 8' ' ' GLY . . . . . . . . . . . . . . . 52.63 -132.16 39.7 Favored Glycine 0 CA--C 1.536 1.377 0 C-N-CA 124.039 0.828 . . . . 0.0 113.907 174.65 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 9' ' ' SER . . . . . . . . . . . . . 25.4 m -61.12 -33.06 72.79 Favored 'General case' 0 N--CA 1.474 0.744 0 O-C-N 121.74 -0.859 . . . . 0.0 113.224 177.896 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 10' ' ' HIS . . . . . . . . . . . . . 30.5 m170 -65.94 -32.99 74.8 Favored 'General case' 0 N--CA 1.473 0.706 0 C-N-CA 123.661 0.785 . . . . 0.0 112.334 178.168 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 54.2 tp -67.5 -44.44 78.47 Favored 'General case' 0 CA--C 1.537 0.466 0 C-N-CA 124.157 0.983 . . . . 0.0 111.917 174.452 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 63.2 t -65.19 -41.79 92.55 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.724 0 C-N-CA 124.028 0.931 . . . . 0.0 110.929 177.511 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 21.9 mm-40 -65.75 -45.61 81.94 Favored 'General case' 0 N--CA 1.468 0.435 0 O-C-N 121.64 -0.663 . . . . 0.0 111.991 174.834 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -63.14 -40.05 96.46 Favored 'General case' 0 CA--C 1.538 0.512 0 O-C-N 121.359 -0.838 . . . . 0.0 113.095 -176.794 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 3.8 pp -73.18 -34.66 66.12 Favored 'General case' 0 N--CA 1.469 0.509 0 CA-C-N 118.768 0.713 . . . . 0.0 111.791 177.758 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 16' ' ' TYR . . . . . . . . . . . . . 0.6 OUTLIER -61.75 -46.61 88.85 Favored 'General case' 0 CA--C 1.536 0.411 0 C-N-CA 123.194 0.598 . . . . 0.0 110.839 171.867 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 43.9 mt -68.05 -41.35 82.16 Favored 'General case' 0 CA--C 1.536 0.407 0 C-N-CA 124.125 0.97 . . . . 0.0 112.738 -175.74 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 18' ' ' VAL . . . . . . . . . . . . . 4.3 p -77.96 -28.12 15.23 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.744 0 N-CA-C 112.842 0.682 . . . . 0.0 112.842 -177.362 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 19' ' ' CYS . . . . . . . . . . . . . 47.2 t -99.11 -33.81 10.64 Favored 'General case' 0 CA--C 1.541 0.606 0 N-CA-C 114.52 1.304 . . . . 0.0 114.52 -176.198 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.539 1.555 0 C-N-CA 124.655 1.121 . . . . 0.0 114.19 -170.785 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 15.0 tt . . . . . 0 N--CA 1.482 1.172 0 N-CA-C 114.078 1.14 . . . . 0.0 114.078 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 3.9 p -56.17 -38.0 52.16 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.932 0 C-N-CA 124.302 1.041 . . . . 0.0 112.35 175.365 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 34.0 mt-10 -78.32 -2.94 40.54 Favored 'General case' 0 N--CA 1.476 0.849 0 C-N-CA 125.473 1.509 . . . . 0.0 114.182 177.051 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 16.8 tp60 -105.69 -30.11 9.66 Favored 'General case' 0 CA--C 1.54 0.594 0 C-N-CA 125.171 1.388 . . . . 0.0 112.492 170.351 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -126.51 -12.16 6.16 Favored 'General case' 0 CA--C 1.547 0.846 0 N-CA-C 116.538 2.051 . . . . 0.0 116.538 -167.465 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 48.5 t -102.04 -30.28 11.28 Favored 'General case' 0 N--CA 1.476 0.863 0 CA-C-N 119.766 1.166 . . . . 0.0 112.13 172.575 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 30.8 p -70.81 -38.6 73.31 Favored 'General case' 0 N--CA 1.474 0.765 0 C-N-CA 125.932 1.693 . . . . 0.0 112.386 175.124 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 75.6 m -146.46 168.24 21.66 Favored 'General case' 0 N--CA 1.468 0.425 0 C-N-CA 128.335 2.654 . . . . 0.0 109.746 177.384 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 71.6 mt -61.21 140.75 18.4 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.774 0 C-N-CA 123.529 0.732 . . . . 0.0 110.396 172.149 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 4.9 p -121.89 153.65 38.15 Favored 'General case' 0 CA--C 1.54 0.565 0 C-N-CA 123.627 0.771 . . . . 0.0 112.059 164.37 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 50.4 m -92.59 156.62 16.99 Favored 'General case' 0 N--CA 1.47 0.566 0 C-N-CA 124.44 1.096 . . . . 0.0 110.581 172.264 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 1.8 pp -58.52 -31.85 68.29 Favored 'General case' 0 N--CA 1.471 0.587 0 O-C-N 121.526 -0.734 . . . . 0.0 112.627 -178.3 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 41.4 m-85 -65.57 -24.39 67.08 Favored 'General case' 0 CA--C 1.542 0.668 0 C-N-CA 124.848 1.259 . . . . 0.0 113.729 178.094 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 39.2 mt-30 -85.49 -41.63 15.17 Favored 'General case' 0 N--CA 1.47 0.565 0 C-N-CA 125.111 1.365 . . . . 0.0 111.022 171.398 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . 0.258 0.1 OUTLIER -67.67 -26.17 66.07 Favored 'General case' 0 CA--C 1.557 1.22 0 C-N-CA 124.088 0.955 . . . . 0.0 111.501 178.697 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 31.8 mt-10 -64.83 -20.85 66.62 Favored 'General case' 0 N--CA 1.474 0.731 0 O-C-N 120.125 -1.609 . . . . 0.0 114.329 167.84 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 89.7 m-20 -63.24 -27.99 69.73 Favored 'General case' 0 N--CA 1.473 0.719 0 CA-C-N 120.68 1.582 . . . . 0.0 111.514 175.32 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 40.7 m-85 -80.78 -18.05 48.9 Favored 'General case' 0 CA--C 1.543 0.685 0 C-N-CA 124.258 1.023 . . . . 0.0 113.694 174.425 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 45.9 t -77.63 -44.68 27.44 Favored 'General case' 0 CA--C 1.544 0.741 0 C-N-CA 124.354 1.061 . . . . 0.0 111.411 166.366 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 51.6 t-20 . . . . . 0 CA--C 1.542 0.639 0 C-N-CA 125.218 1.407 . . . . 0.0 111.352 178.923 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' B' B ' 1' ' ' PHE . . . . . . . . . . . . . 24.2 t80 . . . . . 0 CA--C 1.541 0.609 0 CA-C-O 120.883 0.373 . . . . 0.0 111.997 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' B' B ' 2' ' ' VAL . . . . . . . . . . . . . 7.3 p -148.12 140.63 18.56 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.784 0 C-N-CA 124.686 1.194 . . . . 0.0 110.538 166.7 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 3' ' ' ASN . . . . . . . . . . . . . 25.2 m-20 -68.66 142.56 55.04 Favored 'General case' 0 N--CA 1.449 -0.486 0 CA-C-O 122.186 0.994 . . . . 0.0 113.344 -172.108 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 4' ' ' GLN . . . . . . . . . . . . . 5.9 pt20 -167.88 170.25 10.82 Favored 'General case' 0 CA--C 1.539 0.52 0 C-N-CA 127.653 2.381 . . . . 0.0 107.956 179.812 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 5' ' ' HIS . . . . . . . . . . . . . 15.9 m-70 -76.35 129.7 36.99 Favored 'General case' 0 CA--C 1.541 0.624 0 C-N-CA 124.052 0.941 . . . . 0.0 109.862 164.224 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 3.2 mm? -116.63 141.78 47.75 Favored 'General case' 0 N--CA 1.468 0.433 0 C-N-CA 125.392 1.477 . . . . 0.0 110.523 173.081 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 7' ' ' CYS . . . . . . . . . . . . . 0.9 OUTLIER -150.12 155.79 40.47 Favored 'General case' 0 CA--C 1.54 0.578 0 N-CA-C 112.952 0.723 . . . . 0.0 112.952 -177.234 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 8' ' ' GLY . . . . . . . . . . . . . . . 54.22 -133.59 45.59 Favored Glycine 0 CA--C 1.534 1.243 0 C-N-CA 124.254 0.931 . . . . 0.0 113.636 174.781 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 9' ' ' SER . . . . . . . . . . . . . 19.4 m -56.87 -35.9 69.45 Favored 'General case' 0 N--CA 1.473 0.681 0 C-N-CA 123.977 0.911 . . . . 0.0 112.929 177.595 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 10' ' ' HIS . . . . . . . . . . . . . 28.9 m170 -67.01 -28.8 68.54 Favored 'General case' 0 N--CA 1.472 0.662 0 C-N-CA 123.467 0.707 . . . . 0.0 112.627 177.757 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 34.3 tp -77.0 -36.8 56.14 Favored 'General case' 0 CA--C 1.538 0.503 0 C-N-CA 124.073 0.949 . . . . 0.0 112.163 175.066 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 79.6 t -64.46 -41.89 93.63 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.795 0 C-N-CA 123.559 0.744 . . . . 0.0 110.506 171.281 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 45.2 mt-10 -64.37 -42.33 96.24 Favored 'General case' 0 N--CA 1.469 0.496 0 O-C-N 121.582 -0.699 . . . . 0.0 112.015 173.132 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -61.18 -38.82 87.86 Favored 'General case' 0 CA--C 1.541 0.617 0 CA-C-N 119.262 0.937 . . . . 0.0 112.939 178.385 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 15' ' ' LEU . . . . . . . . . . . . 0.252 2.8 pp -78.9 -30.0 44.64 Favored 'General case' 0 N--CA 1.467 0.418 0 N-CA-C 112.704 0.631 . . . . 0.0 112.704 178.409 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 16' ' ' TYR . . . . . . . . . . . . . 1.2 t80 -61.15 -46.44 90.52 Favored 'General case' 0 CA--C 1.539 0.538 0 C-N-CA 123.143 0.577 . . . . 0.0 111.059 166.484 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 42.3 mt -68.39 -42.55 78.92 Favored 'General case' 0 CA--C 1.536 0.415 0 C-N-CA 124.029 0.932 . . . . 0.0 112.67 -175.379 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 18' ' ' VAL . . . . . . . . . . . . . 1.9 p -73.73 -30.43 28.9 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.842 0 N-CA-C 112.552 0.575 . . . . 0.0 112.552 -179.622 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 19' ' ' CYS . . . . . . . . . . . . . 7.8 t -93.04 -30.76 15.14 Favored 'General case' 0 CA--C 1.542 0.64 0 C-N-CA 124.562 1.145 . . . . 0.0 113.883 -175.209 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.537 1.466 0 C-N-CA 125.151 1.358 . . . . 0.0 115.065 -175.927 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 11.7 tt . . . . . 0 N--CA 1.482 1.162 0 N-CA-C 114.076 1.139 . . . . 0.0 114.076 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 7.3 p -57.44 -36.52 53.51 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.932 0 C-N-CA 124.206 1.002 . . . . 0.0 112.258 178.62 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 34.5 mt-10 -75.83 0.1 19.27 Favored 'General case' 0 N--CA 1.475 0.776 0 C-N-CA 126.625 1.97 . . . . 0.0 114.363 177.798 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 18.9 tp60 -114.73 -36.19 4.6 Favored 'General case' 0 CA--C 1.54 0.575 0 C-N-CA 124.981 1.312 . . . . 0.0 112.189 166.289 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 73.4 m -108.01 -16.3 14.32 Favored 'General case' 0 CA--C 1.538 0.493 0 N-CA-C 115.726 1.75 . . . . 0.0 115.726 -167.429 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 37.3 t -100.13 -24.74 14.5 Favored 'General case' 0 N--CA 1.475 0.796 0 CA-C-N 119.8 1.182 . . . . 0.0 111.682 169.112 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 46.0 p -78.67 -28.23 45.28 Favored 'General case' 0 N--CA 1.474 0.774 0 C-N-CA 126.322 1.849 . . . . 0.0 113.01 174.684 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 8.2 t -150.83 173.89 13.72 Favored 'General case' 0 CA--C 1.538 0.491 0 C-N-CA 126.792 2.037 . . . . 0.0 110.74 178.156 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 45.6 mt -67.35 141.96 17.18 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.594 0 C-N-CA 124.345 1.058 . . . . 0.0 111.297 179.059 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 21.8 m -123.12 138.16 54.73 Favored 'General case' 0 CA--C 1.538 0.483 0 C-N-CA 124.274 1.03 . . . . 0.0 111.776 166.922 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 69.3 m -94.06 161.98 14.06 Favored 'General case' 0 N--CA 1.469 0.488 0 C-N-CA 125.098 1.359 . . . . 0.0 111.147 172.316 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 1.9 pp -57.2 -36.0 70.31 Favored 'General case' 0 CA--C 1.543 0.703 0 C-N-CA 123.604 0.762 . . . . 0.0 112.336 -176.59 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 43.6 m-85 -66.34 -26.82 67.47 Favored 'General case' 0 CA--C 1.539 0.55 0 C-N-CA 125.336 1.454 . . . . 0.0 113.376 178.345 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 44.0 mt-30 -80.05 -45.36 18.45 Favored 'General case' 0 N--CA 1.467 0.415 0 C-N-CA 124.169 0.988 . . . . 0.0 110.288 173.825 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 96.8 mt -60.6 -33.26 72.48 Favored 'General case' 0 CA--C 1.543 0.698 0 C-N-CA 124.141 0.976 . . . . 0.0 113.091 179.455 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 38.0 mt-10 -56.98 -36.87 70.84 Favored 'General case' 0 N--CA 1.477 0.918 0 N-CA-C 113.352 0.871 . . . . 0.0 113.352 172.88 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 86.2 m-20 -66.77 -25.74 66.63 Favored 'General case' 0 CA--C 1.541 0.608 0 O-C-N 121.566 -0.709 . . . . 0.0 112.412 -176.224 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 96.9 m-85 -79.95 -10.27 59.76 Favored 'General case' 0 CA--C 1.541 0.613 0 C-N-CA 124.706 1.202 . . . . 0.0 113.828 178.056 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 13.0 t -74.83 -25.45 59.01 Favored 'General case' 0 CA--C 1.545 0.767 0 O-C-N 121.463 -0.773 . . . . 0.0 112.705 173.194 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 25.4 t-20 . . . . . 0 CA--C 1.544 0.722 0 C-N-CA 124.732 1.213 . . . . 0.0 112.352 179.681 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' B' B ' 1' ' ' PHE . . . . . . . . . . . . . 49.5 t80 . . . . . 0 CA--C 1.54 0.589 0 N-CA-C 112.272 0.471 . . . . 0.0 112.272 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' B' B ' 2' ' ' VAL . . . . . . . . . . . . . 47.9 t -136.24 131.95 49.19 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.777 0 C-N-CA 125.692 1.597 . . . . 0.0 108.24 168.035 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 3' ' ' ASN . . . . . . . . . . . . . 3.4 p-10 -61.78 146.86 48.18 Favored 'General case' 0 N--CA 1.467 0.398 0 CA-C-O 122.308 1.052 . . . . 0.0 113.702 179.998 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 4' ' ' GLN . . . . . . . . . . . . . 22.5 pt20 -168.24 173.48 7.78 Favored 'General case' 0 CA--C 1.538 0.508 0 C-N-CA 127.226 2.211 . . . . 0.0 108.574 178.428 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 5' ' ' HIS . . . . . . . . . . . . . 10.1 m-70 -73.99 134.29 43.06 Favored 'General case' 0 C--N 1.32 -0.696 0 C-N-CA 125.162 1.385 . . . . 0.0 109.627 160.097 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 3.2 mm? -119.14 142.39 47.98 Favored 'General case' 0 CA--C 1.538 0.49 0 C-N-CA 125.927 1.691 . . . . 0.0 110.615 174.915 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 7' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -146.7 158.16 43.85 Favored 'General case' 0 CA--C 1.541 0.617 0 N-CA-C 112.86 0.689 . . . . 0.0 112.86 -177.147 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 8' ' ' GLY . . . . . . . . . . . . . . . 54.37 -136.54 43.21 Favored Glycine 0 CA--C 1.534 1.22 0 C-N-CA 124.38 0.99 . . . . 0.0 113.746 175.412 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 9' ' ' SER . . . . . . . . . . . . . 22.7 m -59.96 -31.92 70.33 Favored 'General case' 0 N--CA 1.473 0.678 0 C-N-CA 123.822 0.849 . . . . 0.0 113.088 177.771 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 10' ' ' HIS . . . . . . . . . . . . . 29.5 m-70 -68.42 -30.94 69.95 Favored 'General case' 0 N--CA 1.473 0.679 0 O-C-N 121.497 -0.752 . . . . 0.0 112.233 178.829 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 57.9 tp -69.18 -41.57 77.0 Favored 'General case' 0 CA--C 1.538 0.481 0 C-N-CA 123.971 0.908 . . . . 0.0 111.912 173.56 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 59.8 t -66.52 -40.8 87.3 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.767 0 C-N-CA 123.88 0.872 . . . . 0.0 111.009 175.607 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 38.9 mt-10 -67.75 -42.48 81.74 Favored 'General case' 0 CA--C 1.536 0.424 0 O-C-N 121.366 -0.834 . . . . 0.0 112.242 175.477 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -63.02 -38.13 89.95 Favored 'General case' 0 CA--C 1.541 0.632 0 CA-C-N 119.389 0.995 . . . . 0.0 113.148 -177.739 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 15' ' ' LEU . . . . . 0.402 ' HA ' HG12 ' B' ' 18' ' ' VAL . 3.1 pp -76.81 -33.14 58.0 Favored 'General case' 0 N--CA 1.471 0.589 0 O-C-N 121.686 -0.634 . . . . 0.0 111.88 177.728 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 16' ' ' TYR . . . . . . . . . . . . . 2.4 t80 -64.55 -41.26 96.45 Favored 'General case' 0 CA--C 1.54 0.594 0 C-N-CA 123.706 0.802 . . . . 0.0 111.293 172.059 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 37.8 mt -69.55 -44.09 71.62 Favored 'General case' 0 N--CA 1.467 0.422 0 C-N-CA 124.31 1.044 . . . . 0.0 112.169 -178.132 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 18' ' ' VAL . . . . . 0.402 HG12 ' HA ' ' B' ' 15' ' ' LEU . 6.0 p -71.86 -32.15 43.56 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.721 0 N-CA-C 111.94 0.348 . . . . 0.0 111.94 179.176 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 19' ' ' CYS . . . . . . . . . . . . . 15.4 t -76.47 -31.27 57.69 Favored 'General case' 0 CA--C 1.537 0.452 0 C-N-CA 123.247 0.619 . . . . 0.0 112.231 175.917 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.536 1.37 0 C-N-CA 125.756 1.646 . . . . 0.0 115.078 176.969 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 4.6 tp . . . . . 0 N--CA 1.48 1.062 0 N-CA-C 114.6 1.333 . . . . 0.0 114.6 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 7.3 p -66.72 -43.61 89.97 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.922 0 O-C-N 121.03 -1.044 . . . . 0.0 112.488 -178.156 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 47.4 mt-10 -78.01 8.54 4.6 Favored 'General case' 0 N--CA 1.475 0.82 0 N-CA-C 114.4 1.259 . . . . 0.0 114.4 176.955 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 54.8 mt-30 -117.22 -32.98 4.81 Favored 'General case' 0 CA--C 1.541 0.62 0 C-N-CA 125.287 1.435 . . . . 0.0 112.717 168.913 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 21.5 m -123.96 -4.32 8.05 Favored 'General case' 0 CA--C 1.543 0.687 0 N-CA-C 117.157 2.28 . . . . 0.0 117.157 -170.71 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 52.9 t -95.78 -26.68 15.57 Favored 'General case' 0 N--CA 1.475 0.806 0 CA-C-N 119.661 1.118 . . . . 0.0 111.141 159.254 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 41.6 p -80.29 -22.52 41.49 Favored 'General case' 0 N--CA 1.475 0.819 0 C-N-CA 126.698 1.999 . . . . 0.0 113.435 175.779 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 8.1 t -147.61 -175.93 5.05 Favored 'General case' 0 CA--C 1.54 0.584 0 C-N-CA 127.042 2.137 . . . . 0.0 110.154 175.776 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 35.7 mt -66.56 144.11 14.98 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.752 0 O-C-N 120.958 -1.089 . . . . 0.0 111.825 178.486 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -112.11 146.72 37.5 Favored 'General case' 0 CA--C 1.538 0.501 0 C-N-CA 123.947 0.899 . . . . 0.0 111.588 157.336 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 5.9 m -130.86 164.84 24.34 Favored 'General case' 0 N--CA 1.468 0.464 0 C-N-CA 127.457 2.303 . . . . 0.0 108.81 177.306 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 3.7 pp -58.27 -34.28 70.33 Favored 'General case' 0 N--CA 1.475 0.799 0 O-C-N 121.02 -1.05 . . . . 0.0 112.522 -179.754 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 54.4 m-85 -66.8 -24.54 66.19 Favored 'General case' 0 CA--C 1.542 0.66 0 C-N-CA 124.835 1.254 . . . . 0.0 113.589 175.786 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 38.0 mt-30 -85.84 -47.74 9.41 Favored 'General case' 0 N--CA 1.468 0.46 0 C-N-CA 125.106 1.362 . . . . 0.0 110.502 174.853 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 36.8 mt -61.7 -33.64 74.37 Favored 'General case' 0 CA--C 1.543 0.709 0 C-N-CA 124.932 1.293 . . . . 0.0 112.393 -178.853 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 76.7 mt-10 -60.43 -27.69 67.69 Favored 'General case' 0 N--CA 1.472 0.662 0 N-CA-C 113.634 0.975 . . . . 0.0 113.634 173.13 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 79.4 m-20 -67.95 -25.27 65.36 Favored 'General case' 0 CA--C 1.544 0.722 0 CA-C-N 119.695 1.134 . . . . 0.0 112.11 175.895 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 69.6 m-85 -88.65 -21.21 24.07 Favored 'General case' 0 CA--C 1.542 0.658 0 C-N-CA 124.95 1.3 . . . . 0.0 112.574 176.021 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 51.3 t -72.66 -43.51 63.05 Favored 'General case' 0 CA--C 1.544 0.712 0 C-N-CA 124.388 1.075 . . . . 0.0 111.763 165.475 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 49.1 t-20 . . . . . 0 CA--C 1.543 0.682 0 C-N-CA 125.786 1.634 . . . . 0.0 111.344 -177.949 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' B' B ' 1' ' ' PHE . . . . . . . . . . . . . 6.6 t80 . . . . . 0 CA--C 1.539 0.541 0 CA-C-O 120.952 0.406 . . . . 0.0 111.682 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' B' B ' 2' ' ' VAL . . . . . . . . . . . . . 60.5 t -117.57 128.13 74.86 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.666 0 C-N-CA 125.411 1.484 . . . . 0.0 108.036 165.768 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 3' ' ' ASN . . . . . . . . . . . . . 40.2 p-10 -56.26 148.57 18.19 Favored 'General case' 0 CA--C 1.535 0.391 0 N-CA-C 114.824 1.416 . . . . 0.0 114.824 -176.537 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 4' ' ' GLN . . . . . . . . . . . . . 6.8 pt20 -169.3 161.45 10.05 Favored 'General case' 0 CA--C 1.536 0.439 0 C-N-CA 126.764 2.026 . . . . 0.0 109.346 -172.614 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 5' ' ' HIS . . . . . 0.486 ' H ' ' CD2' ' B' ' 5' ' ' HIS . 13.6 m-70 -61.28 132.51 53.84 Favored 'General case' 0 C--N 1.322 -0.627 0 C-N-CA 125.336 1.454 . . . . 0.0 109.557 164.483 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 39.6 mt -136.35 133.55 36.94 Favored 'General case' 0 N--CA 1.472 0.661 0 C-N-CA 124.947 1.299 . . . . 0.0 110.394 -171.831 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 7' ' ' CYS . . . . . . . . . . . . . 94.2 m -135.29 148.05 49.4 Favored 'General case' 0 CA--C 1.537 0.452 0 O-C-N 121.622 -0.674 . . . . 0.0 112.761 -168.616 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 8' ' ' GLY . . . . . . . . . . . . . . . 54.44 -131.76 46.26 Favored Glycine 0 CA--C 1.534 1.221 0 C-N-CA 123.969 0.795 . . . . 0.0 112.966 177.355 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 9' ' ' SER . . . . . . . . . . . . . 24.3 m -56.15 -34.67 66.36 Favored 'General case' 0 N--CA 1.472 0.632 0 C-N-CA 124.164 0.986 . . . . 0.0 113.253 178.696 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 10' ' ' HIS . . . . . . . . . . . . . 28.4 m170 -64.78 -34.54 78.59 Favored 'General case' 0 N--CA 1.472 0.654 0 CA-C-N 119.188 0.904 . . . . 0.0 112.564 179.692 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 36.1 tp -71.96 -39.42 69.37 Favored 'General case' 0 CA--C 1.537 0.479 0 C-N-CA 123.63 0.772 . . . . 0.0 111.78 176.316 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 60.2 t -67.06 -42.78 88.88 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.712 0 C-N-CA 123.896 0.878 . . . . 0.0 110.978 175.486 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 42.9 mt-10 -62.86 -40.91 98.94 Favored 'General case' 0 N--CA 1.468 0.464 0 O-C-N 121.451 -0.781 . . . . 0.0 111.954 175.652 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -63.55 -38.71 92.18 Favored 'General case' 0 CA--C 1.543 0.689 0 N-CA-C 113.117 0.784 . . . . 0.0 113.117 179.87 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 4.6 pp -78.92 -31.29 45.17 Favored 'General case' 0 N--CA 1.47 0.547 0 O-C-N 121.68 -0.638 . . . . 0.0 111.925 176.224 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 16' ' ' TYR . . . . . . . . . . . . . 2.5 t80 -63.51 -41.54 98.5 Favored 'General case' 0 CA--C 1.541 0.598 0 O-C-N 121.404 -0.81 . . . . 0.0 111.697 172.113 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 37.9 mt -67.39 -45.03 77.41 Favored 'General case' 0 N--CA 1.467 0.394 0 C-N-CA 123.933 0.893 . . . . 0.0 112.115 -178.222 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 18' ' ' VAL . . . . . . . . . . . . . 5.4 p -73.52 -30.87 30.97 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.677 0 N-CA-C 112.286 0.476 . . . . 0.0 112.286 179.751 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 19' ' ' CYS . . . . . . . . . . . . . 8.0 t -79.69 -33.9 40.67 Favored 'General case' 0 CA--C 1.542 0.672 0 C-N-CA 123.746 0.818 . . . . 0.0 112.76 179.231 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.538 1.483 0 C-N-CA 125.719 1.628 . . . . 0.0 115.27 177.172 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 12.9 tt . . . . . 0 N--CA 1.479 1.021 0 N-CA-C 114.547 1.314 . . . . 0.0 114.547 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 7.5 p -64.05 -43.62 97.57 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.923 0 CA-C-N 119.411 1.005 . . . . 0.0 112.107 -175.751 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 47.1 mt-10 -73.54 -8.6 56.6 Favored 'General case' 0 N--CA 1.474 0.741 0 C-N-CA 124.18 0.992 . . . . 0.0 113.584 176.032 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 46.0 mt-30 -104.13 -22.04 13.48 Favored 'General case' 0 CA--C 1.543 0.685 0 C-N-CA 125.121 1.368 . . . . 0.0 113.208 176.349 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 91.6 m -107.88 -30.93 8.22 Favored 'General case' 0 CA--C 1.547 0.838 0 C-N-CA 125.486 1.514 . . . . 0.0 115.035 178.96 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 19.9 t -80.93 -32.51 34.57 Favored 'General case' 0 N--CA 1.473 0.71 0 O-C-N 120.748 -1.22 . . . . 0.0 113.076 -171.283 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 13.9 t -93.13 -23.36 18.62 Favored 'General case' 0 N--CA 1.48 1.048 0 C-N-CA 124.978 1.311 . . . . 0.0 113.8 -176.761 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 10.8 t -153.62 159.79 42.22 Favored 'General case' 0 N--CA 1.471 0.581 0 C-N-CA 126.132 1.773 . . . . 0.0 110.304 175.537 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 22.1 mt -61.59 133.35 27.36 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.754 0 C-N-CA 123.573 0.749 . . . . 0.0 111.231 -177.816 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 21.0 p -112.8 163.49 14.54 Favored 'General case' 0 CA--C 1.541 0.628 0 C-N-CA 125.287 1.435 . . . . 0.0 111.516 171.504 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 68.0 m -121.81 161.92 21.82 Favored 'General case' 0 N--CA 1.475 0.821 0 C-N-CA 123.984 0.913 . . . . 0.0 113.274 -169.163 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 2.3 pt? -54.75 -33.19 60.89 Favored 'General case' 0 N--CA 1.473 0.675 0 C-N-CA 124.113 0.965 . . . . 0.0 113.58 -179.981 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 39.6 m-85 -64.05 -25.83 68.28 Favored 'General case' 0 CA--C 1.541 0.623 0 C-N-CA 124.391 1.076 . . . . 0.0 113.01 177.003 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 40.1 mt-30 -84.71 -45.89 11.98 Favored 'General case' 0 N--CA 1.467 0.381 0 C-N-CA 124.777 1.231 . . . . 0.0 110.707 172.336 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 60.3 mt -59.06 -39.93 83.59 Favored 'General case' 0 CA--C 1.54 0.584 0 C-N-CA 123.306 0.643 . . . . 0.0 112.551 178.69 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 4.1 mm-40 -54.76 -38.58 67.37 Favored 'General case' 0 CA--C 1.543 0.711 0 C-N-CA 125.175 1.39 . . . . 0.0 112.419 172.063 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 87.7 m-20 -77.71 -33.73 52.99 Favored 'General case' 0 CA--C 1.539 0.558 0 C-N-CA 124.015 0.926 . . . . 0.0 112.186 -179.825 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 19.7 m-85 -69.75 -31.42 69.37 Favored 'General case' 0 CA--C 1.543 0.675 0 CA-C-N 118.977 0.808 . . . . 0.0 112.184 173.566 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 95.4 m -75.06 -19.64 59.9 Favored 'General case' 0 CA--C 1.545 0.756 0 N-CA-C 113.982 1.104 . . . . 0.0 113.982 174.342 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 56.0 t-20 . . . . . 0 CA--C 1.543 0.686 0 C-N-CA 124.27 1.028 . . . . 0.0 112.134 -177.463 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' B' B ' 1' ' ' PHE . . . . . . . . . . . . . 16.3 t80 . . . . . 0 CA--C 1.539 0.535 0 N-CA-C 112.295 0.48 . . . . 0.0 112.295 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' B' B ' 2' ' ' VAL . . . . . . . . . . . . . 8.4 m -128.95 128.11 66.94 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.662 0 C-N-CA 125.466 1.506 . . . . 0.0 109.262 162.34 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 3' ' ' ASN . . . . . . . . . . . . . 35.1 p-10 -75.95 165.5 24.88 Favored 'General case' 0 CA--C 1.541 0.61 0 N-CA-C 114.643 1.349 . . . . 0.0 114.643 -177.682 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 4' ' ' GLN . . . . . . . . . . . . . 8.8 pt20 -161.89 -167.9 1.79 Allowed 'General case' 0 CA--C 1.545 0.751 0 C-N-CA 129.129 2.972 . . . . 0.0 107.585 177.167 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 5' ' ' HIS . . . . . . . . . . . . . 27.4 m-70 -77.29 65.96 2.96 Favored 'General case' 0 N--CA 1.472 0.666 0 C-N-CA 126.268 1.827 . . . . 0.0 110.759 173.703 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 59.2 mt -64.63 126.99 29.65 Favored 'General case' 0 CA--C 1.535 0.366 0 C-N-CA 125.768 1.627 . . . . 0.0 112.716 -169.026 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 7' ' ' CYS . . . . . . . . . . . . . 3.4 t -151.72 158.6 43.6 Favored 'General case' 0 CA--C 1.541 0.633 0 C-N-CA 123.596 0.758 . . . . 0.0 112.095 -178.456 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 8' ' ' GLY . . . . . . . . . . . . . . . 57.37 -135.65 51.45 Favored Glycine 0 CA--C 1.535 1.328 0 C-N-CA 123.77 0.7 . . . . 0.0 113.378 178.425 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 9' ' ' SER . . . . . . . . . . . . . 36.3 p -62.25 -32.88 73.64 Favored 'General case' 0 N--CA 1.472 0.654 0 N-CA-C 113.447 0.906 . . . . 0.0 113.447 177.563 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 10' ' ' HIS . . . . . . . . . . . . . 32.0 m170 -63.68 -36.38 83.65 Favored 'General case' 0 N--CA 1.474 0.727 0 O-C-N 121.492 -0.755 . . . . 0.0 112.271 177.48 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 58.4 tp -66.04 -43.18 88.27 Favored 'General case' 0 N--CA 1.468 0.451 0 C-N-CA 124.02 0.928 . . . . 0.0 111.883 174.99 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 64.0 t -63.84 -43.7 97.93 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.684 0 C-N-CA 123.678 0.791 . . . . 0.0 110.875 176.532 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 42.5 mt-10 -65.97 -42.49 89.81 Favored 'General case' 0 N--CA 1.47 0.536 0 O-C-N 121.685 -0.634 . . . . 0.0 112.553 176.424 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -65.02 -38.39 90.74 Favored 'General case' 0 CA--C 1.539 0.521 0 O-C-N 121.272 -0.893 . . . . 0.0 113.194 -179.354 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 3.3 pp -76.24 -36.86 58.3 Favored 'General case' 0 CA--C 1.537 0.475 0 O-C-N 121.855 -0.528 . . . . 0.0 110.682 177.549 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 16' ' ' TYR . . . . . . . . . . . . . 5.2 t80 -58.77 -38.94 79.61 Favored 'General case' 0 CA--C 1.541 0.612 0 O-C-N 121.357 -0.839 . . . . 0.0 111.967 170.634 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 20.3 mt -68.84 -51.09 44.27 Favored 'General case' 0 N--CA 1.464 0.256 0 C-N-CA 123.97 0.908 . . . . 0.0 112.067 -179.866 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 18' ' ' VAL . . . . . . . . . . . . . 6.4 p -70.57 -36.9 67.76 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.534 0 N-CA-C 111.807 0.299 . . . . 0.0 111.807 -176.63 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 19' ' ' CYS . . . . . . . . . . . . . 78.0 m -87.07 -27.68 23.01 Favored 'General case' 0 CA--C 1.536 0.441 0 C-N-CA 123.895 0.878 . . . . 0.0 113.13 -176.408 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.533 1.207 0 O-C-N 121.273 -0.892 . . . . 0.0 113.592 176.872 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 15.8 tt . . . . . 0 N--CA 1.477 0.891 0 N-CA-C 114.138 1.162 . . . . 0.0 114.138 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 14.4 t -62.79 -49.75 82.44 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.006 0 C-N-CA 123.979 0.912 . . . . 0.0 111.365 -172.048 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 16.4 pt-20 -64.66 -21.86 66.83 Favored 'General case' 0 CA--C 1.547 0.828 0 N-CA-C 113.941 1.089 . . . . 0.0 113.941 176.93 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 65.3 mm-40 -87.72 -33.8 18.6 Favored 'General case' 0 N--CA 1.469 0.491 0 C-N-CA 124.366 1.067 . . . . 0.0 112.891 177.266 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 96.6 m -110.62 -29.61 7.96 Favored 'General case' 0 CA--C 1.543 0.682 0 N-CA-C 114.879 1.437 . . . . 0.0 114.879 -170.828 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 20.6 t -88.2 -35.27 17.44 Favored 'General case' 0 N--CA 1.474 0.741 0 CA-C-N 119.546 1.066 . . . . 0.0 113.024 -171.653 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 12.0 t -107.89 -13.06 15.07 Favored 'General case' 0 N--CA 1.482 1.134 0 C-N-CA 125.575 1.55 . . . . 0.0 113.422 179.987 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 72.1 m -136.05 165.39 25.81 Favored 'General case' 0 N--CA 1.471 0.601 0 C-N-CA 127.155 2.182 . . . . 0.0 110.107 175.694 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 52.5 mt -81.34 136.08 23.8 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.708 0 O-C-N 121.329 -0.857 . . . . 0.0 110.041 174.12 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 19.4 p -121.8 169.03 11.16 Favored 'General case' 0 CA--C 1.543 0.683 0 C-N-CA 125.402 1.481 . . . . 0.0 111.979 173.927 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 46.1 m -124.98 160.9 27.88 Favored 'General case' 0 N--CA 1.474 0.765 0 C-N-CA 124.761 1.225 . . . . 0.0 112.48 -172.03 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -57.11 -28.41 62.66 Favored 'General case' 0 N--CA 1.471 0.603 0 N-CA-C 114.335 1.235 . . . . 0.0 114.335 -179.672 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 43.3 m-85 -62.47 -28.95 70.18 Favored 'General case' 0 CA--C 1.541 0.599 0 C-N-CA 124.544 1.138 . . . . 0.0 112.809 174.932 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 34.9 mt-30 -83.9 -44.53 14.17 Favored 'General case' 0 CA--C 1.536 0.424 0 C-N-CA 124.686 1.195 . . . . 0.0 110.448 175.271 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 76.9 mt -59.45 -36.51 76.08 Favored 'General case' 0 CA--C 1.543 0.701 0 C-N-CA 123.549 0.74 . . . . 0.0 112.958 177.823 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 4.4 mm-40 -60.71 -32.31 71.56 Favored 'General case' 0 CA--C 1.541 0.629 0 C-N-CA 124.819 1.248 . . . . 0.0 113.099 172.344 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 90.2 m-20 -79.04 -39.66 33.39 Favored 'General case' 0 CA--C 1.54 0.577 0 C-N-CA 123.437 0.695 . . . . 0.0 111.528 177.083 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 22.9 m-85 -65.73 -22.82 66.64 Favored 'General case' 0 N--CA 1.473 0.707 0 N-CA-C 113.487 0.921 . . . . 0.0 113.487 178.207 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 21.1 t -60.9 -25.28 66.62 Favored 'General case' 0 CA--C 1.548 0.868 0 N-CA-C 113.216 0.821 . . . . 0.0 113.216 171.676 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 37.8 m-80 . . . . . 0 N--CA 1.472 0.656 0 C-N-CA 126.11 1.764 . . . . 0.0 113.031 -179.366 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' B' B ' 1' ' ' PHE . . . . . . . . . . . . . 59.4 t80 . . . . . 0 CA--C 1.539 0.55 0 N-CA-C 112.203 0.445 . . . . 0.0 112.203 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' B' B ' 2' ' ' VAL . . . . . . . . . . . . . 59.1 t -134.34 127.16 50.18 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.797 0 C-N-CA 125.277 1.431 . . . . 0.0 109.192 176.019 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 3' ' ' ASN . . . . . . . . . . . . . 3.9 p-10 -57.03 129.26 40.93 Favored 'General case' 0 CA--C 1.535 0.377 0 C-N-CA 123.868 0.867 . . . . 0.0 112.903 179.081 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 4' ' ' GLN . . . . . . . . . . . . . 5.1 pt20 -163.71 155.56 17.08 Favored 'General case' 0 CA--C 1.537 0.458 0 C-N-CA 125.528 1.531 . . . . 0.0 110.481 173.635 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 5' ' ' HIS . . . . . . . . . . . . . 43.1 m-70 -73.06 77.48 1.22 Allowed 'General case' 0 CA--C 1.546 0.813 0 C-N-CA 124.997 1.319 . . . . 0.0 111.243 171.16 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 75.3 mt -64.16 126.52 28.0 Favored 'General case' 0 N--CA 1.471 0.598 0 C-N-CA 124.816 1.246 . . . . 0.0 112.192 179.475 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 7' ' ' CYS . . . . . . . . . . . . . 4.1 t -151.76 160.83 43.44 Favored 'General case' 0 N--CA 1.471 0.613 0 N-CA-C 112.872 0.693 . . . . 0.0 112.872 178.302 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 8' ' ' GLY . . . . . . . . . . . . . . . 58.64 -137.14 50.54 Favored Glycine 0 CA--C 1.532 1.151 0 C-N-CA 124.001 0.81 . . . . 0.0 112.862 179.998 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 9' ' ' SER . . . . . . . . . . . . . 24.8 m -58.17 -35.69 71.94 Favored 'General case' 0 N--CA 1.473 0.693 0 C-N-CA 123.65 0.78 . . . . 0.0 112.825 178.12 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 10' ' ' HIS . . . . . . . . . . . . . 32.5 m170 -62.96 -37.3 86.52 Favored 'General case' 0 N--CA 1.472 0.675 0 C-N-CA 123.617 0.767 . . . . 0.0 112.471 178.708 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 51.9 tp -67.39 -43.33 81.58 Favored 'General case' 0 CA--C 1.536 0.406 0 C-N-CA 124.171 0.989 . . . . 0.0 112.173 176.179 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 75.9 t -66.2 -43.61 91.83 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.697 0 C-N-CA 123.746 0.818 . . . . 0.0 110.849 177.165 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 42.2 mt-10 -66.0 -42.67 89.45 Favored 'General case' 0 N--CA 1.467 0.401 0 O-C-N 121.613 -0.679 . . . . 0.0 112.117 176.956 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -62.79 -39.76 95.25 Favored 'General case' 0 CA--C 1.539 0.532 0 CA-C-N 119.272 0.942 . . . . 0.0 113.026 -178.392 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 15' ' ' LEU . . . . . 0.404 ' HA ' HG12 ' B' ' 18' ' ' VAL . 3.2 pp -77.45 -33.45 54.72 Favored 'General case' 0 N--CA 1.467 0.414 0 O-C-N 121.798 -0.564 . . . . 0.0 111.809 179.405 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 16' ' ' TYR . . . . . . . . . . . . . 3.4 t80 -63.22 -43.22 98.7 Favored 'General case' 0 CA--C 1.539 0.552 0 C-N-CA 123.83 0.852 . . . . 0.0 111.298 171.579 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 43.2 mt -69.06 -45.58 69.99 Favored 'General case' 0 N--CA 1.467 0.417 0 C-N-CA 123.978 0.911 . . . . 0.0 112.435 -178.936 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 18' ' ' VAL . . . . . 0.404 HG12 ' HA ' ' B' ' 15' ' ' LEU . 3.9 p -71.8 -31.26 40.71 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.84 0 N-CA-C 112.272 0.471 . . . . 0.0 112.272 -177.489 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 19' ' ' CYS . . . . . . . . . . . . . 21.0 t -81.7 -37.55 27.19 Favored 'General case' 0 CA--C 1.542 0.657 0 C-N-CA 124.135 0.974 . . . . 0.0 112.066 177.658 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.537 1.414 0 C-N-CA 126.513 2.006 . . . . 0.0 114.238 174.412 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 12.2 tt . . . . . 0 N--CA 1.482 1.128 0 N-CA-C 115.831 1.789 . . . . 0.0 115.831 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 9.8 p -62.68 -43.77 98.88 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.779 0 C-N-CA 123.525 0.73 . . . . 0.0 112.708 -170.249 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 46.9 mt-10 -78.27 -46.92 19.03 Favored 'General case' 0 N--CA 1.464 0.275 0 C-N-CA 123.39 0.676 . . . . 0.0 110.326 172.472 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 45.4 tt0 -59.33 -41.25 88.69 Favored 'General case' 0 CA--C 1.535 0.38 0 C-N-CA 124.324 1.05 . . . . 0.0 112.877 -171.135 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 57.5 m -85.21 -26.53 26.67 Favored 'General case' 0 CA--C 1.539 0.524 0 N-CA-C 113.339 0.866 . . . . 0.0 113.339 177.482 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 6.6 t -78.29 -26.99 47.26 Favored 'General case' 0 CA--C 1.546 0.82 0 CA-C-N 119.327 0.967 . . . . 0.0 112.594 176.841 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 1.3 t -99.19 -21.93 15.89 Favored 'General case' 0 N--CA 1.478 0.935 0 C-N-CA 125.462 1.505 . . . . 0.0 114.06 -179.624 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 6.5 t -148.89 177.96 9.09 Favored 'General case' 0 N--CA 1.471 0.615 0 C-N-CA 125.387 1.475 . . . . 0.0 112.198 -177.228 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 34.9 mt -70.49 143.51 14.54 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.532 0 C-N-CA 124.485 1.114 . . . . 0.0 111.77 179.77 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 54.2 m -122.94 132.11 54.02 Favored 'General case' 0 CA--C 1.538 0.498 0 C-N-CA 124.776 1.23 . . . . 0.0 111.587 167.126 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 95.7 p -85.85 168.26 14.42 Favored 'General case' 0 N--CA 1.469 0.517 0 C-N-CA 124.858 1.263 . . . . 0.0 112.531 172.891 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -59.64 -28.13 66.95 Favored 'General case' 0 CA--C 1.541 0.602 0 N-CA-C 112.978 0.733 . . . . 0.0 112.978 167.38 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 37.0 m-85 -69.73 -41.59 75.08 Favored 'General case' 0 N--CA 1.466 0.371 0 O-C-N 121.719 -0.613 . . . . 0.0 111.308 176.614 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 39.7 mt-30 -65.26 -47.47 76.61 Favored 'General case' 0 N--CA 1.465 0.319 0 C-N-CA 123.454 0.702 . . . . 0.0 110.64 175.926 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 77.0 mt -62.56 -36.16 81.79 Favored 'General case' 0 CA--C 1.542 0.672 0 C-N-CA 123.819 0.847 . . . . 0.0 113.025 -179.907 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 37.6 mt-10 -68.67 -40.42 80.15 Favored 'General case' 0 N--CA 1.473 0.676 0 O-C-N 121.596 -0.69 . . . . 0.0 112.557 169.213 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 95.5 m-20 -64.08 -31.47 72.67 Favored 'General case' 0 CA--C 1.542 0.654 0 O-C-N 121.075 -1.016 . . . . 0.0 112.56 177.456 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 25.0 m-85 -73.56 -34.75 65.3 Favored 'General case' 0 CA--C 1.54 0.593 0 CA-C-N 118.652 0.66 . . . . 0.0 112.73 175.038 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 2.6 p -81.06 -34.04 33.02 Favored 'General case' 0 CA--C 1.541 0.598 0 N-CA-C 113.369 0.878 . . . . 0.0 113.369 -179.379 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 53.3 t-20 . . . . . 0 CA--C 1.544 0.726 0 C-N-CA 125.198 1.399 . . . . 0.0 112.201 179.398 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' B' B ' 1' ' ' PHE . . . . . . . . . . . . . 55.3 t80 . . . . . 0 CA--C 1.54 0.578 0 N-CA-C 112.199 0.444 . . . . 0.0 112.199 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' B' B ' 2' ' ' VAL . . . . . . . . . . . . . 22.2 m -135.59 139.51 46.32 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.789 0 C-N-CA 124.985 1.314 . . . . 0.0 110.102 165.249 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 3' ' ' ASN . . . . . . . . . . . . . 77.1 m-20 -57.85 136.62 57.01 Favored 'General case' 0 N--CA 1.468 0.474 0 C-N-CA 123.015 0.526 . . . . 0.0 111.662 178.692 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 4' ' ' GLN . . . . . . . . . . . . . 8.2 pt20 -164.38 158.7 18.86 Favored 'General case' 0 CA--C 1.535 0.372 0 C-N-CA 124.778 1.231 . . . . 0.0 110.809 -176.963 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 5' ' ' HIS . . . . . . . . . . . . . 17.2 m-70 -66.45 140.78 58.05 Favored 'General case' 0 CA--C 1.543 0.683 0 C-N-CA 125.061 1.344 . . . . 0.0 109.845 162.364 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 62.0 mt -142.35 129.33 20.72 Favored 'General case' 0 N--CA 1.473 0.685 0 C-N-CA 125.17 1.388 . . . . 0.0 111.386 -175.07 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 7' ' ' CYS . . . . . . . . . . . . . 4.9 t -147.34 158.38 43.94 Favored 'General case' 0 CA--C 1.54 0.586 0 C-N-CA 123.339 0.656 . . . . 0.0 112.361 -179.059 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 8' ' ' GLY . . . . . . . . . . . . . . . 58.12 -136.95 50.46 Favored Glycine 0 CA--C 1.534 1.226 0 C-N-CA 124.048 0.832 . . . . 0.0 113.612 177.851 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 9' ' ' SER . . . . . . . . . . . . . 38.7 p -59.85 -32.07 70.34 Favored 'General case' 0 N--CA 1.472 0.628 0 C-N-CA 124.198 0.999 . . . . 0.0 113.543 178.275 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 10' ' ' HIS . . . . . . . . . . . . . 26.4 m-70 -66.89 -37.65 84.79 Favored 'General case' 0 N--CA 1.47 0.574 0 CA-C-N 118.721 0.691 . . . . 0.0 111.781 178.502 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 58.1 tp -65.75 -44.58 85.48 Favored 'General case' 0 CA--C 1.537 0.465 0 C-N-CA 124.107 0.963 . . . . 0.0 111.95 174.243 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 85.8 t -63.36 -45.22 98.69 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.78 0 C-N-CA 123.658 0.783 . . . . 0.0 111.031 178.351 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 39.0 mt-10 -67.65 -41.93 83.04 Favored 'General case' 0 N--CA 1.469 0.518 0 O-C-N 121.697 -0.627 . . . . 0.0 112.396 177.008 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -63.59 -40.23 96.41 Favored 'General case' 0 CA--C 1.538 0.499 0 CA-C-N 119.029 0.832 . . . . 0.0 112.733 -179.211 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 15' ' ' LEU . . . . . 0.424 ' HA ' HG12 ' B' ' 18' ' ' VAL . 3.1 pp -75.53 -35.22 60.76 Favored 'General case' 0 N--CA 1.469 0.502 0 CA-C-N 118.436 0.562 . . . . 0.0 111.572 179.704 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 16' ' ' TYR . . . . . . . . . . . . . 2.6 t80 -61.22 -44.11 97.79 Favored 'General case' 0 CA--C 1.54 0.558 0 C-N-CA 123.913 0.885 . . . . 0.0 111.16 173.08 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 53.6 mt -67.07 -51.64 52.01 Favored 'General case' 0 CA--C 1.532 0.275 0 C-N-CA 123.49 0.716 . . . . 0.0 111.789 179.401 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 18' ' ' VAL . . . . . 0.424 HG12 ' HA ' ' B' ' 15' ' ' LEU . 4.9 p -72.42 -28.65 29.02 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.777 0 N-CA-C 112.917 0.71 . . . . 0.0 112.917 -173.302 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 19' ' ' CYS . . . . . . . . . . . . . 9.1 t -81.0 -33.2 33.86 Favored 'General case' 0 CA--C 1.545 0.76 0 C-N-CA 123.389 0.676 . . . . 0.0 112.187 174.799 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.536 1.397 0 C-N-CA 124.755 1.169 . . . . 0.0 115.4 -179.262 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 2' ' ' ILE . . . . . 0.777 HD13 ' CD2' ' A' ' 19' ' ' TYR . 0.6 OUTLIER . . . . . 0 N--CA 1.479 1.016 0 N-CA-C 114.7 1.37 . . . . 0.0 114.7 . . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 7.6 p -57.56 -43.26 82.86 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.885 0 O-C-N 121.123 -0.985 . . . . 0.0 112.497 177.837 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 42.0 mt-10 -70.09 -31.79 69.54 Favored 'General case' 0 N--CA 1.475 0.822 0 O-C-N 120.715 -1.241 . . . . 0.0 112.541 176.66 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 7.7 mm100 -71.03 -28.46 64.41 Favored 'General case' 0 CA--C 1.541 0.617 0 C-N-CA 124.053 0.941 . . . . 0.0 112.839 178.771 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 67.7 m -116.71 -30.37 5.81 Favored 'General case' 0 CA--C 1.547 0.838 0 N-CA-C 115.81 1.782 . . . . 0.0 115.81 -174.308 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 29.4 t -82.39 -32.62 29.09 Favored 'General case' 0 N--CA 1.477 0.885 0 CA-C-N 120.528 1.513 . . . . 0.0 113.112 -170.065 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 14.4 t -113.26 -10.53 13.33 Favored 'General case' 0 N--CA 1.48 1.026 0 C-N-CA 125.673 1.589 . . . . 0.0 113.413 -176.683 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 8.4 t -143.16 163.1 33.83 Favored 'General case' 0 N--CA 1.469 0.506 0 C-N-CA 126.085 1.754 . . . . 0.0 111.185 175.438 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 24.3 mt -70.03 140.4 18.64 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.601 0 C-N-CA 124.096 0.959 . . . . 0.0 111.332 179.798 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 29.3 p -130.38 162.7 28.52 Favored 'General case' 0 CA--C 1.542 0.645 0 C-N-CA 124.627 1.171 . . . . 0.0 112.09 170.15 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 19.6 m -126.31 163.39 23.34 Favored 'General case' 0 N--CA 1.474 0.739 0 C-N-CA 124.418 1.087 . . . . 0.0 112.292 -170.042 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 2.4 pt? -51.64 -36.32 45.63 Favored 'General case' 0 N--CA 1.475 0.791 0 C-N-CA 124.278 1.031 . . . . 0.0 113.242 175.959 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 31.9 m-85 -60.15 -27.35 67.01 Favored 'General case' 0 CA--C 1.539 0.52 0 C-N-CA 125.032 1.333 . . . . 0.0 113.098 177.124 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 7.7 mt-30 -95.71 -40.13 9.53 Favored 'General case' 0 CA--C 1.538 0.483 0 C-N-CA 123.856 0.862 . . . . 0.0 111.764 173.552 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 60.9 mt -60.99 -36.37 79.28 Favored 'General case' 0 N--CA 1.471 0.577 0 C-N-CA 123.949 0.9 . . . . 0.0 112.878 -178.721 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 40.6 mt-10 -66.5 -30.04 70.28 Favored 'General case' 0 CA--C 1.547 0.828 0 O-C-N 121.513 -0.742 . . . . 0.0 112.583 172.36 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 48.0 m-80 -75.79 -33.0 60.13 Favored 'General case' 0 N--CA 1.47 0.567 0 O-C-N 120.965 -1.084 . . . . 0.0 112.801 174.442 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 19' ' ' TYR . . . . . 0.777 ' CD2' HD13 ' A' ' 2' ' ' ILE . 27.1 m-85 -71.16 -27.61 63.67 Favored 'General case' 0 N--CA 1.472 0.662 0 CA-C-N 119.11 0.868 . . . . 0.0 112.355 172.713 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 48.4 t -68.83 -44.4 73.53 Favored 'General case' 0 CA--C 1.545 0.77 0 C-N-CA 123.747 0.819 . . . . 0.0 112.391 167.958 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 50.9 t-20 . . . . . 0 CA--C 1.546 0.789 0 C-N-CA 124.535 1.134 . . . . 0.0 112.58 -176.712 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' B' B ' 1' ' ' PHE . . . . . . . . . . . . . 60.0 t80 . . . . . 0 CA--C 1.541 0.627 0 N-CA-C 112.346 0.498 . . . . 0.0 112.346 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' B' B ' 2' ' ' VAL . . . . . . . . . . . . . 18.4 m -134.12 139.95 47.18 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.844 0 C-N-CA 125.399 1.479 . . . . 0.0 110.143 166.697 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 3' ' ' ASN . . . . . . . . . . . . . 72.8 m-20 -54.09 139.29 35.49 Favored 'General case' 0 N--CA 1.471 0.586 0 N-CA-C 113.378 0.881 . . . . 0.0 113.378 -179.265 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 4' ' ' GLN . . . . . . . . . . . . . 10.3 pt20 -165.97 155.15 11.69 Favored 'General case' 0 CA--C 1.536 0.412 0 C-N-CA 124.705 1.202 . . . . 0.0 111.672 -172.248 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 5' ' ' HIS . . . . . . . . . . . . . 27.9 m-70 -76.8 143.26 39.92 Favored 'General case' 0 CA--C 1.542 0.669 0 C-N-CA 124.902 1.281 . . . . 0.0 110.144 159.359 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 23.2 mt -144.97 134.23 22.9 Favored 'General case' 0 N--CA 1.473 0.694 0 C-N-CA 126.179 1.792 . . . . 0.0 110.706 -176.658 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 7' ' ' CYS . . . . . . . . . . . . . 3.9 t -149.37 159.95 43.84 Favored 'General case' 0 CA--C 1.541 0.628 0 O-C-N 121.516 -0.74 . . . . 0.0 112.819 -179.245 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 8' ' ' GLY . . . . . . . . . . . . . . . 56.66 -138.83 46.12 Favored Glycine 0 CA--C 1.533 1.206 0 C-N-CA 124.393 0.997 . . . . 0.0 113.543 177.01 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 9' ' ' SER . . . . . . . . . . . . . 22.7 m -59.56 -31.23 69.24 Favored 'General case' 0 N--CA 1.473 0.706 0 N-CA-C 113.2 0.815 . . . . 0.0 113.2 178.065 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 10' ' ' HIS . . . . . . . . . . . . . 28.4 m-70 -67.43 -35.97 80.3 Favored 'General case' 0 N--CA 1.471 0.578 0 O-C-N 121.573 -0.704 . . . . 0.0 111.831 178.25 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 11' ' ' LEU . . . . . 0.551 HD11 HD11 ' A' ' 2' ' ' ILE . 49.9 tp -66.24 -44.12 84.65 Favored 'General case' 0 CA--C 1.537 0.443 0 C-N-CA 123.961 0.904 . . . . 0.0 111.862 174.151 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 84.4 t -63.24 -43.67 98.85 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.787 0 C-N-CA 123.78 0.832 . . . . 0.0 111.085 177.437 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 39.8 mt-10 -67.23 -43.98 80.63 Favored 'General case' 0 CA--C 1.537 0.452 0 O-C-N 121.56 -0.712 . . . . 0.0 112.242 175.682 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -62.77 -40.41 97.2 Favored 'General case' 0 CA--C 1.538 0.499 0 O-C-N 121.182 -0.949 . . . . 0.0 112.805 -179.265 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 3.7 pp -73.85 -31.22 63.09 Favored 'General case' 0 CA--C 1.536 0.406 0 CA-C-N 118.598 0.636 . . . . 0.0 112.279 177.866 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 16' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -63.27 -46.79 85.2 Favored 'General case' 0 N--CA 1.469 0.506 0 CA-C-N 118.771 0.714 . . . . 0.0 110.811 169.705 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 39.2 mt -67.5 -41.49 84.4 Favored 'General case' 0 CA--C 1.535 0.387 0 C-N-CA 124.212 1.005 . . . . 0.0 112.375 -174.091 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 18' ' ' VAL . . . . . . . . . . . . . 4.7 p -75.67 -28.27 19.45 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.745 0 C-N-CA 123.217 0.607 . . . . 0.0 112.537 179.842 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 19' ' ' CYS . . . . . . . . . . . . . 29.6 t -83.26 -32.33 26.49 Favored 'General case' 0 CA--C 1.542 0.646 0 C-N-CA 124.461 1.104 . . . . 0.0 113.686 177.179 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.538 1.503 0 C-N-CA 125.092 1.329 . . . . 0.0 114.382 -172.999 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 2' ' ' ILE . . . . . 0.442 HD13 ' CD2' ' A' ' 19' ' ' TYR . 0.9 OUTLIER . . . . . 0 N--CA 1.478 0.965 0 N-CA-C 112.993 0.738 . . . . 0.0 112.993 . . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 7.5 p -62.99 -40.14 87.89 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.99 0 O-C-N 121.078 -1.014 . . . . 0.0 111.803 177.0 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 46.8 mt-10 -75.45 7.39 3.63 Favored 'General case' 0 N--CA 1.475 0.785 0 N-CA-C 114.908 1.447 . . . . 0.0 114.908 175.585 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 18.0 tp60 -116.38 -37.41 3.76 Favored 'General case' 0 CA--C 1.54 0.568 0 C-N-CA 124.624 1.17 . . . . 0.0 112.513 165.466 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 65.9 m -108.31 -13.76 14.82 Favored 'General case' 0 CA--C 1.544 0.712 0 N-CA-C 115.87 1.804 . . . . 0.0 115.87 -170.041 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 34.8 t -95.91 -23.5 16.85 Favored 'General case' 0 N--CA 1.473 0.713 0 CA-C-N 119.405 1.002 . . . . 0.0 111.69 167.714 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 38.8 p -82.39 -33.48 28.7 Favored 'General case' 0 N--CA 1.472 0.638 0 C-N-CA 126.615 1.966 . . . . 0.0 112.73 178.39 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 75.0 m -144.04 169.03 18.61 Favored 'General case' 0 N--CA 1.471 0.606 0 C-N-CA 127.431 2.293 . . . . 0.0 110.749 178.138 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 49.6 mt -65.01 141.94 17.58 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.764 0 O-C-N 121.315 -0.866 . . . . 0.0 110.639 171.945 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 38.2 m -117.13 141.37 48.36 Favored 'General case' 0 CA--C 1.537 0.466 0 C-N-CA 124.532 1.133 . . . . 0.0 111.887 168.046 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 51.1 m -89.39 162.71 15.64 Favored 'General case' 0 N--CA 1.47 0.555 0 C-N-CA 125.13 1.372 . . . . 0.0 111.802 171.794 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . 0.402 HD12 ' H ' ' A' ' 14' ' ' TYR . 0.4 OUTLIER -57.06 -34.53 68.36 Favored 'General case' 0 CA--C 1.545 0.775 0 N-CA-C 113.399 0.889 . . . . 0.0 113.399 176.339 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 14' ' ' TYR . . . . . 0.402 ' H ' HD12 ' A' ' 13' ' ' LEU . 44.2 m-85 -61.89 -28.87 69.81 Favored 'General case' 0 CA--C 1.54 0.574 0 C-N-CA 124.669 1.187 . . . . 0.0 113.122 175.471 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 43.4 mt-30 -83.22 -51.97 7.0 Favored 'General case' 0 N--CA 1.465 0.317 0 C-N-CA 124.495 1.118 . . . . 0.0 110.231 176.129 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 96.6 mt -60.01 -38.45 82.69 Favored 'General case' 0 CA--C 1.538 0.509 0 C-N-CA 124.136 0.975 . . . . 0.0 113.074 -175.539 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 39.0 mt-10 -63.96 -26.92 68.8 Favored 'General case' 0 CA--C 1.545 0.752 0 N-CA-C 113.351 0.871 . . . . 0.0 113.351 178.125 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 89.3 m-20 -70.12 -30.97 68.3 Favored 'General case' 0 CA--C 1.541 0.627 0 O-C-N 121.22 -0.925 . . . . 0.0 112.413 178.194 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 19' ' ' TYR . . . . . 0.442 ' CD2' HD13 ' A' ' 2' ' ' ILE . 91.3 m-85 -72.88 -14.75 61.55 Favored 'General case' 0 N--CA 1.471 0.611 0 C-N-CA 124.407 1.083 . . . . 0.0 113.597 178.866 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 20.7 t -76.12 -26.15 56.09 Favored 'General case' 0 CA--C 1.546 0.81 0 C-N-CA 124.532 1.133 . . . . 0.0 113.258 176.233 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 63.3 t-20 . . . . . 0 CA--C 1.542 0.641 0 C-N-CA 124.467 1.107 . . . . 0.0 111.78 -179.489 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' B' B ' 1' ' ' PHE . . . . . . . . . . . . . 84.1 t80 . . . . . 0 CA--C 1.543 0.68 0 N-CA-C 112.556 0.576 . . . . 0.0 112.556 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' B' B ' 2' ' ' VAL . . . . . . . . . . . . . 61.5 t -133.02 131.11 58.83 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.738 0 C-N-CA 125.775 1.63 . . . . 0.0 108.532 171.454 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 3' ' ' ASN . . . . . . . . . . . . . 8.1 m-20 -54.39 138.8 38.89 Favored 'General case' 0 CA--C 1.536 0.437 0 N-CA-C 113.717 1.006 . . . . 0.0 113.717 -173.848 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 4' ' ' GLN . . . . . . . . . . . . . 7.8 pt20 -168.75 159.13 9.56 Favored 'General case' 0 CA--C 1.537 0.469 0 C-N-CA 126.717 2.007 . . . . 0.0 109.302 -178.092 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 5' ' ' HIS . . . . . . . . . . . . . 28.1 m-70 -67.85 142.68 56.05 Favored 'General case' 0 N--CA 1.471 0.622 0 C-N-CA 123.999 0.92 . . . . 0.0 110.243 162.816 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 49.9 mt -141.9 139.01 32.45 Favored 'General case' 0 N--CA 1.472 0.653 0 C-N-CA 125.62 1.568 . . . . 0.0 110.506 -174.678 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 7' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -142.61 155.51 44.97 Favored 'General case' 0 N--CA 1.474 0.734 0 N-CA-C 113.266 0.839 . . . . 0.0 113.266 -175.488 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 8' ' ' GLY . . . . . . . . . . . . . . . 52.23 -133.74 37.6 Favored Glycine 0 CA--C 1.535 1.318 0 C-N-CA 124.172 0.891 . . . . 0.0 114.129 173.028 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 9' ' ' SER . . . . . . . . . . . . . 37.6 p -61.74 -31.55 71.73 Favored 'General case' 0 N--CA 1.47 0.565 0 N-CA-C 113.455 0.909 . . . . 0.0 113.455 176.761 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 10' ' ' HIS . . . . . . . . . . . . . 30.2 m170 -65.0 -37.44 87.66 Favored 'General case' 0 N--CA 1.47 0.559 0 CA-C-N 119.156 0.889 . . . . 0.0 111.875 176.656 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 43.6 tp -66.97 -45.7 76.89 Favored 'General case' 0 N--CA 1.467 0.395 0 C-N-CA 123.88 0.872 . . . . 0.0 111.894 173.965 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 91.7 t -61.78 -43.84 97.88 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.805 0 C-N-CA 123.523 0.729 . . . . 0.0 111.352 178.77 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 43.7 mt-10 -68.78 -44.56 73.39 Favored 'General case' 0 N--CA 1.47 0.532 0 O-C-N 121.792 -0.567 . . . . 0.0 112.324 175.531 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -64.84 -37.39 87.45 Favored 'General case' 0 CA--C 1.538 0.5 0 CA-C-N 119.297 0.953 . . . . 0.0 112.836 -177.256 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 2.9 pp -75.09 -31.52 61.22 Favored 'General case' 0 N--CA 1.469 0.488 0 CA-C-N 118.494 0.588 . . . . 0.0 111.774 179.857 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 16' ' ' TYR . . . . . . . . . . . . . 4.1 t80 -70.15 -37.46 75.24 Favored 'General case' 0 CA--C 1.541 0.625 0 C-N-CA 125.075 1.35 . . . . 0.0 111.929 172.733 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 42.9 mt -72.03 -43.06 65.58 Favored 'General case' 0 N--CA 1.468 0.44 0 C-N-CA 124.394 1.078 . . . . 0.0 112.311 178.673 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 18' ' ' VAL . . . . . . . . . . . . . 7.0 p -72.16 -28.93 30.65 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.888 0 CA-C-N 118.255 0.48 . . . . 0.0 111.826 177.206 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 19' ' ' CYS . . . . . . . . . . . . . 42.3 t -67.49 -39.65 85.21 Favored 'General case' 0 N--CA 1.466 0.366 0 C-N-CA 124.743 1.217 . . . . 0.0 113.646 169.184 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.532 1.11 0 CA-C-O 119.659 -0.523 . . . . 0.0 112.041 -169.583 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 8.5 tt . . . . . 0 N--CA 1.476 0.852 0 N-CA-C 114.456 1.28 . . . . 0.0 114.456 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 9.7 p -66.87 -47.12 83.53 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.038 0 O-C-N 120.695 -1.253 . . . . 0.0 112.116 -175.216 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 24.5 pt-20 -71.15 3.83 3.22 Favored 'General case' 0 CA--C 1.548 0.883 0 C-N-CA 126.157 1.783 . . . . 0.0 114.609 175.553 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 47.2 mt-30 -118.79 -35.8 3.6 Favored 'General case' 0 CA--C 1.542 0.651 0 C-N-CA 125.127 1.371 . . . . 0.0 112.404 171.926 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 55.8 m -116.09 -10.48 11.52 Favored 'General case' 0 CA--C 1.544 0.717 0 N-CA-C 114.837 1.421 . . . . 0.0 114.837 -169.379 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 43.3 t -95.93 -23.88 16.66 Favored 'General case' 0 N--CA 1.478 0.941 0 CA-C-N 118.842 0.747 . . . . 0.0 111.607 163.911 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 45.4 p -88.38 -36.36 16.62 Favored 'General case' 0 N--CA 1.475 0.796 0 C-N-CA 126.747 2.019 . . . . 0.0 112.953 179.623 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 67.9 m -127.75 175.61 8.18 Favored 'General case' 0 N--CA 1.472 0.642 0 C-N-CA 127.765 2.426 . . . . 0.0 109.747 168.962 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 44.0 mt -70.19 -45.43 75.85 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.898 0 O-C-N 120.812 -1.18 . . . . 0.0 113.732 -169.474 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 89.1 m 58.34 122.18 0.01 OUTLIER 'General case' 0 N--CA 1.477 0.9 0 C-N-CA 126.256 1.822 . . . . 0.0 114.384 -161.7 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 42.4 m -74.79 165.24 25.56 Favored 'General case' 0 N--CA 1.474 0.751 0 O-C-N 121.26 -0.9 . . . . 0.0 111.323 174.017 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -56.78 -32.99 66.19 Favored 'General case' 0 CA--C 1.543 0.679 0 N-CA-C 113.541 0.941 . . . . 0.0 113.541 176.858 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 43.9 m-85 -64.02 -34.33 77.75 Favored 'General case' 0 CA--C 1.539 0.524 0 C-N-CA 124.407 1.083 . . . . 0.0 112.674 174.828 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 46.2 mt-30 -78.46 -47.85 16.59 Favored 'General case' 0 CA--C 1.532 0.276 0 C-N-CA 124.311 1.044 . . . . 0.0 110.413 177.531 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 99.6 mt -60.37 -35.15 75.03 Favored 'General case' 0 CA--C 1.54 0.591 0 N-CA-C 113.028 0.751 . . . . 0.0 113.028 178.56 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 21.6 mt-10 -67.64 -27.41 66.85 Favored 'General case' 0 CA--C 1.542 0.662 0 N-CA-C 113.834 1.05 . . . . 0.0 113.834 173.879 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 97.0 m-20 -66.13 -28.47 68.82 Favored 'General case' 0 N--CA 1.473 0.676 0 CA-C-N 120.008 1.276 . . . . 0.0 111.955 176.152 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 87.3 m-85 -77.07 -10.88 59.67 Favored 'General case' 0 CA--C 1.545 0.783 0 C-N-CA 124.387 1.075 . . . . 0.0 113.701 174.545 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 23.1 t -72.16 -27.12 62.39 Favored 'General case' 0 CA--C 1.546 0.805 0 C-N-CA 123.747 0.819 . . . . 0.0 112.445 171.929 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 59.0 t-20 . . . . . 0 CA--C 1.543 0.695 0 C-N-CA 126.439 1.896 . . . . 0.0 113.622 178.889 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' B' B ' 1' ' ' PHE . . . . . . . . . . . . . 73.7 t80 . . . . . 0 CA--C 1.541 0.629 0 N-CA-C 112.346 0.499 . . . . 0.0 112.346 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' B' B ' 2' ' ' VAL . . . . . . . . . . . . . 59.3 t -134.41 128.82 52.21 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.758 0 C-N-CA 125.573 1.549 . . . . 0.0 108.582 173.12 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 3' ' ' ASN . . . . . . . . . . . . . 75.5 m-20 -58.29 122.05 12.26 Favored 'General case' 0 CA--C 1.539 0.52 0 C-N-CA 123.769 0.827 . . . . 0.0 112.333 -174.593 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 4' ' ' GLN . . . . . . . . . . . . . 6.2 pt20 -161.89 145.86 12.46 Favored 'General case' 0 CA--C 1.536 0.418 0 C-N-CA 126.039 1.736 . . . . 0.0 110.267 176.186 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 5' ' ' HIS . . . . . . . . . . . . . 35.6 m-70 -65.72 140.64 58.47 Favored 'General case' 0 N--CA 1.472 0.635 0 C-N-CA 123.785 0.834 . . . . 0.0 110.222 167.427 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 40.0 mt -134.69 129.17 34.36 Favored 'General case' 0 N--CA 1.469 0.516 0 C-N-CA 124.715 1.206 . . . . 0.0 111.369 -168.993 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 7' ' ' CYS . . . . . . . . . . . . . 80.0 m -138.1 148.97 45.52 Favored 'General case' 0 CA--C 1.539 0.541 0 C-N-CA 123.656 0.783 . . . . 0.0 112.145 -167.445 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 8' ' ' GLY . . . . . . . . . . . . . . . 54.16 -130.88 44.82 Favored Glycine 0 CA--C 1.536 1.348 0 C-N-CA 123.964 0.792 . . . . 0.0 113.871 173.898 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 9' ' ' SER . . . . . . . . . . . . . 12.6 t -60.5 -35.39 75.83 Favored 'General case' 0 N--CA 1.473 0.708 0 O-C-N 121.95 -0.735 . . . . 0.0 112.832 178.226 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 10' ' ' HIS . . . . . . . . . . . . . 31.3 m170 -63.96 -33.05 74.85 Favored 'General case' 0 N--CA 1.472 0.66 0 O-C-N 121.244 -0.91 . . . . 0.0 112.616 178.652 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 52.3 tp -69.07 -41.11 78.02 Favored 'General case' 0 CA--C 1.539 0.55 0 C-N-CA 124.241 1.016 . . . . 0.0 111.993 175.031 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 59.8 t -67.11 -40.93 86.37 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.781 0 C-N-CA 124.056 0.942 . . . . 0.0 111.23 176.29 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 52.2 mt-10 -66.43 -44.12 83.77 Favored 'General case' 0 N--CA 1.469 0.501 0 O-C-N 121.417 -0.802 . . . . 0.0 112.147 173.832 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -65.85 -36.03 82.31 Favored 'General case' 0 CA--C 1.538 0.486 0 N-CA-C 113.4 0.889 . . . . 0.0 113.4 -177.006 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 15' ' ' LEU . . . . . 0.42 ' HA ' HG12 ' B' ' 18' ' ' VAL . 3.3 pp -74.47 -32.71 62.66 Favored 'General case' 0 N--CA 1.471 0.59 0 CA-C-N 119.134 0.879 . . . . 0.0 111.517 177.83 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 16' ' ' TYR . . . . . . . . . . . . . 6.6 t80 -67.17 -41.17 86.42 Favored 'General case' 0 CA--C 1.542 0.656 0 C-N-CA 124.42 1.088 . . . . 0.0 111.186 172.699 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 47.6 mt -69.94 -46.22 65.77 Favored 'General case' 0 N--CA 1.466 0.37 0 C-N-CA 124.406 1.083 . . . . 0.0 112.426 178.61 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 18' ' ' VAL . . . . . 0.42 HG12 ' HA ' ' B' ' 15' ' ' LEU . 4.8 p -70.24 -27.76 33.2 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.855 0 O-C-N 121.492 -0.755 . . . . 0.0 111.928 -177.916 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 19' ' ' CYS . . . . . . . . . . . . . 37.6 t -82.0 -48.71 11.11 Favored 'General case' 0 CA--C 1.54 0.578 0 N-CA-C 113.593 0.96 . . . . 0.0 113.593 175.564 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.534 1.273 0 N-CA-C 115.631 1.012 . . . . 0.0 115.631 -171.545 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 9.2 tt . . . . . 0 N--CA 1.479 0.988 0 N-CA-C 113.491 0.922 . . . . 0.0 113.491 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 31.4 t -62.33 138.19 22.96 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.625 0 C-N-CA 124.28 1.032 . . . . 0.0 110.222 171.994 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 44.9 mt-10 58.44 13.26 2.39 Favored 'General case' 0 N--CA 1.477 0.91 0 N-CA-C 115.701 1.741 . . . . 0.0 115.701 -168.79 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 66.1 mm-40 -104.67 -58.27 1.91 Allowed 'General case' 0 N--CA 1.473 0.688 0 C-N-CA 124.337 1.055 . . . . 0.0 110.473 163.1 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 13.9 t -79.61 -12.9 59.82 Favored 'General case' 0 CA--C 1.549 0.931 0 O-C-N 121.285 -0.884 . . . . 0.0 113.36 176.625 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 5.2 t -70.74 -14.78 62.57 Favored 'General case' 0 CA--C 1.551 1.017 0 O-C-N 120.19 -1.568 . . . . 0.0 112.902 171.341 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 6.1 t -128.66 -4.48 5.27 Favored 'General case' 0 N--CA 1.481 1.104 0 C-N-CA 125.587 1.555 . . . . 0.0 114.463 -176.511 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 90.9 p -145.43 157.52 44.0 Favored 'General case' 0 N--CA 1.472 0.63 0 C-N-CA 125.775 1.63 . . . . 0.0 111.229 173.609 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 48.3 mt -72.88 137.92 22.47 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.769 0 O-C-N 120.726 -1.233 . . . . 0.0 110.995 179.825 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 30.8 p -125.91 142.65 51.42 Favored 'General case' 0 CA--C 1.543 0.687 0 C-N-CA 124.545 1.138 . . . . 0.0 111.667 166.979 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 6.9 m -95.58 159.86 14.79 Favored 'General case' 0 N--CA 1.472 0.628 0 C-N-CA 125.685 1.594 . . . . 0.0 110.956 177.768 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 2.6 pt? -58.35 -31.38 67.55 Favored 'General case' 0 CA--C 1.544 0.735 0 O-C-N 121.09 -1.006 . . . . 0.0 113.357 177.46 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 26.8 m-85 -68.1 -25.12 65.16 Favored 'General case' 0 CA--C 1.542 0.662 0 C-N-CA 124.69 1.196 . . . . 0.0 113.363 174.685 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 44.3 mt-30 -84.54 -37.86 20.73 Favored 'General case' 0 N--CA 1.469 0.477 0 C-N-CA 124.888 1.275 . . . . 0.0 111.221 175.36 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 77.4 mt -54.32 -33.48 58.98 Favored 'General case' 0 CA--C 1.545 0.766 0 C-N-CA 124.156 0.982 . . . . 0.0 112.721 174.032 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 42.3 mt-10 -60.21 -24.82 65.13 Favored 'General case' 0 N--CA 1.473 0.692 0 N-CA-C 114.163 1.172 . . . . 0.0 114.163 175.144 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 81.8 m-20 -76.2 -20.98 56.99 Favored 'General case' 0 CA--C 1.543 0.69 0 O-C-N 121.315 -0.866 . . . . 0.0 112.633 176.623 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 96.1 m-85 -94.45 -34.87 12.56 Favored 'General case' 0 CA--C 1.539 0.521 0 C-N-CA 124.789 1.236 . . . . 0.0 113.126 -178.731 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 14.9 p -70.04 -29.89 67.02 Favored 'General case' 0 CA--C 1.542 0.671 0 N-CA-C 113.841 1.052 . . . . 0.0 113.841 -174.832 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 54.8 t-20 . . . . . 0 CA--C 1.541 0.622 0 C-N-CA 125.938 1.695 . . . . 0.0 111.444 -179.134 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' B' B ' 1' ' ' PHE . . . . . . . . . . . . . 34.2 t80 . . . . . 0 CA--C 1.54 0.567 0 N-CA-C 111.937 0.347 . . . . 0.0 111.937 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' B' B ' 2' ' ' VAL . . . . . . . . . . . . . 18.0 m -135.7 135.69 50.91 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.792 0 C-N-CA 124.947 1.299 . . . . 0.0 110.224 167.561 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 3' ' ' ASN . . . . . . . . . . . . . 11.9 m-20 -61.97 140.5 58.33 Favored 'General case' 0 N--CA 1.466 0.329 0 CA-C-O 121.634 0.731 . . . . 0.0 112.559 -178.339 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 4' ' ' GLN . . . . . . . . . . . . . 6.7 pt20 -166.33 164.66 17.55 Favored 'General case' 0 CA--C 1.537 0.453 0 C-N-CA 126.05 1.74 . . . . 0.0 109.757 179.993 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 5' ' ' HIS . . . . . . . . . . . . . 24.3 m-70 -72.04 74.37 0.91 Allowed 'General case' 0 CA--C 1.546 0.813 0 C-N-CA 125.381 1.473 . . . . 0.0 110.96 168.098 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 70.9 mt -63.2 137.2 58.14 Favored 'General case' 0 N--CA 1.472 0.658 0 C-N-CA 124.344 1.058 . . . . 0.0 111.756 -179.03 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 7' ' ' CYS . . . . . . . . . . . . . 8.4 t -148.84 159.05 44.53 Favored 'General case' 0 CA--C 1.541 0.629 0 C-N-CA 123.277 0.631 . . . . 0.0 112.681 -178.437 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 8' ' ' GLY . . . . . . . . . . . . . . . 56.73 -137.37 48.61 Favored Glycine 0 CA--C 1.532 1.144 0 C-N-CA 124.455 1.026 . . . . 0.0 113.422 176.051 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 9' ' ' SER . . . . . . . . . . . . . 20.2 m -58.53 -33.17 69.57 Favored 'General case' 0 N--CA 1.471 0.602 0 C-N-CA 123.767 0.827 . . . . 0.0 113.12 178.971 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 10' ' ' HIS . . . . . . . . . . . . . 27.9 m-70 -66.78 -37.6 84.89 Favored 'General case' 0 N--CA 1.473 0.711 0 CA-C-N 118.853 0.751 . . . . 0.0 112.021 179.104 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 48.2 tp -66.0 -43.82 86.6 Favored 'General case' 0 CA--C 1.537 0.463 0 C-N-CA 124.176 0.99 . . . . 0.0 112.085 175.468 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 92.2 t -67.71 -44.37 85.93 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.704 0 C-N-CA 123.848 0.859 . . . . 0.0 111.074 178.455 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 39.1 mt-10 -65.34 -39.73 92.75 Favored 'General case' 0 N--CA 1.468 0.459 0 O-C-N 121.61 -0.681 . . . . 0.0 112.152 176.881 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -63.67 -39.61 94.76 Favored 'General case' 0 CA--C 1.542 0.638 0 CA-C-N 119.169 0.895 . . . . 0.0 113.006 -179.358 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 15' ' ' LEU . . . . . 0.432 ' HA ' HG12 ' B' ' 18' ' ' VAL . 3.7 pp -79.17 -31.57 43.96 Favored 'General case' 0 N--CA 1.469 0.523 0 O-C-N 121.761 -0.587 . . . . 0.0 111.908 179.163 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 16' ' ' TYR . . . . . . . . . . . . . 4.6 t80 -63.11 -39.65 95.33 Favored 'General case' 0 CA--C 1.538 0.487 0 C-N-CA 123.91 0.884 . . . . 0.0 111.556 170.146 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 36.9 mt -70.9 -51.18 27.72 Favored 'General case' 0 N--CA 1.465 0.287 0 C-N-CA 123.63 0.772 . . . . 0.0 111.9 179.961 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 18' ' ' VAL . . . . . 0.432 HG12 ' HA ' ' B' ' 15' ' ' LEU . 9.1 p -65.2 -31.89 55.86 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.798 0 N-CA-C 112.152 0.427 . . . . 0.0 112.152 -174.492 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 19' ' ' CYS . . . . . . . . . . . . . 73.8 m -92.33 -26.15 18.23 Favored 'General case' 0 CA--C 1.543 0.699 0 N-CA-C 114.115 1.154 . . . . 0.0 114.115 178.616 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.537 1.431 0 C-N-CA 124.774 1.178 . . . . 0.0 114.84 178.778 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 2' ' ' ILE . . . . . 0.472 HD13 ' CE2' ' A' ' 19' ' ' TYR . 6.0 tp . . . . . 0 N--CA 1.48 1.066 0 N-CA-C 112.886 0.699 . . . . 0.0 112.886 . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 24.6 t -66.54 138.92 22.03 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.734 0 C-N-CA 124.163 0.985 . . . . 0.0 110.582 173.647 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 44.6 mt-10 56.2 24.17 7.81 Favored 'General case' 0 N--CA 1.477 0.883 0 C-N-CA 125.669 1.588 . . . . 0.0 114.669 -169.15 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 21.9 mm-40 -116.21 -57.9 2.16 Favored 'General case' 0 N--CA 1.471 0.588 0 C-N-CA 124.499 1.119 . . . . 0.0 110.635 162.682 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 14.7 t -79.76 -10.36 59.78 Favored 'General case' 0 CA--C 1.549 0.911 0 N-CA-C 113.789 1.033 . . . . 0.0 113.789 179.368 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 21.5 t -83.47 -7.59 59.52 Favored 'General case' 0 CA--C 1.551 0.992 0 O-C-N 120.772 -1.205 . . . . 0.0 113.136 171.703 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 8.2 t -123.59 -17.72 6.36 Favored 'General case' 0 N--CA 1.483 1.176 0 C-N-CA 124.982 1.313 . . . . 0.0 114.346 176.561 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 71.1 m -134.98 156.98 48.09 Favored 'General case' 0 N--CA 1.473 0.707 0 C-N-CA 126.259 1.824 . . . . 0.0 110.741 174.195 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 67.1 mt -69.01 141.7 17.08 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.881 0 O-C-N 120.918 -1.114 . . . . 0.0 110.631 176.457 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 19.5 p -131.66 151.71 51.41 Favored 'General case' 0 CA--C 1.542 0.654 0 C-N-CA 124.051 0.94 . . . . 0.0 112.704 168.891 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 70.5 m -107.72 166.81 10.41 Favored 'General case' 0 N--CA 1.474 0.725 0 C-N-CA 126.064 1.746 . . . . 0.0 112.753 178.835 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 92.7 mt -47.06 -45.6 21.85 Favored 'General case' 0 N--CA 1.474 0.754 0 C-N-CA 125.883 1.673 . . . . 0.0 112.078 176.96 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 39.8 m-85 -67.78 -29.65 68.89 Favored 'General case' 0 CA--C 1.538 0.505 0 C-N-CA 124.834 1.254 . . . . 0.0 112.818 -176.494 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 46.5 mt-30 -77.01 -42.26 39.38 Favored 'General case' 0 N--CA 1.464 0.235 0 C-N-CA 123.767 0.827 . . . . 0.0 110.596 176.814 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 85.6 mt -57.98 -39.91 79.38 Favored 'General case' 0 CA--C 1.542 0.642 0 C-N-CA 123.534 0.734 . . . . 0.0 112.009 174.389 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 44.1 mt-10 -61.61 -28.01 69.06 Favored 'General case' 0 N--CA 1.473 0.697 0 N-CA-C 113.702 1.001 . . . . 0.0 113.702 174.042 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 13.5 m-80 -73.1 -22.89 60.48 Favored 'General case' 0 CA--C 1.543 0.697 0 CA-C-N 119.328 0.967 . . . . 0.0 112.941 175.279 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 19' ' ' TYR . . . . . 0.472 ' CE2' HD13 ' A' ' 2' ' ' ILE . 98.5 m-85 -79.75 -34.27 40.01 Favored 'General case' 0 N--CA 1.473 0.69 0 CA-C-N 119.114 0.87 . . . . 0.0 111.983 169.784 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 85.5 m -69.38 -35.95 76.32 Favored 'General case' 0 CA--C 1.543 0.685 0 C-N-CA 123.791 0.836 . . . . 0.0 112.677 174.218 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 47.9 t30 . . . . . 0 CA--C 1.547 0.833 0 C-N-CA 127.474 2.309 . . . . 0.0 113.859 175.848 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' B' B ' 1' ' ' PHE . . . . . . . . . . . . . 21.7 t80 . . . . . 0 CA--C 1.538 0.493 0 CA-C-O 120.777 0.322 . . . . 0.0 111.865 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' B' B ' 2' ' ' VAL . . . . . . . . . . . . . 25.1 m -136.7 144.44 32.5 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.818 0 C-N-CA 125.22 1.408 . . . . 0.0 109.85 166.64 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 3' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -49.8 125.41 11.69 Favored 'General case' 0 N--CA 1.47 0.564 0 C-N-CA 123.694 0.798 . . . . 0.0 113.008 177.592 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 4' ' ' GLN . . . . . . . . . . . . . 7.2 pt20 -162.39 152.62 16.67 Favored 'General case' 0 CA--C 1.534 0.364 0 C-N-CA 125.184 1.394 . . . . 0.0 110.286 177.956 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 5' ' ' HIS . . . . . . . . . . . . . 28.5 m-70 -67.68 143.73 55.82 Favored 'General case' 0 CA--C 1.541 0.63 0 C-N-CA 124.103 0.961 . . . . 0.0 109.819 161.072 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 66.5 mt -136.65 135.93 38.7 Favored 'General case' 0 N--CA 1.471 0.61 0 C-N-CA 125.251 1.42 . . . . 0.0 110.835 -175.54 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 7' ' ' CYS . . . . . . . . . . . . . 79.6 m -136.77 152.89 50.82 Favored 'General case' 0 CA--C 1.54 0.578 0 C-N-CA 124.595 1.158 . . . . 0.0 111.89 -172.302 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 8' ' ' GLY . . . . . . . . . . . . . . . 51.89 -129.05 34.47 Favored Glycine 0 CA--C 1.536 1.356 0 C-N-CA 124.101 0.858 . . . . 0.0 114.218 170.09 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 9' ' ' SER . . . . . . . . . . . . . 8.0 t -58.83 -39.88 82.51 Favored 'General case' 0 N--CA 1.472 0.657 0 C-N-CA 123.465 0.706 . . . . 0.0 112.425 178.493 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 10' ' ' HIS . . . . . . . . . . . . . 32.5 m170 -61.17 -35.51 77.33 Favored 'General case' 0 N--CA 1.473 0.713 0 O-C-N 121.4 -0.813 . . . . 0.0 112.529 178.944 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 40.3 tp -70.71 -43.45 68.96 Favored 'General case' 0 CA--C 1.537 0.454 0 C-N-CA 124.004 0.922 . . . . 0.0 112.243 176.857 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 85.0 t -65.19 -43.65 95.44 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.727 0 C-N-CA 123.695 0.798 . . . . 0.0 110.874 176.018 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 33.4 mt-10 -64.35 -41.72 96.6 Favored 'General case' 0 N--CA 1.47 0.535 0 C-N-CA 124.309 1.044 . . . . 0.0 112.055 177.856 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -62.79 -39.84 95.49 Favored 'General case' 0 CA--C 1.541 0.617 0 O-C-N 121.559 -0.713 . . . . 0.0 112.76 179.199 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 15' ' ' LEU . . . . . 0.404 ' HA ' HG12 ' B' ' 18' ' ' VAL . 3.9 pp -79.63 -34.33 40.64 Favored 'General case' 0 N--CA 1.468 0.463 0 CA-C-N 118.267 0.485 . . . . 0.0 111.602 179.08 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 16' ' ' TYR . . . . . . . . . . . . . 4.8 t80 -58.56 -39.01 79.05 Favored 'General case' 0 CA--C 1.54 0.578 0 C-N-CA 123.999 0.92 . . . . 0.0 111.966 171.428 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 36.5 mt -70.85 -50.08 39.18 Favored 'General case' 0 N--CA 1.465 0.319 0 C-N-CA 123.33 0.652 . . . . 0.0 112.3 -178.819 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 18' ' ' VAL . . . . . 0.404 HG12 ' HA ' ' B' ' 15' ' ' LEU . 10.5 p -71.39 -32.99 48.48 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.66 0 C-N-CA 123.254 0.621 . . . . 0.0 112.507 -176.156 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 19' ' ' CYS . . . . . . . . . . . . . 81.6 m -90.77 -26.26 19.56 Favored 'General case' 0 CA--C 1.543 0.69 0 N-CA-C 113.346 0.869 . . . . 0.0 113.346 -178.53 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.537 1.42 0 C-N-CA 125.281 1.419 . . . . 0.0 114.876 174.668 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 10.2 tt . . . . . 0 N--CA 1.477 0.911 0 N-CA-C 115.268 1.581 . . . . 0.0 115.268 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 7.1 p -71.04 -39.82 75.14 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.958 0 CA-C-N 119.092 0.86 . . . . 0.0 112.67 -174.953 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 47.3 mt-10 -76.83 -6.7 53.4 Favored 'General case' 0 N--CA 1.474 0.758 0 N-CA-C 113.734 1.012 . . . . 0.0 113.734 176.174 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 40.7 mt-30 -90.24 -57.31 2.89 Favored 'General case' 0 CA--C 1.538 0.486 0 C-N-CA 124.492 1.117 . . . . 0.0 110.527 164.013 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 76.4 m -110.54 36.1 3.22 Favored 'General case' 0 CA--C 1.545 0.771 0 N-CA-C 114.66 1.355 . . . . 0.0 114.66 -168.22 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 45.0 t -110.82 -18.36 13.13 Favored 'General case' 0 CA--C 1.552 1.049 0 O-C-N 121.323 -0.861 . . . . 0.0 112.904 146.085 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 6.2 t -114.4 -21.68 10.25 Favored 'General case' 0 N--CA 1.483 1.206 0 N-CA-C 114.837 1.421 . . . . 0.0 114.837 -171.242 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 58.2 m -131.11 162.16 30.5 Favored 'General case' 0 N--CA 1.475 0.788 0 C-N-CA 125.652 1.581 . . . . 0.0 111.69 175.832 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 14.0 mt -61.56 130.0 25.2 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.711 0 C-N-CA 123.759 0.823 . . . . 0.0 111.268 176.061 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -90.74 165.65 13.56 Favored 'General case' 0 CA--C 1.539 0.522 0 C-N-CA 124.98 1.312 . . . . 0.0 111.506 173.365 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 76.5 p -126.15 162.42 25.42 Favored 'General case' 0 N--CA 1.469 0.503 0 C-N-CA 124.331 1.053 . . . . 0.0 111.839 168.077 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 1.7 pt? -53.63 -32.42 51.27 Favored 'General case' 0 CA--C 1.534 0.332 0 C-N-CA 123.071 0.548 . . . . 0.0 112.423 165.476 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 28.2 m-85 -69.5 -39.55 77.53 Favored 'General case' 0 CA--C 1.537 0.453 0 C-N-CA 122.943 0.497 . . . . 0.0 111.522 178.639 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 40.5 mt-30 -67.2 -45.29 77.31 Favored 'General case' 0 N--CA 1.47 0.538 0 O-C-N 121.361 -0.837 . . . . 0.0 110.873 173.995 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 74.8 mt -60.74 -36.97 80.21 Favored 'General case' 0 CA--C 1.543 0.7 0 C-N-CA 123.762 0.825 . . . . 0.0 112.278 177.418 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 30.5 mt-10 -65.68 -37.46 86.57 Favored 'General case' 0 CA--C 1.543 0.694 0 C-N-CA 124.219 1.008 . . . . 0.0 112.656 173.054 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 20.6 m-80 -66.08 -36.4 83.09 Favored 'General case' 0 CA--C 1.54 0.587 0 O-C-N 121.233 -0.917 . . . . 0.0 111.995 172.452 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 20.8 m-85 -72.73 -40.21 66.27 Favored 'General case' 0 CA--C 1.538 0.481 0 N-CA-C 112.807 0.669 . . . . 0.0 112.807 179.473 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 13.6 p -74.21 -38.28 63.63 Favored 'General case' 0 CA--C 1.543 0.68 0 N-CA-C 112.789 0.662 . . . . 0.0 112.789 -177.343 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 49.6 t30 . . . . . 0 CA--C 1.549 0.915 0 C-N-CA 127.34 2.256 . . . . 0.0 113.504 178.468 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' B' B ' 1' ' ' PHE . . . . . . . . . . . . . 64.5 t80 . . . . . 0 CA--C 1.541 0.632 0 N-CA-C 112.368 0.507 . . . . 0.0 112.368 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' B' B ' 2' ' ' VAL . . . . . . . . . . . . . 21.1 m -134.83 139.24 47.86 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.741 0 C-N-CA 125.137 1.375 . . . . 0.0 110.383 167.411 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 3' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -51.06 130.45 25.89 Favored 'General case' 0 N--CA 1.47 0.561 0 C-N-CA 124.326 1.051 . . . . 0.0 113.783 -179.628 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 4' ' ' GLN . . . . . . . . . . . . . 8.3 pt20 -162.41 151.08 14.87 Favored 'General case' 0 CA--C 1.537 0.473 0 C-N-CA 125.298 1.439 . . . . 0.0 110.991 178.637 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 5' ' ' HIS . . . . . . . . . . . . . 48.6 m-70 -66.17 -38.7 88.7 Favored 'General case' 0 N--CA 1.476 0.872 0 N-CA-C 114.807 1.41 . . . . 0.0 114.807 -178.372 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 41.0 mt 56.29 179.62 0.04 OUTLIER 'General case' 0 CA--C 1.553 1.068 0 C-N-CA 126.028 1.731 . . . . 0.0 112.662 -167.009 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 7' ' ' CYS . . . . . . . . . . . . . 12.9 t -162.53 -179.63 7.06 Favored 'General case' 0 CA--C 1.549 0.908 0 C-N-CA 126.401 1.881 . . . . 0.0 109.189 160.851 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 8' ' ' GLY . . . . . . . . . . . . . . . -48.61 147.5 5.14 Favored Glycine 0 CA--C 1.531 1.055 0 C-N-CA 125.149 1.357 . . . . 0.0 116.222 -177.204 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 9' ' ' SER . . . . . . . . . . . . . 52.8 p 59.03 -35.86 0.06 Allowed 'General case' 0 N--CA 1.479 0.986 0 C-N-CA 128.853 2.861 . . . . 0.0 115.464 -165.803 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 10' ' ' HIS . . . . . . . . . . . . . 26.9 m-70 -73.5 -36.88 65.82 Favored 'General case' 0 N--CA 1.479 0.987 0 O-C-N 121.223 -0.923 . . . . 0.0 110.921 174.387 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 48.3 tp -63.72 -34.62 78.28 Favored 'General case' 0 CA--C 1.542 0.64 0 C-N-CA 127.769 2.428 . . . . 0.0 112.459 171.525 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 40.9 t -72.43 -38.61 61.01 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.859 0 C-N-CA 124.021 0.928 . . . . 0.0 110.843 175.574 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 43.4 mt-10 -66.53 -40.55 89.17 Favored 'General case' 0 CA--C 1.539 0.553 0 O-C-N 121.317 -0.864 . . . . 0.0 112.022 170.226 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -61.19 -40.67 94.81 Favored 'General case' 0 CA--C 1.542 0.656 0 O-C-N 121.281 -0.887 . . . . 0.0 113.011 -179.627 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 3.9 pp -75.4 -34.5 61.08 Favored 'General case' 0 N--CA 1.47 0.544 0 O-C-N 121.709 -0.62 . . . . 0.0 112.064 177.795 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 16' ' ' TYR . . . . . . . . . . . . . 1.0 OUTLIER -61.96 -40.51 95.83 Favored 'General case' 0 CA--C 1.54 0.571 0 C-N-CA 123.414 0.686 . . . . 0.0 111.414 171.792 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 38.2 mt -70.31 -46.17 64.77 Favored 'General case' 0 CA--C 1.533 0.294 0 C-N-CA 123.874 0.87 . . . . 0.0 112.587 -178.445 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 18' ' ' VAL . . . . . . . . . . . . . 9.7 p -74.59 -27.37 20.87 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.745 0 N-CA-C 112.865 0.691 . . . . 0.0 112.865 -175.423 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 19' ' ' CYS . . . . . . . . . . . . . 78.8 m -99.29 -27.13 13.92 Favored 'General case' 0 CA--C 1.541 0.605 0 N-CA-C 114.651 1.352 . . . . 0.0 114.651 -179.807 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.538 1.497 0 C-N-CA 124.888 1.233 . . . . 0.0 114.724 -170.197 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 15.9 tt . . . . . 0 N--CA 1.479 0.988 0 N-CA-C 112.875 0.695 . . . . 0.0 112.875 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 42.4 t -67.25 146.78 12.92 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.7 0 C-N-CA 124.299 1.04 . . . . 0.0 109.727 164.097 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 43.9 mt-10 61.37 7.15 1.62 Allowed 'General case' 0 N--CA 1.482 1.134 0 C-N-CA 125.91 1.684 . . . . 0.0 115.478 -164.986 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 1.7 mp0 -113.74 -42.93 3.35 Favored 'General case' 0 N--CA 1.475 0.784 0 C-N-CA 125.365 1.466 . . . . 0.0 112.293 167.817 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 75.7 m -98.92 -24.9 14.78 Favored 'General case' 0 N--CA 1.476 0.845 0 N-CA-C 113.64 0.978 . . . . 0.0 113.64 177.256 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 65.3 m -71.05 -5.67 33.13 Favored 'General case' 0 CA--C 1.55 0.95 0 O-C-N 121.128 -0.982 . . . . 0.0 113.007 173.682 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 45.3 p -133.05 -26.54 1.71 Allowed 'General case' 0 N--CA 1.476 0.856 0 C-N-CA 126.693 1.997 . . . . 0.0 113.351 -160.787 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 66.0 m -139.3 156.71 46.85 Favored 'General case' 0 N--CA 1.47 0.566 0 C-N-CA 127.769 2.428 . . . . 0.0 109.409 170.789 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 11.7 mt -64.05 140.54 19.51 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.791 0 O-C-N 121.15 -0.969 . . . . 0.0 111.297 179.751 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 61.8 m -121.16 104.76 10.0 Favored 'General case' 0 CA--C 1.538 0.509 0 C-N-CA 124.771 1.229 . . . . 0.0 111.413 172.885 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 49.6 m -75.36 169.52 17.9 Favored 'General case' 0 N--CA 1.473 0.703 0 C-N-CA 125.507 1.523 . . . . 0.0 111.891 171.698 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 88.8 mt -46.59 -46.06 19.33 Favored 'General case' 0 N--CA 1.474 0.74 0 C-N-CA 124.563 1.145 . . . . 0.0 111.589 173.989 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 54.9 m-85 -67.39 -21.35 65.6 Favored 'General case' 0 CA--C 1.541 0.623 0 C-N-CA 125.19 1.396 . . . . 0.0 114.183 -176.985 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 42.9 mt-30 -87.73 -46.95 9.03 Favored 'General case' 0 N--CA 1.469 0.512 0 C-N-CA 125.277 1.431 . . . . 0.0 110.524 173.617 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 96.2 mt -60.16 -29.68 68.82 Favored 'General case' 0 CA--C 1.546 0.809 0 C-N-CA 124.792 1.237 . . . . 0.0 113.08 176.605 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 26.1 mt-10 -54.87 -31.89 60.17 Favored 'General case' 0 N--CA 1.474 0.754 0 C-N-CA 125.0 1.32 . . . . 0.0 114.024 171.559 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 51.4 m-80 -69.6 -30.89 68.75 Favored 'General case' 0 N--CA 1.472 0.672 0 CA-C-N 119.487 1.039 . . . . 0.0 111.944 178.547 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 74.8 m-85 -81.46 -25.9 35.7 Favored 'General case' 0 CA--C 1.541 0.612 0 C-N-CA 124.01 0.924 . . . . 0.0 112.559 175.537 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 39.0 t -67.72 -45.68 74.37 Favored 'General case' 0 CA--C 1.543 0.702 0 C-N-CA 123.874 0.87 . . . . 0.0 111.733 166.414 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 50.7 t-20 . . . . . 0 CA--C 1.542 0.639 0 C-N-CA 125.262 1.425 . . . . 0.0 111.409 178.903 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' B' B ' 1' ' ' PHE . . . . . . . . . . . . . 36.1 t80 . . . . . 0 CA--C 1.54 0.559 0 CA-C-O 121.125 0.488 . . . . 0.0 112.263 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' B' B ' 2' ' ' VAL . . . . . . . . . . . . . 59.8 t -132.95 123.02 47.6 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.659 0 C-N-CA 125.854 1.661 . . . . 0.0 107.286 165.787 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 3' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -67.68 153.7 43.13 Favored 'General case' 0 CA--C 1.539 0.544 0 N-CA-C 114.761 1.393 . . . . 0.0 114.761 -172.303 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 4' ' ' GLN . . . . . . . . . . . . . 10.3 pt20 -154.44 -157.56 0.77 Allowed 'General case' 0 CA--C 1.542 0.649 0 C-N-CA 128.806 2.842 . . . . 0.0 106.102 166.83 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 5' ' ' HIS . . . . . . . . . . . . . 22.1 m-70 -81.48 74.56 8.47 Favored 'General case' 0 C--N 1.32 -0.679 0 C-N-CA 125.686 1.595 . . . . 0.0 110.679 175.743 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -65.87 139.31 58.28 Favored 'General case' 0 N--CA 1.472 0.666 0 O-C-N 121.61 -0.681 . . . . 0.0 112.085 -172.017 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 7' ' ' CYS . . . . . . . . . . . . . 2.5 t -147.34 152.05 37.57 Favored 'General case' 0 CA--C 1.54 0.596 0 C-N-CA 123.596 0.758 . . . . 0.0 111.771 177.534 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 8' ' ' GLY . . . . . . . . . . . . . . . 55.11 -129.51 45.9 Favored Glycine 0 CA--C 1.535 1.296 0 C-N-CA 123.925 0.774 . . . . 0.0 113.339 -179.388 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 9' ' ' SER . . . . . . . . . . . . . 18.4 m -56.93 -37.49 71.56 Favored 'General case' 0 N--CA 1.472 0.643 0 C-N-CA 124.759 1.224 . . . . 0.0 113.419 178.49 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 10' ' ' HIS . . . . . . . . . . . . . 28.0 m80 -66.55 -30.34 70.62 Favored 'General case' 0 N--CA 1.471 0.589 0 O-C-N 121.121 -0.987 . . . . 0.0 112.136 177.111 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -72.23 -50.59 26.17 Favored 'General case' 0 CA--C 1.536 0.404 0 C-N-CA 124.331 1.052 . . . . 0.0 111.201 174.631 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 1.3 p -67.06 -36.81 77.99 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.647 0 N-CA-C 112.187 0.44 . . . . 0.0 112.187 -175.011 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 40.9 mt-10 -68.75 -40.84 79.59 Favored 'General case' 0 CA--C 1.538 0.515 0 O-C-N 121.603 -0.686 . . . . 0.0 112.289 173.546 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -64.71 -38.72 91.95 Favored 'General case' 0 CA--C 1.54 0.594 0 O-C-N 121.267 -0.896 . . . . 0.0 112.719 179.044 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 2.1 pp -76.17 -34.25 59.35 Favored 'General case' 0 N--CA 1.469 0.479 0 O-C-N 121.734 -0.604 . . . . 0.0 111.237 177.455 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 16' ' ' TYR . . . . . . . . . . . . . 2.2 t80 -60.14 -39.4 86.17 Favored 'General case' 0 CA--C 1.54 0.585 0 C-N-CA 123.656 0.782 . . . . 0.0 111.926 172.399 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 34.1 mt -67.05 -47.2 72.07 Favored 'General case' 0 N--CA 1.465 0.32 0 C-N-CA 123.356 0.662 . . . . 0.0 111.447 -178.038 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 18' ' ' VAL . . . . . . . . . . . . . 7.9 p -72.88 -31.63 36.83 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.605 0 N-CA-C 112.672 0.619 . . . . 0.0 112.672 178.79 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 19' ' ' CYS . . . . . . . . . . . . . 4.2 t -76.51 -25.77 54.53 Favored 'General case' 0 CA--C 1.544 0.734 0 O-C-N 121.647 -0.658 . . . . 0.0 112.687 177.809 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.541 1.682 0 C-N-CA 124.93 1.252 . . . . 0.0 114.358 165.108 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 15.2 tt . . . . . 0 N--CA 1.476 0.869 0 N-CA-C 114.145 1.165 . . . . 0.0 114.145 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 8.3 p -62.6 -44.94 99.83 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.955 0 O-C-N 121.422 -0.799 . . . . 0.0 112.485 -168.419 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 12.3 pt-20 -69.38 -17.59 63.69 Favored 'General case' 0 CA--C 1.548 0.873 0 N-CA-C 113.776 1.028 . . . . 0.0 113.776 176.357 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -88.86 -29.0 19.99 Favored 'General case' 0 N--CA 1.47 0.543 0 C-N-CA 125.181 1.393 . . . . 0.0 113.002 176.828 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 95.0 m -113.65 -30.55 6.77 Favored 'General case' 0 CA--C 1.543 0.688 0 N-CA-C 114.726 1.38 . . . . 0.0 114.726 -172.819 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 14.9 t -82.61 -27.78 31.23 Favored 'General case' 0 N--CA 1.474 0.759 0 CA-C-N 119.663 1.119 . . . . 0.0 113.182 -169.291 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 6.6 t -109.25 -14.6 14.45 Favored 'General case' 0 N--CA 1.48 1.065 0 C-N-CA 125.404 1.482 . . . . 0.0 113.874 -177.679 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 61.3 p -149.78 165.52 32.22 Favored 'General case' 0 N--CA 1.471 0.579 0 C-N-CA 126.173 1.789 . . . . 0.0 111.385 179.54 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 35.7 mt -66.69 137.65 24.44 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.819 0 O-C-N 121.357 -0.839 . . . . 0.0 111.401 -178.061 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 14.6 p -130.58 156.89 44.09 Favored 'General case' 0 CA--C 1.542 0.653 0 C-N-CA 124.327 1.051 . . . . 0.0 112.345 169.881 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 66.1 m -118.84 164.86 14.78 Favored 'General case' 0 N--CA 1.475 0.814 0 C-N-CA 124.664 1.186 . . . . 0.0 113.912 -164.231 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 81.1 mt -51.31 -40.29 58.69 Favored 'General case' 0 N--CA 1.474 0.765 0 C-N-CA 125.752 1.621 . . . . 0.0 112.709 -178.78 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 53.5 m-85 -63.1 -31.32 72.44 Favored 'General case' 0 CA--C 1.54 0.587 0 C-N-CA 124.235 1.014 . . . . 0.0 112.994 179.961 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 39.8 mt-30 -80.36 -43.57 20.89 Favored 'General case' 0 N--CA 1.468 0.451 0 C-N-CA 124.5 1.12 . . . . 0.0 110.422 174.585 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 67.6 mt -60.42 -35.88 76.84 Favored 'General case' 0 CA--C 1.544 0.726 0 C-N-CA 124.415 1.086 . . . . 0.0 112.808 179.553 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 42.0 mt-10 -63.6 -41.42 98.33 Favored 'General case' 0 N--CA 1.474 0.768 0 O-C-N 121.283 -0.886 . . . . 0.0 112.644 169.607 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 85.8 m-20 -68.09 -32.75 73.29 Favored 'General case' 0 CA--C 1.542 0.668 0 O-C-N 121.583 -0.698 . . . . 0.0 112.189 179.637 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 25.6 m-85 -70.97 -29.44 65.44 Favored 'General case' 0 N--CA 1.47 0.571 0 N-CA-C 112.825 0.676 . . . . 0.0 112.825 173.057 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 35.2 t -72.35 -43.86 63.45 Favored 'General case' 0 CA--C 1.545 0.76 0 O-C-N 121.669 -0.645 . . . . 0.0 111.872 171.368 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 50.6 t-20 . . . . . 0 CA--C 1.542 0.641 0 C-N-CA 125.153 1.381 . . . . 0.0 111.473 179.556 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' B' B ' 1' ' ' PHE . . . . . . . . . . . . . 33.3 t80 . . . . . 0 CA--C 1.539 0.528 0 N-CA-C 112.013 0.375 . . . . 0.0 112.013 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' B' B ' 2' ' ' VAL . . . . . . . . . . . . . 17.3 m -135.03 139.23 47.64 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.771 0 C-N-CA 125.309 1.444 . . . . 0.0 109.326 163.524 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 3' ' ' ASN . . . . . . . . . . . . . 40.8 p30 -63.97 150.1 45.88 Favored 'General case' 0 CA--C 1.533 0.296 0 CA-C-O 123.144 1.45 . . . . 0.0 113.267 176.274 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 4' ' ' GLN . . . . . . . . . . . . . 7.4 pt20 -167.52 166.79 14.04 Favored 'General case' 0 N--CA 1.444 -0.739 0 C-N-CA 127.521 2.328 . . . . 0.0 108.005 -170.742 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 5' ' ' HIS . . . . . 0.486 ' H ' ' CD2' ' B' ' 5' ' ' HIS . 12.9 m-70 -63.38 132.27 50.95 Favored 'General case' 0 C--N 1.321 -0.666 0 C-N-CA 125.572 1.549 . . . . 0.0 109.257 164.19 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 63.5 mt -138.02 128.34 26.16 Favored 'General case' 0 N--CA 1.467 0.422 0 C-N-CA 125.309 1.444 . . . . 0.0 110.787 -172.023 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 7' ' ' CYS . . . . . . . . . . . . . 1.8 t -152.61 160.76 43.18 Favored 'General case' 0 CA--C 1.542 0.635 0 C-N-CA 123.319 0.648 . . . . 0.0 112.166 -179.196 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 8' ' ' GLY . . . . . . . . . . . . . . . 58.72 -135.82 51.64 Favored Glycine 0 CA--C 1.536 1.369 0 C-N-CA 123.704 0.669 . . . . 0.0 113.09 -179.416 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 9' ' ' SER . . . . . . . . . . . . . 9.6 t -59.74 -37.78 79.9 Favored 'General case' 0 N--CA 1.474 0.728 0 O-C-N 121.965 -0.727 . . . . 0.0 112.424 177.984 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 10' ' ' HIS . . . . . . . . . . . . . 33.5 m80 -60.57 -36.18 77.88 Favored 'General case' 0 N--CA 1.473 0.712 0 O-C-N 121.513 -0.742 . . . . 0.0 112.631 179.47 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 47.2 tp -67.46 -42.33 83.21 Favored 'General case' 0 CA--C 1.536 0.426 0 C-N-CA 124.186 0.995 . . . . 0.0 112.507 175.947 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 68.8 t -67.61 -42.91 87.14 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.672 0 C-N-CA 123.803 0.841 . . . . 0.0 110.732 176.428 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 33.5 mt-10 -64.31 -42.01 96.56 Favored 'General case' 0 CA--C 1.537 0.478 0 C-N-CA 124.311 1.044 . . . . 0.0 111.995 177.021 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -63.62 -38.71 92.14 Favored 'General case' 0 CA--C 1.539 0.541 0 O-C-N 121.402 -0.811 . . . . 0.0 113.169 -179.92 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 3.9 pp -78.89 -31.85 45.58 Favored 'General case' 0 N--CA 1.47 0.531 0 CA-C-N 118.559 0.618 . . . . 0.0 111.945 177.151 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 16' ' ' TYR . . . . . . . . . . . . . 3.0 t80 -62.82 -40.1 96.37 Favored 'General case' 0 CA--C 1.539 0.549 0 C-N-CA 123.796 0.838 . . . . 0.0 111.861 171.454 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 30.0 mt -68.86 -45.68 70.44 Favored 'General case' 0 N--CA 1.467 0.4 0 C-N-CA 123.715 0.806 . . . . 0.0 111.846 -176.899 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 18' ' ' VAL . . . . . . . . . . . . . 10.6 p -73.26 -33.78 42.23 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.609 0 C-N-CA 122.932 0.493 . . . . 0.0 112.258 -179.926 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 19' ' ' CYS . . . . . . . . . . . . . 9.2 t -81.11 -31.63 34.19 Favored 'General case' 0 CA--C 1.541 0.629 0 N-CA-C 112.814 0.672 . . . . 0.0 112.814 -178.436 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.536 1.384 0 C-N-CA 125.222 1.392 . . . . 0.0 115.167 175.218 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 6.2 tp . . . . . 0 N--CA 1.479 1.008 0 N-CA-C 114.465 1.283 . . . . 0.0 114.465 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 8.3 t -71.14 -54.52 17.23 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.01 0 O-C-N 121.169 -0.957 . . . . 0.0 111.279 -176.444 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 24.3 pt-20 -68.42 -9.39 48.15 Favored 'General case' 0 CA--C 1.542 0.665 0 C-N-CA 125.203 1.401 . . . . 0.0 113.992 -179.353 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 42.2 mt-30 -98.42 -42.62 7.26 Favored 'General case' 0 CA--C 1.54 0.562 0 C-N-CA 124.776 1.23 . . . . 0.0 112.304 172.696 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 78.2 m -99.32 -11.51 21.17 Favored 'General case' 0 CA--C 1.544 0.729 0 N-CA-C 115.97 1.841 . . . . 0.0 115.97 -175.47 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 43.2 t -90.68 -25.1 20.24 Favored 'General case' 0 N--CA 1.477 0.916 0 CA-C-N 119.835 1.198 . . . . 0.0 112.635 175.477 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 12.0 t -80.5 -31.5 37.18 Favored 'General case' 0 N--CA 1.478 0.933 0 C-N-CA 124.532 1.133 . . . . 0.0 113.317 177.69 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 84.0 p -153.04 168.89 24.35 Favored 'General case' 0 N--CA 1.473 0.681 0 C-N-CA 125.691 1.596 . . . . 0.0 111.63 177.365 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 55.4 mt -58.32 139.39 18.06 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.823 0 C-N-CA 124.344 1.057 . . . . 0.0 111.951 -177.974 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 22.8 m -112.85 135.25 53.82 Favored 'General case' 0 CA--C 1.536 0.422 0 C-N-CA 124.331 1.052 . . . . 0.0 111.477 164.769 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 48.5 m -86.23 165.65 16.33 Favored 'General case' 0 N--CA 1.468 0.462 0 C-N-CA 125.199 1.399 . . . . 0.0 112.433 175.181 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . 0.488 HD12 ' H ' ' A' ' 13' ' ' LEU . 6.9 mp -47.29 -51.39 19.27 Favored 'General case' 0 N--CA 1.473 0.691 0 C-N-CA 124.812 1.245 . . . . 0.0 111.012 170.188 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 35.2 m-85 -60.57 -20.66 61.1 Favored 'General case' 0 CA--C 1.541 0.606 0 C-N-CA 127.018 2.127 . . . . 0.0 114.452 -179.258 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 44.8 mt-30 -89.75 -50.2 6.2 Favored 'General case' 0 N--CA 1.468 0.461 0 C-N-CA 125.269 1.427 . . . . 0.0 111.001 174.336 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 94.5 mt -59.67 -33.68 71.87 Favored 'General case' 0 CA--C 1.541 0.601 0 C-N-CA 124.33 1.052 . . . . 0.0 112.954 -179.442 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 35.8 mt-10 -62.0 -21.25 64.7 Favored 'General case' 0 CA--C 1.544 0.745 0 N-CA-C 114.597 1.332 . . . . 0.0 114.597 177.799 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 52.9 m-80 -72.33 -39.63 68.02 Favored 'General case' 0 N--CA 1.475 0.782 0 CA-C-N 119.674 1.125 . . . . 0.0 111.718 175.63 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 79.7 m-85 -67.91 -23.13 65.06 Favored 'General case' 0 CA--C 1.541 0.632 0 C-N-CA 124.594 1.158 . . . . 0.0 112.513 178.389 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 73.1 m -73.77 0.56 12.7 Favored 'General case' 0 CA--C 1.545 0.756 0 C-N-CA 125.728 1.611 . . . . 0.0 114.731 172.227 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 60.1 t30 . . . . . 0 CA--C 1.539 0.526 0 C-N-CA 126.239 1.815 . . . . 0.0 113.717 165.314 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' B' B ' 1' ' ' PHE . . . . . . . . . . . . . 74.3 t80 . . . . . 0 CA--C 1.54 0.591 0 N-CA-C 112.694 0.627 . . . . 0.0 112.694 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' B' B ' 2' ' ' VAL . . . . . . . . . . . . . 17.5 m -132.97 139.99 48.3 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.697 0 C-N-CA 125.58 1.552 . . . . 0.0 109.693 165.055 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 3' ' ' ASN . . . . . . . . . . . . . 5.9 m-20 -48.16 139.54 8.24 Favored 'General case' 0 CA--C 1.54 0.562 0 N-CA-C 114.1 1.148 . . . . 0.0 114.1 -173.165 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 4' ' ' GLN . . . . . . . . . . . . . 6.5 pt20 -168.63 166.32 11.89 Favored 'General case' 0 CA--C 1.539 0.55 0 C-N-CA 126.364 1.865 . . . . 0.0 109.772 176.611 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 5' ' ' HIS . . . . . . . . . . . . . 21.6 m-70 -70.93 140.47 50.97 Favored 'General case' 0 N--CA 1.472 0.66 0 C-N-CA 124.802 1.241 . . . . 0.0 109.787 162.736 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 75.8 mt -140.53 125.47 18.33 Favored 'General case' 0 N--CA 1.47 0.549 0 C-N-CA 124.232 1.013 . . . . 0.0 112.673 -167.198 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 7' ' ' CYS . . . . . . . . . . . . . 87.2 m -131.99 -93.64 0.37 Allowed 'General case' 0 CA--C 1.546 0.815 0 N-CA-C 114.023 1.12 . . . . 0.0 114.023 -167.575 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 8' ' ' GLY . . . . . . . . . . . . . . . -100.74 118.01 6.05 Favored Glycine 0 N--CA 1.471 0.991 0 C-N-CA 124.654 1.121 . . . . 0.0 112.898 -173.143 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 9' ' ' SER . . . . . . . . . . . . . 69.9 m 57.27 -35.13 0.04 OUTLIER 'General case' 0 N--CA 1.478 0.949 0 C-N-CA 129.515 3.126 . . . . 0.0 115.646 -170.815 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 10' ' ' HIS . . . . . . . . . . . . . 35.2 m170 -55.72 -39.96 71.79 Favored 'General case' 0 N--CA 1.47 0.555 0 C-N-CA 125.804 1.642 . . . . 0.0 111.511 174.335 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 63.5 tp -62.21 -37.7 86.34 Favored 'General case' 0 CA--C 1.538 0.485 0 C-N-CA 126.158 1.783 . . . . 0.0 113.545 177.179 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 41.0 t -75.78 -42.57 40.42 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.67 0 C-N-CA 123.644 0.777 . . . . 0.0 110.356 176.616 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 50.2 mt-10 -61.72 -41.95 98.3 Favored 'General case' 0 CA--C 1.537 0.449 0 C-N-CA 123.388 0.675 . . . . 0.0 112.1 175.804 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -62.65 -42.63 99.71 Favored 'General case' 0 CA--C 1.538 0.498 0 O-C-N 121.424 -0.797 . . . . 0.0 113.063 -179.165 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 15' ' ' LEU . . . . . 0.434 ' HA ' HG12 ' B' ' 18' ' ' VAL . 4.1 pp -76.22 -32.29 58.87 Favored 'General case' 0 CA--C 1.538 0.492 0 O-C-N 122.173 -0.329 . . . . 0.0 111.47 178.773 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 16' ' ' TYR . . . . . . . . . . . . . 1.2 t80 -61.14 -43.92 98.13 Favored 'General case' 0 CA--C 1.538 0.518 0 O-C-N 121.216 -0.928 . . . . 0.0 111.552 169.346 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 29.6 mt -67.89 -42.81 80.65 Favored 'General case' 0 CA--C 1.533 0.321 0 C-N-CA 123.681 0.792 . . . . 0.0 112.366 -175.574 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 18' ' ' VAL . . . . . 0.434 HG12 ' HA ' ' B' ' 15' ' ' LEU . 9.3 p -75.56 -28.02 19.48 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.633 0 N-CA-C 112.671 0.619 . . . . 0.0 112.671 -179.017 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 19' ' ' CYS . . . . . . . . . . . . . 71.3 m -99.0 -22.18 15.86 Favored 'General case' 0 CA--C 1.542 0.65 0 N-CA-C 115.111 1.523 . . . . 0.0 115.111 -177.74 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.537 1.455 0 C-N-CA 125.292 1.425 . . . . 0.0 115.112 -178.498 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 8.7 tt . . . . . 0 N--CA 1.479 0.993 0 N-CA-C 112.892 0.701 . . . . 0.0 112.892 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 33.8 t -68.74 136.49 26.28 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.555 0 C-N-CA 123.605 0.762 . . . . 0.0 109.825 172.487 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 42.7 mt-10 58.74 15.11 3.54 Favored 'General case' 0 CA--C 1.549 0.938 0 C-N-CA 125.786 1.634 . . . . 0.0 115.3 -166.396 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 49.3 tp60 -90.11 -73.47 0.52 Allowed 'General case' 0 N--CA 1.471 0.594 0 O-C-N 121.202 -0.936 . . . . 0.0 109.193 155.103 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 2.7 t -85.42 -10.52 56.1 Favored 'General case' 0 CA--C 1.543 0.702 0 N-CA-C 114.418 1.266 . . . . 0.0 114.418 -163.61 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 8.0 t -76.05 -13.95 60.21 Favored 'General case' 0 CA--C 1.55 0.957 0 O-C-N 121.418 -0.801 . . . . 0.0 112.674 173.304 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 13.9 t -128.2 -18.12 4.16 Favored 'General case' 0 N--CA 1.48 1.038 0 C-N-CA 125.671 1.588 . . . . 0.0 113.929 -177.227 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 94.1 p -135.76 168.12 19.88 Favored 'General case' 0 N--CA 1.473 0.68 0 C-N-CA 125.9 1.68 . . . . 0.0 111.818 177.51 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 35.4 mt -77.84 137.68 21.77 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.614 0 O-C-N 121.184 -0.947 . . . . 0.0 110.493 173.458 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 29.1 p -119.09 159.95 22.97 Favored 'General case' 0 CA--C 1.543 0.711 0 C-N-CA 124.889 1.276 . . . . 0.0 112.477 171.979 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 20.5 m -119.59 160.24 22.83 Favored 'General case' 0 N--CA 1.473 0.685 0 C-N-CA 126.055 1.742 . . . . 0.0 111.391 -176.516 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 2.3 pt? -53.67 -35.77 61.4 Favored 'General case' 0 CA--C 1.542 0.664 0 N-CA-C 113.341 0.867 . . . . 0.0 113.341 171.265 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 32.9 m-85 -61.54 -16.83 51.34 Favored 'General case' 0 N--CA 1.472 0.629 0 C-N-CA 125.663 1.585 . . . . 0.0 114.178 175.719 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 6.9 mm-40 -102.67 -49.35 3.85 Favored 'General case' 0 CA--C 1.536 0.434 0 C-N-CA 125.104 1.361 . . . . 0.0 111.653 170.205 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 88.7 mt -60.93 -32.76 72.25 Favored 'General case' 0 N--CA 1.47 0.544 0 N-CA-C 114.474 1.287 . . . . 0.0 114.474 -175.041 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 38.4 mt-10 -66.39 -23.71 66.37 Favored 'General case' 0 CA--C 1.543 0.699 0 N-CA-C 113.18 0.807 . . . . 0.0 113.18 178.513 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 23.2 m-80 -74.96 -38.53 61.68 Favored 'General case' 0 N--CA 1.473 0.698 0 O-C-N 121.269 -0.894 . . . . 0.0 111.38 175.036 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 23.2 m-85 -69.68 -9.22 53.45 Favored 'General case' 0 CA--C 1.543 0.674 0 C-N-CA 124.508 1.123 . . . . 0.0 113.567 178.975 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 32.5 t -62.72 -26.01 68.46 Favored 'General case' 0 CA--C 1.543 0.701 0 C-N-CA 124.798 1.239 . . . . 0.0 113.233 170.169 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 25.7 t-20 . . . . . 0 CA--C 1.544 0.736 0 C-N-CA 123.777 0.831 . . . . 0.0 112.201 178.814 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' B' B ' 1' ' ' PHE . . . . . . . . . . . . . 63.0 t80 . . . . . 0 CA--C 1.541 0.606 0 N-CA-C 112.262 0.467 . . . . 0.0 112.262 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' B' B ' 2' ' ' VAL . . . . . . . . . . . . . 17.5 m -134.23 134.63 55.05 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.837 0 C-N-CA 125.108 1.363 . . . . 0.0 110.467 169.178 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 3' ' ' ASN . . . . . . . . . . . . . 8.0 m-20 -63.17 144.07 57.24 Favored 'General case' 0 CA--C 1.534 0.339 0 N-CA-C 113.359 0.874 . . . . 0.0 113.359 -175.565 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 4' ' ' GLN . . . . . . . . . . . . . 7.3 pt20 -170.75 160.65 7.06 Favored 'General case' 0 CA--C 1.54 0.561 0 C-N-CA 126.957 2.103 . . . . 0.0 109.348 -177.487 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 5' ' ' HIS . . . . . . . . . . . . . 28.5 m-70 -69.52 142.53 53.65 Favored 'General case' 0 CA--C 1.543 0.711 0 C-N-CA 124.4 1.08 . . . . 0.0 110.304 163.176 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 56.3 mt -143.27 136.76 28.33 Favored 'General case' 0 N--CA 1.473 0.712 0 C-N-CA 125.509 1.524 . . . . 0.0 111.303 -175.727 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 7' ' ' CYS . . . . . . . . . . . . . 4.4 t -152.08 159.4 43.68 Favored 'General case' 0 CA--C 1.541 0.617 0 N-CA-C 112.849 0.685 . . . . 0.0 112.849 -178.954 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 8' ' ' GLY . . . . . . . . . . . . . . . 57.72 -136.79 50.42 Favored Glycine 0 CA--C 1.534 1.262 0 C-N-CA 124.134 0.873 . . . . 0.0 113.246 177.704 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 9' ' ' SER . . . . . . . . . . . . . 19.1 m -58.91 -34.98 72.31 Favored 'General case' 0 N--CA 1.472 0.658 0 C-N-CA 123.77 0.828 . . . . 0.0 112.796 177.691 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 10' ' ' HIS . . . . . . . . . . . . . 31.6 m170 -63.61 -35.16 79.61 Favored 'General case' 0 N--CA 1.472 0.643 0 C-N-CA 123.566 0.746 . . . . 0.0 112.405 178.515 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 42.1 tp -67.01 -43.32 83.2 Favored 'General case' 0 CA--C 1.539 0.531 0 C-N-CA 124.121 0.968 . . . . 0.0 112.0 175.279 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 58.7 t -67.87 -41.52 84.98 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.84 0 C-N-CA 124.11 0.964 . . . . 0.0 111.252 178.346 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 44.6 mt-10 -66.34 -44.47 83.19 Favored 'General case' 0 N--CA 1.467 0.419 0 O-C-N 121.455 -0.778 . . . . 0.0 111.943 174.361 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -64.29 -38.63 91.74 Favored 'General case' 0 CA--C 1.538 0.512 0 O-C-N 121.259 -0.9 . . . . 0.0 112.999 -177.639 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 15' ' ' LEU . . . . . 0.405 ' HA ' HG12 ' B' ' 18' ' ' VAL . 3.3 pp -73.04 -34.27 66.21 Favored 'General case' 0 N--CA 1.47 0.549 0 CA-C-N 118.9 0.773 . . . . 0.0 111.734 178.485 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 16' ' ' TYR . . . . . . . . . . . . . 1.9 t80 -63.98 -44.4 92.83 Favored 'General case' 0 CA--C 1.539 0.533 0 C-N-CA 124.007 0.923 . . . . 0.0 111.129 172.0 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 50.0 mt -69.31 -43.32 73.99 Favored 'General case' 0 CA--C 1.535 0.378 0 C-N-CA 124.172 0.989 . . . . 0.0 112.734 -178.579 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 18' ' ' VAL . . . . . 0.405 HG12 ' HA ' ' B' ' 15' ' ' LEU . 3.8 p -73.86 -28.84 24.76 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.791 0 C-N-CA 122.993 0.517 . . . . 0.0 112.177 -178.544 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 19' ' ' CYS . . . . . . . . . . . . . 43.1 t -76.85 -34.44 57.84 Favored 'General case' 0 CA--C 1.54 0.592 0 C-N-CA 124.348 1.059 . . . . 0.0 112.743 171.57 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.539 1.537 0 C-N-CA 124.843 1.211 . . . . 0.0 114.087 -173.942 . . . . . . . . 0 0 . 1 . 021 nuclear nobuild core ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 10.6 tt . . . . . 0 N--CA 1.477 0.898 0 N-CA-C 114.334 1.235 . . . . 0.0 114.334 . . . . . . . . . 0 0 . 1 . 021 nuclear nobuild core ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 8.3 p -66.71 -45.18 88.77 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.987 0 O-C-N 120.912 -1.117 . . . . 0.0 112.607 -170.429 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 16.9 pt-20 -73.68 1.36 10.43 Favored 'General case' 0 CA--C 1.541 0.599 0 C-N-CA 125.125 1.37 . . . . 0.0 114.29 176.004 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 92.8 mt-30 -102.66 -54.82 2.57 Favored 'General case' 0 CA--C 1.538 0.481 0 C-N-CA 125.233 1.413 . . . . 0.0 109.584 168.357 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 75.8 m -75.11 -22.48 58.2 Favored 'General case' 0 CA--C 1.542 0.649 0 N-CA-C 114.135 1.161 . . . . 0.0 114.135 -175.276 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 5.9 t -83.36 -12.71 56.25 Favored 'General case' 0 CA--C 1.548 0.891 0 O-C-N 121.322 -0.861 . . . . 0.0 112.84 178.118 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 13.8 t -114.95 -25.64 8.09 Favored 'General case' 0 N--CA 1.481 1.113 0 C-N-CA 125.19 1.396 . . . . 0.0 114.329 -179.302 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 97.2 p -136.94 159.83 40.71 Favored 'General case' 0 N--CA 1.473 0.699 0 C-N-CA 125.252 1.421 . . . . 0.0 111.705 168.239 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 45.2 mt -64.59 140.64 19.37 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.816 0 O-C-N 121.133 -0.979 . . . . 0.0 112.097 -172.575 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 64.3 m -120.26 106.38 11.85 Favored 'General case' 0 CA--C 1.534 0.335 0 C-N-CA 124.721 1.208 . . . . 0.0 110.293 169.348 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 59.8 m -71.5 164.81 25.12 Favored 'General case' 0 N--CA 1.468 0.436 0 C-N-CA 124.305 1.042 . . . . 0.0 110.81 171.079 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 2.3 pp -57.01 -33.46 67.18 Favored 'General case' 0 CA--C 1.547 0.83 0 O-C-N 121.366 -0.834 . . . . 0.0 112.316 179.097 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 43.7 m-85 -69.11 -26.58 64.98 Favored 'General case' 0 CA--C 1.541 0.632 0 C-N-CA 125.491 1.516 . . . . 0.0 113.72 175.806 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 42.0 mt-30 -79.71 -47.47 15.25 Favored 'General case' 0 N--CA 1.469 0.505 0 C-N-CA 124.278 1.031 . . . . 0.0 110.138 172.213 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 95.7 mt -56.41 -35.67 68.05 Favored 'General case' 0 N--CA 1.474 0.773 0 C-N-CA 124.222 1.009 . . . . 0.0 113.036 176.717 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 5.0 mm-40 -56.06 -37.48 69.33 Favored 'General case' 0 N--CA 1.473 0.723 0 C-N-CA 124.632 1.173 . . . . 0.0 113.659 172.124 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 95.0 m-20 -68.27 -29.9 68.8 Favored 'General case' 0 N--CA 1.47 0.542 0 O-C-N 121.356 -0.84 . . . . 0.0 112.146 -178.087 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 94.0 m-85 -74.58 -26.19 59.76 Favored 'General case' 0 CA--C 1.539 0.55 0 C-N-CA 123.958 0.903 . . . . 0.0 112.665 174.179 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 9.0 t -76.81 -34.33 57.93 Favored 'General case' 0 CA--C 1.545 0.777 0 CA-C-N 118.549 0.613 . . . . 0.0 112.242 170.614 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 N--CA 1.471 0.591 0 C-N-CA 124.902 1.281 . . . . 0.0 112.058 177.782 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' B' B ' 1' ' ' PHE . . . . . . . . . . . . . 43.7 t80 . . . . . 0 CA--C 1.542 0.641 0 N-CA-C 112.091 0.404 . . . . 0.0 112.091 . . . . . . . . . 0 0 . 1 . 021 nuclear nobuild core ' B' B ' 2' ' ' VAL . . . . . . . . . . . . . 47.5 t -136.48 128.74 44.8 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.929 0 C-N-CA 125.339 1.455 . . . . 0.0 109.346 174.456 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' B' B ' 3' ' ' ASN . . . . . . . . . . . . . 94.9 m-20 -58.01 135.35 56.94 Favored 'General case' 0 N--CA 1.47 0.525 0 C-N-CA 123.231 0.612 . . . . 0.0 112.229 178.406 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' B' B ' 4' ' ' GLN . . . . . . . . . . . . . 6.4 pt20 -163.48 166.29 22.84 Favored 'General case' 0 CA--C 1.537 0.455 0 C-N-CA 125.062 1.345 . . . . 0.0 110.557 176.693 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' B' B ' 5' ' ' HIS . . . . . . . . . . . . . 27.9 m-70 -76.59 80.48 3.26 Favored 'General case' 0 CA--C 1.545 0.753 0 C-N-CA 125.358 1.463 . . . . 0.0 110.686 168.728 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 2.7 mm? -60.98 135.32 57.75 Favored 'General case' 0 N--CA 1.474 0.743 0 O-C-N 121.367 -0.833 . . . . 0.0 111.923 -179.996 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' B' B ' 7' ' ' CYS . . . . . . . . . . . . . 7.0 t -150.92 158.14 43.77 Favored 'General case' 0 CA--C 1.541 0.622 0 C-N-CA 123.163 0.585 . . . . 0.0 112.331 -176.591 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' B' B ' 8' ' ' GLY . . . . . . . . . . . . . . . 56.46 -135.33 50.49 Favored Glycine 0 CA--C 1.535 1.321 0 C-N-CA 124.034 0.826 . . . . 0.0 113.735 176.418 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' B' B ' 9' ' ' SER . . . . . . . . . . . . . 36.2 p -64.62 -31.72 73.06 Favored 'General case' 0 N--CA 1.471 0.613 0 C-N-CA 123.991 0.916 . . . . 0.0 113.351 176.379 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' B' B ' 10' ' ' HIS . . . . . . . . . . . . . 32.0 m170 -63.51 -35.12 79.43 Favored 'General case' 0 N--CA 1.472 0.668 0 CA-C-N 118.937 0.79 . . . . 0.0 112.298 177.966 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 63.9 tp -65.35 -44.89 86.28 Favored 'General case' 0 N--CA 1.467 0.384 0 C-N-CA 124.309 1.044 . . . . 0.0 112.166 174.348 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 72.5 t -64.62 -42.66 95.74 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.584 0 C-N-CA 123.849 0.86 . . . . 0.0 110.767 177.579 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 47.4 mt-10 -65.02 -44.59 88.64 Favored 'General case' 0 N--CA 1.468 0.448 0 O-C-N 121.721 -0.612 . . . . 0.0 112.224 175.608 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -63.58 -38.28 90.54 Favored 'General case' 0 CA--C 1.542 0.665 0 O-C-N 121.277 -0.889 . . . . 0.0 112.929 -177.326 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' B' B ' 15' ' ' LEU . . . . . 0.405 ' HA ' HG12 ' B' ' 18' ' ' VAL . 3.6 pp -78.23 -29.99 48.54 Favored 'General case' 0 CA--C 1.541 0.615 0 O-C-N 121.721 -0.612 . . . . 0.0 112.602 177.202 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' B' B ' 16' ' ' TYR . . . . . . . . . . . . . 1.0 OUTLIER -64.51 -41.37 96.46 Favored 'General case' 0 N--CA 1.468 0.47 0 C-N-CA 123.72 0.808 . . . . 0.0 111.326 170.148 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 45.6 mt -68.91 -48.63 62.83 Favored 'General case' 0 CA--C 1.534 0.329 0 C-N-CA 123.726 0.81 . . . . 0.0 111.873 -178.337 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' B' B ' 18' ' ' VAL . . . . . 0.405 HG12 ' HA ' ' B' ' 15' ' ' LEU . 5.9 p -67.05 -34.85 72.44 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.767 0 N-CA-C 111.986 0.365 . . . . 0.0 111.986 -177.501 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' B' B ' 19' ' ' CYS . . . . . . . . . . . . . 6.9 t -88.74 -36.87 15.9 Favored 'General case' 0 CA--C 1.541 0.606 0 N-CA-C 112.838 0.681 . . . . 0.0 112.838 -175.779 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.533 1.218 0 O-C-N 120.98 -1.075 . . . . 0.0 113.517 178.628 . . . . . . . . 0 0 . 1 . 022 nuclear nobuild core ' A' A ' 2' ' ' ILE . . . . . 0.427 HD12 ' CG ' ' A' ' 19' ' ' TYR 0.256 18.2 tt . . . . . 0 N--CA 1.477 0.917 0 N-CA-C 117.296 2.332 . . . . 0.0 117.296 . . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 35.2 t -69.87 138.81 21.34 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.744 0 C-N-CA 125.713 1.605 . . . . 0.0 109.509 169.049 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 43.1 mt-10 54.56 21.85 3.62 Favored 'General case' 0 CA--C 1.549 0.93 0 N-CA-C 114.687 1.365 . . . . 0.0 114.687 -166.028 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 40.2 mt-30 -110.34 -64.38 1.27 Allowed 'General case' 0 N--CA 1.47 0.561 0 C-N-CA 124.619 1.167 . . . . 0.0 109.02 157.987 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -69.71 -18.1 63.51 Favored 'General case' 0 CA--C 1.548 0.891 0 N-CA-C 113.159 0.8 . . . . 0.0 113.159 -177.981 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 28.9 t -90.25 -7.2 54.07 Favored 'General case' 0 CA--C 1.549 0.931 0 C-N-CA 125.117 1.367 . . . . 0.0 113.367 178.61 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 5.7 t -124.06 -24.76 4.32 Favored 'General case' 0 N--CA 1.483 1.197 0 N-CA-C 114.146 1.165 . . . . 0.0 114.146 -179.821 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 92.4 p -126.85 155.41 42.98 Favored 'General case' 0 N--CA 1.47 0.564 0 C-N-CA 125.22 1.408 . . . . 0.0 111.133 165.771 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 15.1 mt -62.09 136.23 25.67 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.693 0 C-N-CA 123.881 0.873 . . . . 0.0 112.428 -170.443 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 58.8 m -80.42 146.47 31.44 Favored 'General case' 0 CA--C 1.537 0.452 0 C-N-CA 124.869 1.268 . . . . 0.0 111.648 173.67 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 55.0 m -130.81 157.64 42.3 Favored 'General case' 0 N--CA 1.47 0.535 0 C-N-CA 125.402 1.481 . . . . 0.0 109.77 171.628 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . 0.566 HD12 ' H ' ' A' ' 13' ' ' LEU . 4.7 mp -51.3 -45.35 62.14 Favored 'General case' 0 N--CA 1.47 0.533 0 C-N-CA 124.469 1.108 . . . . 0.0 111.244 179.548 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 24.8 m-85 -62.09 -37.67 85.96 Favored 'General case' 0 CA--C 1.54 0.563 0 C-N-CA 125.367 1.467 . . . . 0.0 112.94 -179.649 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 10.1 mm-40 -72.38 -42.47 65.18 Favored 'General case' 0 N--CA 1.469 0.491 0 C-N-CA 123.574 0.749 . . . . 0.0 110.733 176.714 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 69.0 mt -65.63 -36.59 84.14 Favored 'General case' 0 CA--C 1.544 0.748 0 C-N-CA 123.986 0.914 . . . . 0.0 112.086 177.236 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 39.0 mt-10 -66.75 -38.18 86.12 Favored 'General case' 0 CA--C 1.542 0.64 0 O-C-N 121.219 -0.925 . . . . 0.0 112.213 170.46 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 81.5 m-20 -63.96 -33.31 75.44 Favored 'General case' 0 CA--C 1.541 0.619 0 O-C-N 121.321 -0.862 . . . . 0.0 112.394 174.296 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 19' ' ' TYR . . . . . 0.427 ' CG ' HD12 ' A' ' 2' ' ' ILE . 25.4 m-85 -71.13 -32.65 69.26 Favored 'General case' 0 CA--C 1.54 0.581 0 N-CA-C 112.928 0.714 . . . . 0.0 112.928 172.203 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 35.5 t -70.81 -37.45 73.26 Favored 'General case' 0 CA--C 1.546 0.8 0 C-N-CA 123.353 0.661 . . . . 0.0 112.511 174.546 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 25.5 t-20 . . . . . 0 CA--C 1.545 0.755 0 C-N-CA 124.944 1.298 . . . . 0.0 112.713 -178.826 . . . . . . . . 0 0 . 1 . 022 nuclear nobuild core ' B' B ' 1' ' ' PHE . . . . . . . . . . . . . 44.9 t80 . . . . . 0 CA--C 1.539 0.52 0 N-CA-C 112.127 0.417 . . . . 0.0 112.127 . . . . . . . . . 0 0 . 1 . 022 nuclear nobuild core ' B' B ' 2' ' ' VAL . . . . . . . . . . . . . 25.2 m -136.19 141.44 41.48 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.774 0 C-N-CA 125.04 1.336 . . . . 0.0 110.115 166.117 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' B' B ' 3' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -51.85 129.67 27.22 Favored 'General case' 0 CA--C 1.538 0.489 0 C-N-CA 123.908 0.883 . . . . 0.0 113.255 178.112 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' B' B ' 4' ' ' GLN . . . . . . . . . . . . . 7.5 pt20 -165.27 153.12 11.23 Favored 'General case' 0 CA--C 1.533 0.321 0 C-N-CA 125.465 1.506 . . . . 0.0 110.285 177.591 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' B' B ' 5' ' ' HIS . . . . . . . . . . . . . 24.7 m-70 -70.06 145.0 51.99 Favored 'General case' 0 CA--C 1.542 0.657 0 C-N-CA 123.999 0.919 . . . . 0.0 110.259 161.93 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 73.6 mt -136.58 139.35 42.08 Favored 'General case' 0 N--CA 1.471 0.607 0 C-N-CA 125.01 1.324 . . . . 0.0 111.545 179.571 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' B' B ' 7' ' ' CYS . . . . . . . . . . . . . 72.0 m -134.93 143.85 47.13 Favored 'General case' 0 CA--C 1.539 0.533 0 C-N-CA 124.734 1.213 . . . . 0.0 111.291 -171.171 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' B' B ' 8' ' ' GLY . . . . . . . . . . . . . . . 52.44 -129.91 37.51 Favored Glycine 0 CA--C 1.534 1.25 0 C-N-CA 123.879 0.752 . . . . 0.0 113.676 174.922 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' B' B ' 9' ' ' SER . . . . . . . . . . . . . 23.3 m -57.32 -34.28 68.58 Favored 'General case' 0 N--CA 1.472 0.648 0 C-N-CA 124.262 1.025 . . . . 0.0 113.647 -179.969 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' B' B ' 10' ' ' HIS . . . . . . . . . . . . . 30.5 m170 -65.15 -32.81 74.69 Favored 'General case' 0 N--CA 1.475 0.781 0 CA-C-N 119.1 0.864 . . . . 0.0 112.456 178.818 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' B' B ' 11' ' ' LEU . . . . . 0.418 HD22 HD11 ' A' ' 2' ' ' ILE . 1.3 tt -67.34 -47.68 69.76 Favored 'General case' 0 CA--C 1.542 0.656 0 C-N-CA 125.13 1.372 . . . . 0.0 110.429 174.85 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 61.5 t -65.1 -40.54 89.22 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.886 0 C-N-CA 124.706 1.203 . . . . 0.0 111.777 178.745 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 43.8 mt-10 -65.26 -42.21 93.49 Favored 'General case' 0 N--CA 1.469 0.499 0 O-C-N 121.328 -0.858 . . . . 0.0 111.955 175.409 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -66.38 -38.14 86.87 Favored 'General case' 0 CA--C 1.539 0.556 0 O-C-N 121.306 -0.871 . . . . 0.0 112.951 -178.469 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 3.7 pp -74.39 -34.38 63.29 Favored 'General case' 0 N--CA 1.468 0.449 0 CA-C-N 118.395 0.543 . . . . 0.0 111.558 177.907 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' B' B ' 16' ' ' TYR . . . . . . . . . . . . . 2.9 t80 -62.03 -41.48 98.15 Favored 'General case' 0 CA--C 1.541 0.604 0 C-N-CA 123.703 0.801 . . . . 0.0 111.489 171.215 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 40.4 mt -69.56 -46.57 66.08 Favored 'General case' 0 CA--C 1.535 0.386 0 C-N-CA 123.649 0.78 . . . . 0.0 112.397 -178.768 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' B' B ' 18' ' ' VAL . . . . . . . . . . . . . 5.8 p -73.5 -30.55 30.18 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.817 0 N-CA-C 112.449 0.537 . . . . 0.0 112.449 -177.373 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' B' B ' 19' ' ' CYS . . . . . . . . . . . . . 11.2 t -85.34 -31.87 22.77 Favored 'General case' 0 CA--C 1.543 0.703 0 C-N-CA 123.92 0.888 . . . . 0.0 112.853 179.788 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.539 1.547 0 C-N-CA 125.399 1.476 . . . . 0.0 115.518 179.514 . . . . . . . . 0 0 . 1 . 023 nuclear nobuild core ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 10.4 tt . . . . . 0 N--CA 1.48 1.036 0 N-CA-C 114.167 1.173 . . . . 0.0 114.167 . . . . . . . . . 0 0 . 1 . 023 nuclear nobuild core ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 9.3 p -63.29 -48.91 85.21 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.729 0 C-N-CA 122.982 0.513 . . . . 0.0 111.93 -169.292 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 16.9 pt-20 -68.95 -44.0 73.89 Favored 'General case' 0 CA--C 1.532 0.282 0 CA-C-O 118.708 -0.663 . . . . 0.0 110.387 174.283 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 16.1 tp60 -60.43 -42.18 95.52 Favored 'General case' 0 N--CA 1.467 0.38 0 CA-C-N 119.083 0.856 . . . . 0.0 112.748 -173.096 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 61.4 m -89.96 -25.99 20.61 Favored 'General case' 0 CA--C 1.543 0.681 0 N-CA-C 113.511 0.93 . . . . 0.0 113.511 -177.95 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 84.9 m -72.45 -26.46 61.84 Favored 'General case' 0 CA--C 1.549 0.916 0 O-C-N 121.0 -1.063 . . . . 0.0 112.654 169.242 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 1.4 t -98.47 -26.69 14.36 Favored 'General case' 0 N--CA 1.482 1.137 0 N-CA-C 114.565 1.32 . . . . 0.0 114.565 -177.367 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 52.7 m -140.25 163.93 31.43 Favored 'General case' 0 N--CA 1.477 0.876 0 C-N-CA 125.597 1.559 . . . . 0.0 112.002 179.547 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 46.0 mt -63.62 137.66 24.32 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.633 0 O-C-N 121.245 -0.91 . . . . 0.0 110.594 173.581 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 17.5 m -115.55 160.76 19.55 Favored 'General case' 0 CA--C 1.54 0.574 0 C-N-CA 124.933 1.293 . . . . 0.0 112.339 174.585 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 63.6 m -121.45 156.54 32.52 Favored 'General case' 0 N--CA 1.472 0.647 0 C-N-CA 125.731 1.612 . . . . 0.0 111.153 175.651 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 2.6 pt? -58.1 -30.7 66.47 Favored 'General case' 0 CA--C 1.54 0.594 0 N-CA-C 113.738 1.014 . . . . 0.0 113.738 -177.465 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 24.9 m-85 -65.02 -32.74 74.61 Favored 'General case' 0 CA--C 1.539 0.558 0 C-N-CA 124.597 1.159 . . . . 0.0 112.69 176.212 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 42.7 mt-30 -71.37 -42.63 68.19 Favored 'General case' 0 N--CA 1.469 0.476 0 C-N-CA 123.338 0.655 . . . . 0.0 110.122 173.375 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 64.9 mt -60.92 -37.34 81.94 Favored 'General case' 0 CA--C 1.541 0.634 0 C-N-CA 123.268 0.627 . . . . 0.0 112.67 176.594 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 45.6 mt-10 -65.34 -39.12 91.97 Favored 'General case' 0 N--CA 1.472 0.638 0 C-N-CA 123.438 0.695 . . . . 0.0 112.73 169.934 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 91.9 m-20 -67.7 -30.34 69.82 Favored 'General case' 0 CA--C 1.542 0.653 0 O-C-N 121.235 -0.916 . . . . 0.0 112.674 176.156 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 27.3 m-85 -75.05 -33.8 61.76 Favored 'General case' 0 N--CA 1.469 0.494 0 CA-C-N 118.996 0.816 . . . . 0.0 112.541 175.894 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 7.3 p -81.41 -40.43 23.43 Favored 'General case' 0 CA--C 1.543 0.684 0 N-CA-C 112.872 0.693 . . . . 0.0 112.872 178.007 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 19.2 p30 . . . . . 0 N--CA 1.473 0.695 0 C-N-CA 128.315 2.646 . . . . 0.0 114.883 176.577 . . . . . . . . 0 0 . 1 . 023 nuclear nobuild core ' B' B ' 1' ' ' PHE . . . . . . . . . . . . . 38.8 t80 . . . . . 0 CA--C 1.542 0.647 0 N-CA-C 111.885 0.328 . . . . 0.0 111.885 . . . . . . . . . 0 0 . 1 . 023 nuclear nobuild core ' B' B ' 2' ' ' VAL . . . . . . . . . . . . . 2.9 m -138.92 86.61 0.51 Allowed 'Isoleucine or valine' 0 N--CA 1.476 0.862 0 C-N-CA 124.86 1.264 . . . . 0.0 112.204 177.644 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' B' B ' 3' ' ' ASN . . . . . . . . . . . . . 28.1 m120 47.75 -132.78 1.33 Allowed 'General case' 0 CA--C 1.551 1.001 0 C-N-CA 125.954 1.702 . . . . 0.0 115.03 163.437 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' B' B ' 4' ' ' GLN . . . . . . . . . . . . 0.282 7.1 pt20 59.55 162.31 0.04 OUTLIER 'General case' 0 CA--C 1.545 0.766 1 C-N-CA 133.826 4.85 . . . . 0.0 117.938 177.212 . . . . . . . . 3 2 . 1 . 023 nuclear nobuild core ' B' B ' 5' ' ' HIS . . . . . . . . . . . . . 52.6 m-70 -77.33 72.19 3.86 Favored 'General case' 0 CA--C 1.54 0.592 0 C-N-CA 126.606 1.962 . . . . 0.0 111.001 175.721 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 61.8 mt -61.81 125.32 23.41 Favored 'General case' 0 N--CA 1.469 0.495 0 C-N-CA 123.715 0.806 . . . . 0.0 111.462 -178.123 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' B' B ' 7' ' ' CYS . . . . . . . . . . . . . 11.0 t -145.68 156.0 43.35 Favored 'General case' 0 CA--C 1.54 0.588 0 C-N-CA 123.289 0.636 . . . . 0.0 112.314 -174.239 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' B' B ' 8' ' ' GLY . . . . . . . . . . . . . . . 58.4 -134.66 52.35 Favored Glycine 0 CA--C 1.535 1.291 0 C-N-CA 124.026 0.822 . . . . 0.0 113.306 177.881 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' B' B ' 9' ' ' SER . . . . . . . . . . . . . 36.0 p -59.35 -33.27 70.95 Favored 'General case' 0 N--CA 1.472 0.656 0 C-N-CA 124.132 0.973 . . . . 0.0 113.517 178.146 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' B' B ' 10' ' ' HIS . . . . . . . . . . . . . 27.7 m-70 -67.35 -35.36 79.21 Favored 'General case' 0 N--CA 1.472 0.649 0 CA-C-N 118.789 0.722 . . . . 0.0 112.092 178.674 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 39.2 tp -67.33 -41.73 84.75 Favored 'General case' 0 CA--C 1.539 0.546 0 C-N-CA 124.088 0.955 . . . . 0.0 111.913 174.89 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 76.5 t -66.68 -43.26 90.31 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.763 0 C-N-CA 123.908 0.883 . . . . 0.0 111.225 176.288 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 37.6 mt-10 -66.85 -40.9 88.06 Favored 'General case' 0 N--CA 1.47 0.557 0 O-C-N 121.412 -0.805 . . . . 0.0 112.311 176.739 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -64.6 -38.0 89.49 Favored 'General case' 0 CA--C 1.541 0.61 0 CA-C-N 119.135 0.879 . . . . 0.0 113.052 -178.592 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 2.4 pp -77.15 -35.12 56.33 Favored 'General case' 0 N--CA 1.469 0.513 0 O-C-N 121.74 -0.6 . . . . 0.0 111.201 178.171 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' B' B ' 16' ' ' TYR . . . . . . . . . . . . . 3.7 t80 -61.2 -39.84 91.73 Favored 'General case' 0 CA--C 1.54 0.596 0 C-N-CA 123.672 0.789 . . . . 0.0 111.532 172.067 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 31.3 mt -69.59 -45.61 68.21 Favored 'General case' 0 N--CA 1.465 0.299 0 C-N-CA 123.663 0.785 . . . . 0.0 112.232 -178.454 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' B' B ' 18' ' ' VAL . . . . . . . . . . . . . 9.5 p -75.27 -34.43 30.85 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.723 0 N-CA-C 112.359 0.503 . . . . 0.0 112.359 -178.145 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' B' B ' 19' ' ' CYS . . . . . . . . . . . . . 8.9 t -92.22 -34.34 14.32 Favored 'General case' 0 CA--C 1.542 0.643 0 N-CA-C 112.95 0.722 . . . . 0.0 112.95 -173.892 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.535 1.333 0 C-N-CA 126.223 1.868 . . . . 0.0 114.371 175.74 . . . . . . . . 0 0 . 1 . 024 nuclear nobuild core ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 17.5 tt . . . . . 0 N--CA 1.478 0.948 0 CA-C-O 120.891 0.377 . . . . 0.0 111.343 . . . . . . . . . 0 0 . 1 . 024 nuclear nobuild core ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 38.0 t -72.57 140.88 17.24 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.503 0 C-N-CA 124.018 0.927 . . . . 0.0 109.152 161.661 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . 0.258 10.1 mm-40 59.1 16.88 5.09 Favored 'General case' 0 CA--C 1.548 0.884 0 C-N-CA 126.077 1.751 . . . . 0.0 115.62 -164.4 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 8.6 tp-100 -102.56 -69.74 0.78 Allowed 'General case' 0 N--CA 1.468 0.469 0 N-CA-C 108.878 -0.786 . . . . 0.0 108.878 145.354 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 95.2 m -69.42 -27.87 65.65 Favored 'General case' 0 CA--C 1.542 0.646 0 N-CA-C 113.696 0.998 . . . . 0.0 113.696 -172.05 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 10.1 t -79.16 -16.05 57.19 Favored 'General case' 0 CA--C 1.549 0.909 0 N-CA-C 113.378 0.881 . . . . 0.0 113.378 -176.266 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 13.2 t -121.29 -25.75 5.17 Favored 'General case' 0 N--CA 1.479 1.024 0 C-N-CA 125.258 1.423 . . . . 0.0 113.504 -176.128 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 74.9 m -133.69 159.38 40.72 Favored 'General case' 0 N--CA 1.469 0.517 0 C-N-CA 126.262 1.825 . . . . 0.0 111.077 177.39 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 50.3 mt -63.6 137.07 25.35 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.567 0 O-C-N 121.605 -0.684 . . . . 0.0 109.992 172.941 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 17.2 p -129.54 166.8 18.96 Favored 'General case' 0 CA--C 1.543 0.698 0 C-N-CA 124.501 1.12 . . . . 0.0 111.763 174.47 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 70.7 m -119.41 156.89 29.29 Favored 'General case' 0 N--CA 1.473 0.722 0 C-N-CA 125.175 1.39 . . . . 0.0 112.314 -173.698 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 2.6 pt? -57.55 -30.97 65.66 Favored 'General case' 0 CA--C 1.54 0.581 0 C-N-CA 124.309 1.044 . . . . 0.0 113.495 179.789 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 23.9 m-85 -65.67 -34.5 78.36 Favored 'General case' 0 CA--C 1.538 0.515 0 C-N-CA 124.419 1.088 . . . . 0.0 112.417 175.432 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 44.7 mt-30 -72.59 -39.78 67.09 Favored 'General case' 0 N--CA 1.467 0.382 0 O-C-N 121.357 -0.839 . . . . 0.0 110.327 174.506 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 79.0 mt -58.39 -41.15 84.24 Favored 'General case' 0 CA--C 1.543 0.68 0 C-N-CA 122.91 0.484 . . . . 0.0 112.178 173.026 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 45.1 mt-10 -62.97 -35.5 80.36 Favored 'General case' 0 N--CA 1.474 0.766 0 N-CA-C 113.214 0.82 . . . . 0.0 113.214 171.723 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 12.6 m-80 -66.63 -30.98 71.38 Favored 'General case' 0 CA--C 1.542 0.656 0 O-C-N 121.254 -0.904 . . . . 0.0 112.528 174.291 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 30.9 m-85 -75.79 -30.66 59.15 Favored 'General case' 0 CA--C 1.543 0.675 0 CA-C-N 119.085 0.857 . . . . 0.0 112.73 172.691 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 71.3 m -70.25 -33.27 71.42 Favored 'General case' 0 CA--C 1.544 0.733 0 C-N-CA 123.692 0.797 . . . . 0.0 112.877 172.219 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 25.3 t-20 . . . . . 0 CA--C 1.544 0.735 0 C-N-CA 124.727 1.211 . . . . 0.0 112.619 -179.121 . . . . . . . . 0 0 . 1 . 024 nuclear nobuild core ' B' B ' 1' ' ' PHE . . . . . . . . . . . . . 43.9 t80 . . . . . 0 CA--C 1.54 0.575 0 N-CA-C 112.083 0.401 . . . . 0.0 112.083 . . . . . . . . . 0 0 . 1 . 024 nuclear nobuild core ' B' B ' 2' ' ' VAL . . . . . . . . . . . . . 20.3 m -135.61 139.26 46.76 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.698 0 C-N-CA 125.15 1.38 . . . . 0.0 109.607 164.266 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' B' B ' 3' ' ' ASN . . . . . . . . . . . . . 20.9 m120 -59.16 140.43 55.91 Favored 'General case' 0 N--CA 1.466 0.373 0 CA-C-O 121.802 0.811 . . . . 0.0 112.777 -179.617 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' B' B ' 4' ' ' GLN . . . . . . . . . . . . . 7.0 pt20 -169.37 162.63 10.41 Favored 'General case' 0 CA--C 1.538 0.49 0 C-N-CA 127.088 2.155 . . . . 0.0 108.563 -179.669 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' B' B ' 5' ' ' HIS . . . . . . . . . . . . . 26.6 m-70 -67.81 139.11 56.58 Favored 'General case' 0 CA--C 1.54 0.592 0 C-N-CA 123.841 0.856 . . . . 0.0 109.587 161.631 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 65.4 mt -136.31 131.34 34.22 Favored 'General case' 0 N--CA 1.472 0.629 0 C-N-CA 125.029 1.332 . . . . 0.0 110.735 -176.053 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' B' B ' 7' ' ' CYS . . . . . . . . . . . . . 3.8 t -151.84 156.61 40.53 Favored 'General case' 0 CA--C 1.538 0.494 0 N-CA-C 112.563 0.579 . . . . 0.0 112.563 -179.158 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' B' B ' 8' ' ' GLY . . . . . . . . . . . . . . . 56.96 -136.26 50.58 Favored Glycine 0 CA--C 1.534 1.234 0 C-N-CA 123.813 0.721 . . . . 0.0 112.855 -178.99 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' B' B ' 9' ' ' SER . . . . . . . . . . . . . 40.0 p -59.23 -31.73 69.32 Favored 'General case' 0 N--CA 1.471 0.59 0 N-CA-C 113.717 1.006 . . . . 0.0 113.717 178.575 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' B' B ' 10' ' ' HIS . . . . . . . . . . . . . 30.6 m170 -65.53 -36.38 83.64 Favored 'General case' 0 N--CA 1.473 0.693 0 CA-C-N 119.36 0.982 . . . . 0.0 112.232 176.649 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -65.06 -46.5 80.93 Favored 'General case' 0 CA--C 1.539 0.545 0 C-N-CA 123.998 0.919 . . . . 0.0 110.961 174.201 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 82.6 t -61.5 -45.23 99.08 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.718 0 C-N-CA 124.243 1.017 . . . . 0.0 111.293 177.774 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 45.5 mt-10 -63.15 -42.41 99.43 Favored 'General case' 0 N--CA 1.472 0.648 0 CA-C-N 118.959 0.8 . . . . 0.0 112.182 176.381 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -64.61 -36.46 84.3 Favored 'General case' 0 CA--C 1.541 0.624 0 N-CA-C 113.146 0.795 . . . . 0.0 113.146 -179.02 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' B' B ' 15' ' ' LEU . . . . . 0.449 ' HA ' HG12 ' B' ' 18' ' ' VAL . 3.2 pp -82.09 -34.98 29.09 Favored 'General case' 0 CA--C 1.536 0.44 0 O-C-N 121.762 -0.586 . . . . 0.0 111.111 178.049 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' B' B ' 16' ' ' TYR . . . . . . . . . . . . . 10.0 t80 -58.1 -38.29 76.17 Favored 'General case' 0 CA--C 1.539 0.552 0 C-N-CA 123.876 0.87 . . . . 0.0 111.736 171.125 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 32.1 mt -69.44 -46.67 66.2 Favored 'General case' 0 CA--C 1.534 0.345 0 C-N-CA 123.718 0.807 . . . . 0.0 112.502 178.742 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' B' B ' 18' ' ' VAL . . . . . 0.449 HG12 ' HA ' ' B' ' 15' ' ' LEU . 6.4 p -76.39 -29.34 18.73 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.773 0 N-CA-C 112.75 0.648 . . . . 0.0 112.75 -176.781 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' B' B ' 19' ' ' CYS . . . . . . . . . . . . . 84.5 m -99.89 -25.86 14.2 Favored 'General case' 0 CA--C 1.543 0.706 0 N-CA-C 114.215 1.191 . . . . 0.0 114.215 -175.228 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.539 1.534 0 C-N-CA 125.897 1.713 . . . . 0.0 115.873 -179.414 . . . . . . . . 0 0 . 1 . 025 nuclear nobuild core ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 14.6 tt . . . . . 0 N--CA 1.477 0.894 0 N-CA-C 114.177 1.177 . . . . 0.0 114.177 . . . . . . . . . 0 0 . 1 . 025 nuclear nobuild core ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 10.9 p -63.44 -48.99 84.56 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.883 0 O-C-N 121.332 -0.855 . . . . 0.0 112.299 -169.255 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 14.5 pt-20 -69.35 -5.77 25.49 Favored 'General case' 0 CA--C 1.544 0.729 0 C-N-CA 125.333 1.453 . . . . 0.0 114.167 176.104 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 91.8 mt-30 -102.98 -32.93 9.49 Favored 'General case' 0 CA--C 1.54 0.589 0 C-N-CA 125.091 1.356 . . . . 0.0 112.171 176.767 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 73.9 m -103.82 -18.63 14.57 Favored 'General case' 0 CA--C 1.544 0.738 0 N-CA-C 115.679 1.733 . . . . 0.0 115.679 179.64 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 3.7 m -81.78 -24.17 36.15 Favored 'General case' 0 N--CA 1.478 0.974 0 CA-C-N 120.457 1.48 . . . . 0.0 113.726 177.864 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 6.9 t -111.82 -12.22 13.84 Favored 'General case' 0 N--CA 1.481 1.087 0 C-N-CA 124.929 1.292 . . . . 0.0 113.869 -176.562 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 68.7 m -140.61 158.04 44.58 Favored 'General case' 0 N--CA 1.47 0.537 0 C-N-CA 126.372 1.869 . . . . 0.0 110.475 177.421 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 25.9 mt -66.07 139.12 21.76 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.657 0 C-N-CA 123.486 0.714 . . . . 0.0 111.75 -178.871 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 50.3 m -122.01 156.93 32.45 Favored 'General case' 0 CA--C 1.542 0.663 0 C-N-CA 125.334 1.454 . . . . 0.0 111.592 169.516 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 48.7 m -137.0 159.63 41.31 Favored 'General case' 0 N--CA 1.471 0.589 0 C-N-CA 126.499 1.92 . . . . 0.0 109.625 179.584 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 2.5 pt? -56.07 -33.76 65.33 Favored 'General case' 0 CA--C 1.542 0.663 0 N-CA-C 113.262 0.838 . . . . 0.0 113.262 -177.014 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 27.1 m-85 -64.26 -27.88 69.35 Favored 'General case' 0 CA--C 1.541 0.611 0 C-N-CA 125.039 1.336 . . . . 0.0 113.593 176.532 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 20.8 mm100 -86.53 -35.0 19.8 Favored 'General case' 0 N--CA 1.468 0.461 0 C-N-CA 124.637 1.175 . . . . 0.0 111.35 172.423 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 97.1 mt -65.38 -25.36 67.53 Favored 'General case' 0 CA--C 1.542 0.662 0 N-CA-C 113.087 0.773 . . . . 0.0 113.087 177.181 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 38.7 mt-10 -57.55 -27.26 62.49 Favored 'General case' 0 CA--C 1.544 0.721 0 N-CA-C 113.569 0.952 . . . . 0.0 113.569 167.801 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 75.4 m-20 -71.06 -29.34 65.2 Favored 'General case' 0 CA--C 1.541 0.633 0 CA-C-N 119.658 1.117 . . . . 0.0 112.238 179.345 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 33.9 m-85 -82.85 -26.97 31.14 Favored 'General case' 0 N--CA 1.473 0.68 0 C-N-CA 123.645 0.778 . . . . 0.0 112.227 173.809 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 31.7 t -70.37 -41.16 73.47 Favored 'General case' 0 CA--C 1.546 0.814 0 C-N-CA 124.602 1.161 . . . . 0.0 112.528 170.788 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 59.5 t-20 . . . . . 0 CA--C 1.543 0.689 0 C-N-CA 125.679 1.592 . . . . 0.0 111.541 -174.894 . . . . . . . . 0 0 . 1 . 025 nuclear nobuild core ' B' B ' 1' ' ' PHE . . . . . . . . . . . . . 8.0 t80 . . . . . 0 CA--C 1.541 0.62 0 N-CA-C 111.597 0.221 . . . . 0.0 111.597 . . . . . . . . . 0 0 . 1 . 025 nuclear nobuild core ' B' B ' 2' ' ' VAL . . . . . . . . . . . . . 29.8 m -134.59 141.67 42.72 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.921 0 C-N-CA 124.818 1.247 . . . . 0.0 110.951 169.512 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' B' B ' 3' ' ' ASN . . . . . . . . . . . . . 5.9 p-10 -57.1 139.39 52.55 Favored 'General case' 0 CA--C 1.534 0.341 0 C-N-CA 123.849 0.86 . . . . 0.0 112.854 176.59 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' B' B ' 4' ' ' GLN . . . . . . . . . . . . . 7.4 pt20 -169.76 156.93 6.62 Favored 'General case' 0 CA--C 1.535 0.393 0 C-N-CA 125.673 1.589 . . . . 0.0 110.228 179.934 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' B' B ' 5' ' ' HIS . . . . . . . . . . . . . 22.7 m-70 -62.9 140.98 58.87 Favored 'General case' 0 CA--C 1.542 0.649 0 C-N-CA 123.907 0.883 . . . . 0.0 109.742 158.649 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 69.0 mt -137.84 134.76 35.5 Favored 'General case' 0 N--CA 1.472 0.628 0 C-N-CA 125.036 1.334 . . . . 0.0 111.623 -172.742 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' B' B ' 7' ' ' CYS . . . . . . . . . . . . . 86.5 m -139.81 158.49 44.01 Favored 'General case' 0 CA--C 1.539 0.557 0 C-N-CA 125.207 1.403 . . . . 0.0 112.635 179.36 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' B' B ' 8' ' ' GLY . . . . . . . . . . . . . . . 52.87 -131.8 40.66 Favored Glycine 0 CA--C 1.533 1.196 0 C-N-CA 124.556 1.074 . . . . 0.0 114.416 168.314 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' B' B ' 9' ' ' SER . . . . . . . . . . . . . 36.0 p -58.35 -34.82 71.07 Favored 'General case' 0 N--CA 1.471 0.594 0 C-N-CA 124.105 0.962 . . . . 0.0 113.402 177.846 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' B' B ' 10' ' ' HIS . . . . . . . . . . . . . 27.2 m-70 -68.48 -38.7 81.28 Favored 'General case' 0 N--CA 1.472 0.644 0 CA-C-N 119.061 0.846 . . . . 0.0 111.932 177.409 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 51.1 tp -66.62 -42.3 87.0 Favored 'General case' 0 N--CA 1.469 0.499 0 C-N-CA 124.244 1.018 . . . . 0.0 111.955 175.476 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 86.5 t -65.71 -47.4 86.11 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.779 0 C-N-CA 123.715 0.806 . . . . 0.0 111.069 175.673 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 38.2 mt-10 -64.91 -39.17 93.1 Favored 'General case' 0 N--CA 1.47 0.569 0 O-C-N 121.458 -0.776 . . . . 0.0 112.339 179.195 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -64.69 -37.03 86.21 Favored 'General case' 0 CA--C 1.54 0.576 0 O-C-N 121.302 -0.874 . . . . 0.0 113.102 -179.731 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 1.8 pp -81.02 -35.56 31.74 Favored 'General case' 0 N--CA 1.467 0.401 0 O-C-N 121.93 -0.481 . . . . 0.0 110.754 178.28 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' B' B ' 16' ' ' TYR . . . . . . . . . . . . . 7.7 t80 -59.96 -37.69 80.32 Favored 'General case' 0 CA--C 1.539 0.557 0 C-N-CA 124.347 1.059 . . . . 0.0 112.26 172.767 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 33.4 mt -69.28 -45.6 69.23 Favored 'General case' 0 N--CA 1.468 0.431 0 C-N-CA 123.942 0.897 . . . . 0.0 111.84 179.357 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' B' B ' 18' ' ' VAL . . . . . . . . . . . . . 5.3 p -73.54 -28.8 25.66 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.859 0 N-CA-C 112.621 0.6 . . . . 0.0 112.621 178.03 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' B' B ' 19' ' ' CYS . . . . . . . . . . . . . 2.0 t -77.48 -21.31 53.01 Favored 'General case' 0 N--CA 1.471 0.597 0 C-N-CA 124.216 1.006 . . . . 0.0 113.26 174.722 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.024 0 C-N-CA 124.159 0.885 . . . . 0.0 113.581 174.208 . . . . . . . . 0 0 . 1 . 026 nuclear nobuild core ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 11.6 tt . . . . . 0 N--CA 1.48 1.044 0 N-CA-C 113.475 0.917 . . . . 0.0 113.475 . . . . . . . . . 0 0 . 1 . 026 nuclear nobuild core ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 40.0 t -56.23 139.87 15.05 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.83 0 C-N-CA 124.237 1.015 . . . . 0.0 110.027 169.838 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . 0.306 9.8 pt-20 48.75 24.07 0.76 Allowed 'General case' 0 CA--C 1.55 0.981 0 C-N-CA 126.422 1.889 . . . . 0.0 115.647 -169.411 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 18.2 mm-40 -112.09 -54.39 2.62 Favored 'General case' 0 N--CA 1.471 0.613 0 C-N-CA 124.764 1.226 . . . . 0.0 110.303 162.45 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 5.4 t -87.31 -6.15 58.63 Favored 'General case' 0 CA--C 1.55 0.953 0 N-CA-C 113.906 1.076 . . . . 0.0 113.906 172.993 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 49.1 t -92.62 -24.33 18.72 Favored 'General case' 0 CA--C 1.546 0.81 0 O-C-N 121.336 -0.853 . . . . 0.0 113.146 174.618 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 5.4 t -93.97 -28.9 15.53 Favored 'General case' 0 N--CA 1.481 1.108 0 C-N-CA 124.269 1.027 . . . . 0.0 113.209 176.858 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 74.4 m -139.27 162.21 35.56 Favored 'General case' 0 N--CA 1.47 0.547 0 C-N-CA 126.587 1.955 . . . . 0.0 110.758 179.426 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 57.4 mt -67.27 142.08 17.05 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.701 0 O-C-N 121.506 -0.746 . . . . 0.0 110.492 174.033 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 17.4 p -124.02 149.94 45.48 Favored 'General case' 0 CA--C 1.541 0.629 0 C-N-CA 124.278 1.031 . . . . 0.0 112.296 168.236 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 54.4 m -95.01 155.41 16.74 Favored 'General case' 0 N--CA 1.474 0.765 0 C-N-CA 124.85 1.26 . . . . 0.0 111.061 171.447 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 2.5 pt? -56.72 -31.04 64.12 Favored 'General case' 0 N--CA 1.474 0.775 0 N-CA-C 113.88 1.067 . . . . 0.0 113.88 178.519 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 26.3 m-85 -61.71 -20.89 63.98 Favored 'General case' 0 CA--C 1.544 0.731 0 C-N-CA 125.064 1.346 . . . . 0.0 113.717 174.74 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 30.3 mt-30 -98.56 -41.6 7.67 Favored 'General case' 0 N--CA 1.468 0.434 0 C-N-CA 126.5 1.92 . . . . 0.0 111.262 171.745 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . 0.256 0.1 OUTLIER -79.96 -25.79 40.25 Favored 'General case' 0 CA--C 1.549 0.918 0 C-N-CA 123.727 0.811 . . . . 0.0 112.688 -168.068 . . . . . . . . 3 3 . 1 . 026 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 39.0 mt-10 -68.64 -24.77 64.59 Favored 'General case' 0 N--CA 1.476 0.841 0 O-C-N 120.85 -1.156 . . . . 0.0 113.237 169.581 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 88.2 m-20 -61.32 -32.32 72.18 Favored 'General case' 0 N--CA 1.474 0.744 0 O-C-N 121.152 -0.967 . . . . 0.0 112.0 -179.857 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 74.5 m-85 -70.77 -19.84 62.67 Favored 'General case' 0 CA--C 1.541 0.6 0 N-CA-C 114.054 1.131 . . . . 0.0 114.054 175.274 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 42.7 t -80.13 -49.32 11.87 Favored 'General case' 0 CA--C 1.54 0.572 0 C-N-CA 123.498 0.719 . . . . 0.0 111.07 169.55 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 25.2 t-20 . . . . . 0 CA--C 1.541 0.619 0 C-N-CA 124.729 1.212 . . . . 0.0 111.525 178.171 . . . . . . . . 0 0 . 1 . 026 nuclear nobuild core ' B' B ' 1' ' ' PHE . . . . . . . . . . . . . 73.6 t80 . . . . . 0 CA--C 1.54 0.559 0 N-CA-C 112.315 0.487 . . . . 0.0 112.315 . . . . . . . . . 0 0 . 1 . 026 nuclear nobuild core ' B' B ' 2' ' ' VAL . . . . . . . . . . . . . 17.9 m -133.35 135.65 55.93 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.755 0 C-N-CA 125.277 1.431 . . . . 0.0 109.715 167.359 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' B' B ' 3' ' ' ASN . . . . . . . . . . . . . 8.5 m-20 -61.47 141.64 57.55 Favored 'General case' 0 CA--C 1.534 0.344 0 CA-C-O 122.114 0.959 . . . . 0.0 113.335 -172.388 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' B' B ' 4' ' ' GLN . . . . . . . . . . . . . 5.9 pt20 -169.58 171.11 7.76 Favored 'General case' 0 CA--C 1.54 0.585 0 C-N-CA 127.933 2.493 . . . . 0.0 107.863 177.63 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' B' B ' 5' ' ' HIS . . . . . . . . . . . . . 17.5 m-70 -78.24 132.72 37.65 Favored 'General case' 0 CA--C 1.541 0.608 0 C-N-CA 124.34 1.056 . . . . 0.0 110.382 164.059 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 3.1 mm? -122.44 142.41 50.58 Favored 'General case' 0 CA--C 1.539 0.552 0 C-N-CA 125.556 1.543 . . . . 0.0 111.109 175.014 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' B' B ' 7' ' ' CYS . . . . . . . . . . . . . 86.9 m -140.63 154.9 46.62 Favored 'General case' 0 CA--C 1.541 0.622 0 C-N-CA 124.465 1.106 . . . . 0.0 112.279 -173.551 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' B' B ' 8' ' ' GLY . . . . . . . . . . . . . . . 53.8 -133.58 44.03 Favored Glycine 0 CA--C 1.535 1.32 0 C-N-CA 124.437 1.018 . . . . 0.0 114.606 169.656 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' B' B ' 9' ' ' SER . . . . . . . . . . . . . 39.9 p -62.74 -30.48 71.46 Favored 'General case' 0 N--CA 1.472 0.655 0 N-CA-C 113.446 0.906 . . . . 0.0 113.446 176.359 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' B' B ' 10' ' ' HIS . . . . . . . . . . . . . 26.5 m-70 -69.49 -30.32 68.16 Favored 'General case' 0 N--CA 1.469 0.49 0 O-C-N 121.444 -0.785 . . . . 0.0 111.74 177.296 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 45.6 tp -68.93 -41.05 78.62 Favored 'General case' 0 CA--C 1.538 0.501 0 C-N-CA 124.179 0.992 . . . . 0.0 112.099 173.095 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 71.6 t -66.23 -43.21 91.9 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.787 0 C-N-CA 123.764 0.825 . . . . 0.0 111.015 176.487 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 40.4 mt-10 -66.59 -43.45 84.84 Favored 'General case' 0 N--CA 1.469 0.507 0 O-C-N 121.468 -0.77 . . . . 0.0 111.987 174.421 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -62.2 -39.51 93.01 Favored 'General case' 0 CA--C 1.537 0.454 0 CA-C-N 119.139 0.882 . . . . 0.0 112.735 179.753 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' B' B ' 15' ' ' LEU . . . . . 0.433 ' HA ' HG12 ' B' ' 18' ' ' VAL . 2.1 pp -74.22 -34.13 63.59 Favored 'General case' 0 N--CA 1.468 0.462 0 CA-C-N 118.938 0.79 . . . . 0.0 111.834 -179.747 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' B' B ' 16' ' ' TYR . . . . . . . . . . . . . 2.9 t80 -63.64 -44.64 93.28 Favored 'General case' 0 CA--C 1.541 0.621 0 C-N-CA 123.794 0.838 . . . . 0.0 111.14 171.177 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 47.3 mt -69.54 -44.13 71.56 Favored 'General case' 0 N--CA 1.469 0.498 0 C-N-CA 124.191 0.996 . . . . 0.0 112.635 -177.632 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' B' B ' 18' ' ' VAL . . . . . 0.433 HG12 ' HA ' ' B' ' 15' ' ' LEU . 5.3 p -74.58 -28.16 21.84 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.819 0 C-N-CA 123.106 0.562 . . . . 0.0 112.252 -178.447 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' B' B ' 19' ' ' CYS . . . . . . . . . . . . . 48.8 t -75.5 -37.76 59.95 Favored 'General case' 0 CA--C 1.536 0.412 0 C-N-CA 123.823 0.849 . . . . 0.0 112.434 172.198 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.537 1.432 0 O-C-N 121.687 -0.633 . . . . 0.0 113.336 -176.696 . . . . . . . . 0 0 . 1 . 027 nuclear nobuild core ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 11.6 tt . . . . . 0 N--CA 1.475 0.787 0 N-CA-C 113.695 0.998 . . . . 0.0 113.695 . . . . . . . . . 0 0 . 1 . 027 nuclear nobuild core ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 7.5 p -59.94 -45.19 95.51 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.705 0 C-N-CA 123.923 0.889 . . . . 0.0 111.642 178.604 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 34.6 tt0 -73.77 -32.48 63.82 Favored 'General case' 0 CA--C 1.539 0.535 0 O-C-N 121.172 -0.955 . . . . 0.0 112.68 179.851 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 74.2 mt-30 -75.38 -33.24 61.01 Favored 'General case' 0 CA--C 1.538 0.505 0 N-CA-C 113.399 0.889 . . . . 0.0 113.399 176.127 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 71.3 m -109.4 -31.39 7.55 Favored 'General case' 0 CA--C 1.549 0.909 0 N-CA-C 116.266 1.951 . . . . 0.0 116.266 -171.613 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 89.5 m -87.2 -26.77 23.37 Favored 'General case' 0 N--CA 1.479 0.991 0 CA-C-N 120.989 1.722 . . . . 0.0 113.797 -171.199 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 13.8 t -111.26 -17.34 13.19 Favored 'General case' 0 N--CA 1.482 1.142 0 C-N-CA 125.229 1.412 . . . . 0.0 113.504 -176.218 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 80.0 p -144.16 173.47 11.71 Favored 'General case' 0 CA--C 1.541 0.596 0 C-N-CA 126.405 1.882 . . . . 0.0 110.697 171.594 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 51.3 mt -73.81 139.27 19.65 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.74 0 O-C-N 121.185 -0.947 . . . . 0.0 111.321 -179.402 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 18.5 p -124.71 158.84 32.26 Favored 'General case' 0 CA--C 1.541 0.602 0 C-N-CA 124.65 1.18 . . . . 0.0 112.126 166.83 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 64.7 p -98.64 166.81 11.15 Favored 'General case' 0 N--CA 1.468 0.46 0 C-N-CA 124.659 1.184 . . . . 0.0 112.563 179.26 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 2.2 pp -57.99 -29.88 65.61 Favored 'General case' 0 CA--C 1.543 0.706 0 C-N-CA 123.439 0.695 . . . . 0.0 112.275 169.124 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 48.0 m-85 -73.95 -29.03 61.79 Favored 'General case' 0 CA--C 1.539 0.52 0 C-N-CA 123.93 0.892 . . . . 0.0 112.514 179.961 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 42.0 mt-30 -73.47 -42.83 61.4 Favored 'General case' 0 N--CA 1.468 0.444 0 C-N-CA 123.843 0.857 . . . . 0.0 111.167 172.257 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 98.9 mt -57.84 -34.54 69.81 Favored 'General case' 0 CA--C 1.545 0.779 0 N-CA-C 113.282 0.845 . . . . 0.0 113.282 176.378 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 41.7 mt-10 -61.25 -21.72 64.15 Favored 'General case' 0 N--CA 1.475 0.796 0 N-CA-C 113.99 1.107 . . . . 0.0 113.99 175.801 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 80.6 m-20 -71.75 -23.47 61.61 Favored 'General case' 0 CA--C 1.544 0.735 0 O-C-N 121.254 -0.904 . . . . 0.0 112.347 174.524 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 55.4 m-85 -102.08 -24.52 13.95 Favored 'General case' 0 N--CA 1.471 0.605 0 N-CA-C 114.924 1.453 . . . . 0.0 114.924 -171.055 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 19.2 p -73.69 -27.23 61.11 Favored 'General case' 0 CA--C 1.54 0.583 0 N-CA-C 114.752 1.39 . . . . 0.0 114.752 -174.102 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 57.6 t-20 . . . . . 0 CA--C 1.544 0.713 0 C-N-CA 126.22 1.808 . . . . 0.0 112.629 -174.205 . . . . . . . . 0 0 . 1 . 027 nuclear nobuild core ' B' B ' 1' ' ' PHE . . . . . . . . . . . . . 43.6 t80 . . . . . 0 CA--C 1.542 0.664 0 N-CA-C 112.126 0.417 . . . . 0.0 112.126 . . . . . . . . . 0 0 . 1 . 027 nuclear nobuild core ' B' B ' 2' ' ' VAL . . . . . . . . . . . . . 47.7 t -136.4 129.47 46.19 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.821 0 C-N-CA 125.419 1.488 . . . . 0.0 108.915 172.779 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' B' B ' 3' ' ' ASN . . . . . . . . . . . . . 75.6 m-20 -59.8 136.9 58.14 Favored 'General case' 0 N--CA 1.469 0.49 0 CA-C-O 121.149 0.499 . . . . 0.0 111.817 178.898 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' B' B ' 4' ' ' GLN . . . . . . . . . . . . . 6.7 pt20 -164.99 163.92 20.67 Favored 'General case' 0 CA--C 1.536 0.442 0 C-N-CA 125.194 1.397 . . . . 0.0 110.347 179.687 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' B' B ' 5' ' ' HIS . . . . . . . . . . . . . 21.1 m-70 -72.0 72.41 0.85 Allowed 'General case' 0 CA--C 1.549 0.906 0 C-N-CA 125.945 1.698 . . . . 0.0 111.635 171.621 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 74.0 mt -66.16 131.31 45.87 Favored 'General case' 0 N--CA 1.471 0.585 0 C-N-CA 124.629 1.171 . . . . 0.0 112.36 -178.11 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' B' B ' 7' ' ' CYS . . . . . . . . . . . . . 2.4 t -151.83 161.82 42.04 Favored 'General case' 0 CA--C 1.541 0.615 0 N-CA-C 112.951 0.723 . . . . 0.0 112.951 176.799 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' B' B ' 8' ' ' GLY . . . . . . . . . . . . . . . 57.76 -136.18 51.03 Favored Glycine 0 CA--C 1.534 1.236 0 C-N-CA 124.135 0.874 . . . . 0.0 113.12 178.165 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' B' B ' 9' ' ' SER . . . . . . . . . . . . . 25.5 m -57.65 -36.73 72.25 Favored 'General case' 0 N--CA 1.472 0.671 0 C-N-CA 123.795 0.838 . . . . 0.0 112.787 178.533 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' B' B ' 10' ' ' HIS . . . . . . . . . . . . . 32.4 m170 -62.99 -37.48 87.3 Favored 'General case' 0 N--CA 1.471 0.622 0 C-N-CA 123.644 0.778 . . . . 0.0 112.354 178.164 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 48.4 tp -68.2 -42.19 80.22 Favored 'General case' 0 CA--C 1.537 0.465 0 C-N-CA 124.068 0.947 . . . . 0.0 112.073 176.76 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 86.7 t -66.45 -43.8 90.83 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.741 0 C-N-CA 123.786 0.834 . . . . 0.0 111.022 176.538 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 42.7 mt-10 -64.5 -41.64 96.31 Favored 'General case' 0 N--CA 1.469 0.493 0 O-C-N 121.534 -0.729 . . . . 0.0 112.055 176.472 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -64.6 -36.5 84.45 Favored 'General case' 0 CA--C 1.543 0.673 0 N-CA-C 113.37 0.878 . . . . 0.0 113.37 -178.1 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' B' B ' 15' ' ' LEU . . . . . 0.422 ' HA ' HG12 ' B' ' 18' ' ' VAL . 3.8 pp -80.95 -31.2 35.0 Favored 'General case' 0 N--CA 1.47 0.555 0 O-C-N 121.56 -0.712 . . . . 0.0 112.208 178.83 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' B' B ' 16' ' ' TYR . . . . . . . . . . . . . 5.7 t80 -63.44 -39.63 94.99 Favored 'General case' 0 CA--C 1.542 0.667 0 C-N-CA 124.693 1.197 . . . . 0.0 111.12 169.561 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 36.7 mt -71.97 -48.61 43.79 Favored 'General case' 0 N--CA 1.466 0.367 0 C-N-CA 124.5 1.12 . . . . 0.0 112.856 178.076 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' B' B ' 18' ' ' VAL . . . . . 0.422 HG12 ' HA ' ' B' ' 15' ' ' LEU . 4.4 p -65.84 -32.78 59.68 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.812 0 CA-C-N 118.332 0.514 . . . . 0.0 112.029 -174.646 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' B' B ' 19' ' ' CYS . . . . . . . . . . . . . 84.0 m -93.07 -27.44 16.96 Favored 'General case' 0 CA--C 1.538 0.483 0 N-CA-C 113.351 0.871 . . . . 0.0 113.351 -179.689 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.533 1.186 0 C-N-CA 124.497 1.046 . . . . 0.0 114.473 173.226 . . . . . . . . 0 0 . 1 . 028 nuclear nobuild core ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 5.1 tp . . . . . 0 N--CA 1.48 1.036 0 CA-C-O 121.127 0.489 . . . . 0.0 110.88 . . . . . . . . . 0 0 . 1 . 028 nuclear nobuild core ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 44.3 t -65.86 153.76 8.17 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.702 0 C-N-CA 124.933 1.293 . . . . 0.0 110.132 165.709 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 39.5 mt-10 66.07 -60.31 0.3 Allowed 'General case' 0 N--CA 1.47 0.57 0 C-N-CA 127.828 2.451 . . . . 0.0 112.392 -161.59 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 3.5 mp0 -59.54 -40.58 87.71 Favored 'General case' 0 N--CA 1.474 0.748 0 CA-C-N 119.396 0.998 . . . . 0.0 113.69 -171.55 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 19.1 m -94.3 -4.7 48.25 Favored 'General case' 0 CA--C 1.546 0.823 0 N-CA-C 114.856 1.428 . . . . 0.0 114.856 174.716 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 51.2 t -99.92 -31.33 11.53 Favored 'General case' 0 CA--C 1.545 0.786 0 C-N-CA 125.166 1.386 . . . . 0.0 113.724 179.826 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 6.2 t -78.92 -20.46 49.3 Favored 'General case' 0 N--CA 1.479 0.977 0 C-N-CA 125.202 1.401 . . . . 0.0 113.352 -175.44 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 8.6 t -145.96 175.75 10.21 Favored 'General case' 0 CA--C 1.537 0.48 0 C-N-CA 126.126 1.771 . . . . 0.0 110.255 172.168 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 26.2 mt -61.26 138.02 22.63 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.65 0 C-N-CA 123.611 0.764 . . . . 0.0 110.886 176.18 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 6.6 t -136.27 143.75 44.41 Favored 'General case' 0 CA--C 1.54 0.569 0 C-N-CA 124.949 1.299 . . . . 0.0 111.378 177.722 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 40.0 m -125.46 160.16 30.15 Favored 'General case' 0 N--CA 1.473 0.679 0 C-N-CA 125.012 1.325 . . . . 0.0 112.254 -167.3 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 2.2 pp -57.56 -32.92 67.61 Favored 'General case' 0 N--CA 1.473 0.707 0 O-C-N 121.41 -0.806 . . . . 0.0 113.111 -174.424 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 52.5 m-85 -65.56 -23.02 66.75 Favored 'General case' 0 CA--C 1.54 0.585 0 C-N-CA 125.175 1.39 . . . . 0.0 113.392 177.434 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 40.7 mt-30 -82.55 -46.72 13.0 Favored 'General case' 0 N--CA 1.466 0.348 0 C-N-CA 124.747 1.219 . . . . 0.0 110.442 170.981 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 86.5 mt -56.22 -31.11 63.2 Favored 'General case' 0 N--CA 1.474 0.741 0 C-N-CA 125.049 1.34 . . . . 0.0 113.455 179.664 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 62.1 mt-10 -59.53 -27.02 65.82 Favored 'General case' 0 CA--C 1.544 0.72 0 N-CA-C 113.917 1.08 . . . . 0.0 113.917 175.029 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 43.7 m-80 -73.2 -29.71 63.01 Favored 'General case' 0 N--CA 1.473 0.692 0 O-C-N 121.18 -0.95 . . . . 0.0 111.967 175.658 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 83.4 m-85 -78.74 -31.93 46.52 Favored 'General case' 0 CA--C 1.541 0.608 0 C-N-CA 124.673 1.189 . . . . 0.0 111.643 174.358 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 41.3 t -64.84 -45.75 84.82 Favored 'General case' 0 CA--C 1.545 0.767 0 C-N-CA 124.422 1.089 . . . . 0.0 111.851 168.934 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 50.8 t-20 . . . . . 0 CA--C 1.543 0.691 0 C-N-CA 125.147 1.379 . . . . 0.0 111.456 179.308 . . . . . . . . 0 0 . 1 . 028 nuclear nobuild core ' B' B ' 1' ' ' PHE . . . . . . . . . . . . . 42.3 t80 . . . . . 0 CA--C 1.541 0.634 0 N-CA-C 112.052 0.39 . . . . 0.0 112.052 . . . . . . . . . 0 0 . 1 . 028 nuclear nobuild core ' B' B ' 2' ' ' VAL . . . . . . . . . . . . . 48.3 t -136.32 127.49 42.9 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.927 0 C-N-CA 125.363 1.465 . . . . 0.0 109.367 174.639 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' B' B ' 3' ' ' ASN . . . . . . . . . . . . . 38.6 m-20 -63.02 138.5 58.58 Favored 'General case' 0 N--CA 1.469 0.485 0 C-N-CA 123.094 0.557 . . . . 0.0 111.467 -179.539 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' B' B ' 4' ' ' GLN . . . . . . . . . . . . . 8.0 pt20 -165.54 163.55 19.41 Favored 'General case' 0 CA--C 1.532 0.28 0 C-N-CA 124.617 1.167 . . . . 0.0 110.792 -177.098 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' B' B ' 5' ' ' HIS . . . . . . . . . . . . . 24.4 m-70 -69.58 77.76 0.42 Allowed 'General case' 0 CA--C 1.544 0.745 0 C-N-CA 125.882 1.673 . . . . 0.0 110.238 164.79 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 42.3 mt -62.53 119.34 8.99 Favored 'General case' 0 N--CA 1.47 0.545 0 C-N-CA 124.931 1.293 . . . . 0.0 112.535 -172.755 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' B' B ' 7' ' ' CYS . . . . . . . . . . . . . 0.7 OUTLIER -163.56 178.72 7.76 Favored 'General case' 0 CA--C 1.542 0.651 0 C-N-CA 123.952 0.901 . . . . 0.0 111.564 -174.981 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' B' B ' 8' ' ' GLY . . . . . . . . . . . . . . . 61.03 37.62 94.18 Favored Glycine 0 N--CA 1.478 1.435 0 O-C-N 120.661 -1.275 . . . . 0.0 115.006 170.47 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' B' B ' 9' ' ' SER . . . . . . . . . . . . . 1.6 t 70.22 -8.82 0.81 Allowed 'General case' 0 N--CA 1.476 0.861 0 C-N-CA 128.653 2.781 . . . . 0.0 116.255 -172.426 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' B' B ' 10' ' ' HIS . . . . . . . . . . . . . 28.6 m-70 -62.11 -32.0 72.51 Favored 'General case' 0 N--CA 1.479 0.983 0 O-C-N 120.125 -1.61 . . . . 0.0 111.273 167.439 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 55.3 tp -58.33 -42.83 87.65 Favored 'General case' 0 CA--C 1.538 0.496 0 C-N-CA 125.634 1.574 . . . . 0.0 112.869 170.965 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 47.3 t -70.64 -43.19 77.77 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.664 0 C-N-CA 124.031 0.932 . . . . 0.0 110.337 179.508 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 45.3 mt-10 -63.89 -40.57 96.83 Favored 'General case' 0 N--CA 1.471 0.594 0 O-C-N 121.801 -0.562 . . . . 0.0 112.286 175.303 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -64.37 -39.17 93.35 Favored 'General case' 0 CA--C 1.541 0.632 0 O-C-N 121.346 -0.847 . . . . 0.0 112.935 179.559 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' B' B ' 15' ' ' LEU . . . . . 0.423 ' HA ' HG12 ' B' ' 18' ' ' VAL . 3.6 pp -79.62 -30.21 41.31 Favored 'General case' 0 N--CA 1.468 0.461 0 O-C-N 121.811 -0.555 . . . . 0.0 111.731 178.278 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' B' B ' 16' ' ' TYR . . . . . . . . . . . . . 3.6 t80 -62.34 -40.78 97.49 Favored 'General case' 0 CA--C 1.54 0.577 0 C-N-CA 123.814 0.845 . . . . 0.0 111.423 170.033 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 40.4 mt -67.94 -47.67 68.05 Favored 'General case' 0 N--CA 1.467 0.399 0 C-N-CA 123.284 0.634 . . . . 0.0 112.128 -179.499 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' B' B ' 18' ' ' VAL . . . . . 0.423 HG12 ' HA ' ' B' ' 15' ' ' LEU . 5.1 p -73.22 -27.39 24.02 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.953 0 N-CA-C 113.183 0.809 . . . . 0.0 113.183 -177.451 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' B' B ' 19' ' ' CYS . . . . . . . . . . . . . 6.5 t -90.43 -37.18 14.13 Favored 'General case' 0 CA--C 1.542 0.655 0 C-N-CA 124.009 0.924 . . . . 0.0 112.78 -179.624 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.536 1.362 0 C-N-CA 124.959 1.266 . . . . 0.0 115.097 -178.076 . . . . . . . . 0 0 . 1 . 029 nuclear nobuild core ' A' A ' 2' ' ' ILE . . . . . 0.439 HD13 ' CD2' ' A' ' 19' ' ' TYR . 4.7 tp . . . . . 0 N--CA 1.48 1.067 0 N-CA-C 114.814 1.413 . . . . 0.0 114.814 . . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 7.1 p -68.4 -46.25 80.9 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.872 0 O-C-N 121.264 -0.897 . . . . 0.0 111.968 178.62 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 41.4 tt0 -67.69 -29.15 68.35 Favored 'General case' 0 CA--C 1.543 0.697 0 C-N-CA 124.169 0.988 . . . . 0.0 112.525 177.682 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 6.3 tp-100 -63.35 -40.02 96.13 Favored 'General case' 0 CA--C 1.538 0.496 0 C-N-CA 124.213 1.005 . . . . 0.0 112.178 175.954 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 90.6 m -119.18 -25.22 6.21 Favored 'General case' 0 CA--C 1.544 0.722 0 N-CA-C 116.183 1.92 . . . . 0.0 116.183 -164.377 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 19.9 t -81.37 -30.36 33.74 Favored 'General case' 0 CA--C 1.543 0.71 0 CA-C-N 119.904 1.229 . . . . 0.0 113.012 -170.775 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 10.7 t -101.22 -18.43 16.15 Favored 'General case' 0 N--CA 1.479 0.996 0 C-N-CA 125.153 1.381 . . . . 0.0 113.895 -176.586 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 8.3 t -151.85 167.61 27.75 Favored 'General case' 0 N--CA 1.472 0.648 0 C-N-CA 125.556 1.542 . . . . 0.0 111.303 179.324 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 25.1 mt -61.01 139.15 20.79 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.599 0 C-N-CA 124.322 1.049 . . . . 0.0 111.3 178.389 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 14.4 p -132.55 167.99 19.03 Favored 'General case' 0 CA--C 1.543 0.701 0 C-N-CA 124.193 0.997 . . . . 0.0 112.194 168.794 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 65.4 m -129.19 159.1 37.11 Favored 'General case' 0 N--CA 1.474 0.75 0 C-N-CA 124.8 1.24 . . . . 0.0 112.559 -173.401 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 2.0 pp -58.33 -31.98 68.06 Favored 'General case' 0 N--CA 1.472 0.639 0 C-N-CA 124.081 0.953 . . . . 0.0 113.113 -175.611 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 51.2 m-85 -66.43 -22.12 66.22 Favored 'General case' 0 CA--C 1.54 0.56 0 C-N-CA 125.251 1.421 . . . . 0.0 113.312 177.315 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 38.6 mt-30 -85.69 -40.65 15.92 Favored 'General case' 0 N--CA 1.467 0.413 0 C-N-CA 124.765 1.226 . . . . 0.0 110.8 172.153 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 83.7 mt -60.84 -32.33 71.73 Favored 'General case' 0 CA--C 1.544 0.74 0 C-N-CA 123.491 0.716 . . . . 0.0 112.663 173.728 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 5.0 mm-40 -58.27 -29.49 65.84 Favored 'General case' 0 N--CA 1.473 0.682 0 C-N-CA 124.723 1.209 . . . . 0.0 113.437 171.85 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 83.9 m-20 -69.82 -34.55 73.83 Favored 'General case' 0 CA--C 1.54 0.576 0 O-C-N 120.889 -1.132 . . . . 0.0 111.527 176.773 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 19' ' ' TYR . . . . . 0.439 ' CD2' HD13 ' A' ' 2' ' ' ILE . 38.6 m-85 -78.45 -27.96 46.53 Favored 'General case' 0 CA--C 1.541 0.62 0 C-N-CA 124.095 0.958 . . . . 0.0 112.367 174.795 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 41.0 t -63.84 -36.93 85.52 Favored 'General case' 0 CA--C 1.546 0.809 0 C-N-CA 123.884 0.874 . . . . 0.0 112.091 167.799 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 CA--C 1.541 0.599 0 C-N-CA 124.676 1.19 . . . . 0.0 112.044 176.543 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' B' B ' 1' ' ' PHE . . . . . . . . . . . . . 37.6 t80 . . . . . 0 CA--C 1.541 0.611 0 N-CA-C 111.994 0.368 . . . . 0.0 111.994 . . . . . . . . . 0 0 . 1 . 029 nuclear nobuild core ' B' B ' 2' ' ' VAL . . . . . . . . . . . . . 48.3 t -137.75 131.55 43.15 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.838 0 C-N-CA 125.497 1.519 . . . . 0.0 108.652 170.193 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' B' B ' 3' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -56.94 137.88 54.81 Favored 'General case' 0 N--CA 1.47 0.551 0 N-CA-C 113.232 0.826 . . . . 0.0 113.232 177.6 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' B' B ' 4' ' ' GLN . . . . . . . . . . . . . 7.7 pt20 -168.55 160.98 11.33 Favored 'General case' 0 N--CA 1.45 -0.449 0 C-N-CA 126.605 1.962 . . . . 0.0 108.934 -177.963 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' B' B ' 5' ' ' HIS . . . . . 0.481 ' H ' ' CD2' ' B' ' 5' ' ' HIS . 10.5 m-70 -61.2 135.83 57.87 Favored 'General case' 0 CA--C 1.541 0.629 0 C-N-CA 124.701 1.201 . . . . 0.0 109.593 161.753 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 63.0 mt -139.46 130.03 25.78 Favored 'General case' 0 N--CA 1.471 0.593 0 C-N-CA 124.963 1.305 . . . . 0.0 110.572 -176.663 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' B' B ' 7' ' ' CYS . . . . . . . . . . . . . 3.0 t -149.53 161.28 42.45 Favored 'General case' 0 CA--C 1.54 0.583 0 C-N-CA 123.41 0.684 . . . . 0.0 112.454 178.765 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' B' B ' 8' ' ' GLY . . . . . . . . . . . . . . . 57.46 -138.34 48.23 Favored Glycine 0 CA--C 1.533 1.211 0 C-N-CA 124.112 0.863 . . . . 0.0 113.07 179.574 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' B' B ' 9' ' ' SER . . . . . . . . . . . . . 21.4 m -57.61 -32.73 67.51 Favored 'General case' 0 N--CA 1.472 0.636 0 C-N-CA 123.958 0.903 . . . . 0.0 113.296 179.447 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' B' B ' 10' ' ' HIS . . . . . . . . . . . . . 29.1 m-70 -67.34 -36.69 81.94 Favored 'General case' 0 N--CA 1.473 0.705 0 O-C-N 121.528 -0.732 . . . . 0.0 112.025 177.885 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 41.3 tp -68.5 -41.93 79.32 Favored 'General case' 0 N--CA 1.469 0.478 0 C-N-CA 123.58 0.752 . . . . 0.0 111.945 174.393 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 85.8 t -62.8 -45.32 99.15 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.794 0 C-N-CA 123.752 0.821 . . . . 0.0 110.888 175.794 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 37.8 mt-10 -64.82 -40.6 95.48 Favored 'General case' 0 CA--C 1.537 0.46 0 O-C-N 121.625 -0.672 . . . . 0.0 112.229 176.77 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -62.49 -39.96 95.18 Favored 'General case' 0 CA--C 1.542 0.669 0 CA-C-N 119.133 0.878 . . . . 0.0 112.826 178.112 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' B' B ' 15' ' ' LEU . . . . . 0.408 ' HA ' HG12 ' B' ' 18' ' ' VAL . 3.5 pp -78.76 -27.06 44.63 Favored 'General case' 0 CA--C 1.54 0.559 0 O-C-N 121.805 -0.56 . . . . 0.0 112.476 178.04 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' B' B ' 16' ' ' TYR . . . . . . . . . . . . . 1.5 t80 -67.09 -40.99 87.07 Favored 'General case' 0 CA--C 1.537 0.472 0 C-N-CA 123.774 0.829 . . . . 0.0 111.708 169.204 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 39.2 mt -67.77 -44.25 77.9 Favored 'General case' 0 CA--C 1.535 0.393 0 O-C-N 121.413 -0.804 . . . . 0.0 112.127 -178.901 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' B' B ' 18' ' ' VAL . . . . . 0.408 HG12 ' HA ' ' B' ' 15' ' ' LEU . 4.8 p -72.59 -32.81 42.77 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.729 0 C-N-CA 122.834 0.453 . . . . 0.0 112.154 -179.441 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' B' B ' 19' ' ' CYS . . . . . . . . . . . . . 9.1 t -89.35 -40.66 12.62 Favored 'General case' 0 CA--C 1.539 0.556 0 C-N-CA 123.493 0.717 . . . . 0.0 112.897 -175.033 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.533 1.21 0 C-N-CA 124.695 1.141 . . . . 0.0 114.284 176.885 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.681 0 N-CA-C 112.635 -0.186 . . . . 0.0 112.635 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -55.36 -40.93 59.59 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.967 0 C-N-CA 126.124 1.77 . . . . 0.0 113.6 -171.332 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 7.2 p -61.89 -41.79 92.13 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.751 0 C-N-CA 124.123 0.969 . . . . 0.0 112.635 178.479 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 41.2 mt-10 -68.83 -54.09 17.78 Favored 'General case' 0 C--N 1.331 -0.207 0 C-N-CA 123.938 0.895 . . . . 0.0 109.641 174.735 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 18.6 mm100 -54.36 -45.77 72.85 Favored 'General case' 0 CA--C 1.536 0.41 0 C-N-CA 124.384 1.074 . . . . 0.0 112.453 -175.874 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 75.1 m -87.51 -13.5 42.87 Favored 'General case' 0 CA--C 1.538 0.504 0 N-CA-C 114.944 1.461 . . . . 0.0 114.944 -177.516 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 8.3 t -98.37 -20.13 17.34 Favored 'General case' 0 CA--C 1.548 0.875 0 CA-C-N 119.585 1.084 . . . . 0.0 113.045 174.514 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 1.5 t -94.17 -26.95 16.47 Favored 'General case' 0 N--CA 1.478 0.973 0 C-N-CA 125.294 1.438 . . . . 0.0 113.347 174.186 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 67.8 m -135.83 162.55 32.48 Favored 'General case' 0 N--CA 1.473 0.699 0 C-N-CA 126.504 1.922 . . . . 0.0 110.956 176.238 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 53.4 mt -67.57 139.44 20.9 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.729 0 O-C-N 121.301 -0.875 . . . . 0.0 111.486 -179.279 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 57.6 m -125.46 111.51 15.18 Favored 'General case' 0 CA--C 1.535 0.393 0 C-N-CA 124.482 1.113 . . . . 0.0 110.918 168.084 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 3.7 t -72.88 169.99 15.68 Favored 'General case' 0 N--CA 1.468 0.431 0 C-N-CA 123.681 0.793 . . . . 0.0 111.305 167.0 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 2.3 pt? -57.67 -31.0 65.9 Favored 'General case' 0 CA--C 1.542 0.657 0 O-C-N 121.502 -0.749 . . . . 0.0 111.954 170.806 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 26.6 m-85 -68.47 -20.81 64.64 Favored 'General case' 0 N--CA 1.471 0.608 0 C-N-CA 124.28 1.032 . . . . 0.0 113.519 177.984 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 40.2 mt-30 -93.41 -48.32 6.46 Favored 'General case' 0 N--CA 1.468 0.443 0 C-N-CA 125.84 1.656 . . . . 0.0 111.093 174.724 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 95.7 mt -58.61 -35.26 72.18 Favored 'General case' 0 N--CA 1.47 0.552 0 C-N-CA 124.776 1.23 . . . . 0.0 113.6 -178.689 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -60.45 -33.1 72.06 Favored 'General case' 0 N--CA 1.471 0.608 0 N-CA-C 113.749 1.018 . . . . 0.0 113.749 -179.516 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 43.9 m-80 -61.71 -35.96 79.55 Favored 'General case' 0 N--CA 1.472 0.636 0 C-N-CA 123.346 0.658 . . . . 0.0 111.971 178.434 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 96.9 m-85 -75.05 -11.31 60.07 Favored 'General case' 0 CA--C 1.54 0.56 0 N-CA-C 114.581 1.326 . . . . 0.0 114.581 -176.994 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 10.1 t -73.8 -25.08 59.93 Favored 'General case' 0 CA--C 1.546 0.817 0 CA-C-N 118.763 0.71 . . . . 0.0 112.704 174.083 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 25.2 t-20 . . . . . 0 CA--C 1.543 0.691 0 C-N-CA 124.643 1.177 . . . . 0.0 112.264 179.69 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' B' B ' 1' ' ' PHE . . . . . . . . . . . . . 6.5 t80 . . . . . 0 CA--C 1.542 0.652 0 CA-C-O 120.9 0.381 . . . . 0.0 111.902 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' B' B ' 2' ' ' VAL . . . . . . . . . . . . . 7.5 p -145.71 145.83 19.98 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.801 0 C-N-CA 124.821 1.248 . . . . 0.0 111.103 169.336 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 3' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -62.7 130.57 45.56 Favored 'General case' 0 N--CA 1.451 -0.42 0 N-CA-C 113.98 1.104 . . . . 0.0 113.98 -172.647 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 4' ' ' GLN . . . . . . . . . . . . . 7.3 pt20 -162.78 153.11 16.45 Favored 'General case' 0 CA--C 1.537 0.444 0 C-N-CA 125.022 1.329 . . . . 0.0 111.045 -179.539 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 5' ' ' HIS . . . . . . . . . . . . . 31.9 m-70 -71.57 145.03 49.32 Favored 'General case' 0 CA--C 1.541 0.606 0 C-N-CA 124.629 1.171 . . . . 0.0 109.992 161.413 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 70.4 mt -139.71 139.03 36.46 Favored 'General case' 0 N--CA 1.47 0.565 0 C-N-CA 125.656 1.582 . . . . 0.0 111.397 -172.741 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 7' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -136.2 154.17 51.02 Favored 'General case' 0 CA--C 1.542 0.668 0 C-N-CA 124.356 1.062 . . . . 0.0 111.469 -178.272 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 8' ' ' GLY . . . . . . . . . . . . . . . 49.37 -123.89 13.11 Favored Glycine 0 CA--C 1.537 1.457 0 C-N-CA 124.576 1.084 . . . . 0.0 115.37 168.251 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 9' ' ' SER . . . . . . . . . . . . . 35.2 p -62.8 -38.28 90.07 Favored 'General case' 0 N--CA 1.471 0.589 0 C-N-CA 124.866 1.266 . . . . 0.0 113.544 179.138 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 10' ' ' HIS . . . . . . . . . . . . . 32.1 m170 -61.6 -40.23 94.05 Favored 'General case' 0 N--CA 1.471 0.613 0 O-C-N 121.408 -0.807 . . . . 0.0 111.451 174.929 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 58.9 tp -70.45 -46.82 63.1 Favored 'General case' 0 CA--C 1.534 0.358 0 C-N-CA 124.367 1.067 . . . . 0.0 112.65 178.187 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 1.7 p -67.49 -36.51 76.58 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.719 0 CA-C-N 118.094 0.406 . . . . 0.0 111.996 -176.362 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 42.0 mt-10 -68.52 -41.18 80.31 Favored 'General case' 0 CA--C 1.536 0.438 0 O-C-N 121.691 -0.631 . . . . 0.0 112.127 172.471 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -63.19 -37.24 86.44 Favored 'General case' 0 CA--C 1.545 0.772 0 O-C-N 121.131 -0.981 . . . . 0.0 113.145 -179.291 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 4.2 pp -79.77 -28.64 40.33 Favored 'General case' 0 N--CA 1.472 0.667 0 O-C-N 121.608 -0.682 . . . . 0.0 112.671 176.914 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 16' ' ' TYR . . . . . . . . . . . . . 2.5 t80 -65.7 -38.4 89.14 Favored 'General case' 0 CA--C 1.541 0.604 0 C-N-CA 123.574 0.749 . . . . 0.0 111.636 169.259 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 26.6 mt -71.8 -41.28 68.47 Favored 'General case' 0 N--CA 1.467 0.406 0 C-N-CA 123.978 0.911 . . . . 0.0 112.291 -175.249 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 18' ' ' VAL . . . . . . . . . . . . . 10.8 p -71.54 -34.48 53.02 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.689 0 C-N-CA 122.904 0.481 . . . . 0.0 111.821 175.112 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 19' ' ' CYS . . . . . . . . . . . . . 16.3 t -77.26 -34.91 55.65 Favored 'General case' 0 CA--C 1.541 0.609 0 N-CA-C 113.404 0.89 . . . . 0.0 113.404 -179.607 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . 73.35 17.29 78.83 Favored Glycine 0 CA--C 1.538 1.492 0 C-N-CA 124.487 1.042 . . . . 0.0 114.184 -174.972 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 35.4 tt0 -145.17 142.53 29.68 Favored 'General case' 0 CA--C 1.542 0.636 0 C-N-CA 125.532 1.533 . . . . 0.0 111.403 -175.344 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 22' ' ' ARG . . . . . . . . . . . . . 11.2 ptm180 -75.07 -33.87 61.73 Favored 'General case' 0 N--CA 1.478 0.935 0 N-CA-C 115.627 1.714 . . . . 0.0 115.627 -171.293 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . 63.97 -168.67 23.56 Favored Glycine 0 CA--C 1.539 1.59 0 CA-C-N 118.263 0.483 . . . . 0.0 113.041 -162.409 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 24' ' ' DHI . . . . . 0.468 ' HD1' ' H ' ' B' ' 25' ' ' PHE . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 25' ' ' PHE . . . . . 0.468 ' H ' ' HD1' ' B' ' 24' ' ' DHI . 36.9 m-85 -78.38 175.0 10.67 Favored 'General case' 0 CA--C 1.544 0.738 0 C-N-CA 125.403 1.481 . . . . 0.0 112.397 -178.826 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 26' ' ' TYR . . . . . . . . . . . . . 77.1 m-85 -54.47 131.07 41.8 Favored 'General case' 0 CA--C 1.542 0.668 0 C-N-CA 124.019 0.928 . . . . 0.0 111.499 176.335 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 27' ' ' THR . . . . . . . . . . . . . 26.1 m 51.88 80.05 0.32 Allowed Pre-proline 0 N--CA 1.48 1.049 0 C-N-CA 125.518 1.527 . . . . 0.0 111.735 -163.314 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 28' ' ' PRO . . . . . . . . . . . . . 81.1 Cg_exo -53.38 140.17 63.61 Favored 'Trans proline' 0 C--N 1.353 0.772 0 C-N-CA 124.071 3.181 . . . . 0.0 114.261 -177.04 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 14.5 mmmm -108.63 -5.13 16.57 Favored 'General case' 0 N--CA 1.481 1.094 0 N-CA-C 114.564 1.32 . . . . 0.0 114.564 -174.827 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 30' ' ' THR . . . . . . . . . . . . . 8.4 m . . . . . 0 C--O 1.251 1.175 0 C-N-CA 125.764 1.626 . . . . 0.0 111.501 -174.232 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.625 0 N-CA-C 111.507 -0.637 . . . . 0.0 111.507 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 18.3 tt -75.89 -44.7 38.5 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.806 0 N-CA-C 114.002 1.112 . . . . 0.0 114.002 -166.941 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 7.5 p -58.52 -46.24 89.91 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.135 0 C-N-CA 124.351 1.06 . . . . 0.0 112.278 -179.825 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 24.4 pt-20 -76.03 6.42 5.28 Favored 'General case' 0 N--CA 1.475 0.807 0 C-N-CA 127.052 2.141 . . . . 0.0 114.666 179.257 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 29.0 mm-40 -122.49 -38.85 2.61 Favored 'General case' 0 N--CA 1.468 0.436 0 C-N-CA 124.983 1.313 . . . . 0.0 112.116 172.855 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 82.5 m -99.97 -36.26 9.44 Favored 'General case' 0 CA--C 1.535 0.397 0 C-N-CA 124.439 1.096 . . . . 0.0 113.095 -173.201 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 79.5 m -82.35 -19.05 40.03 Favored 'General case' 0 N--CA 1.476 0.84 0 CA-C-N 119.28 0.945 . . . . 0.0 112.18 177.168 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 39.3 p -93.47 -36.17 12.59 Favored 'General case' 0 N--CA 1.473 0.7 0 C-N-CA 126.452 1.901 . . . . 0.0 113.315 -177.36 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 74.5 m -150.24 -177.25 5.83 Favored 'General case' 0 N--CA 1.472 0.653 0 C-N-CA 127.03 2.132 . . . . 0.0 110.728 -171.21 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 17.7 mt -70.3 132.23 33.42 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.568 0 O-C-N 120.887 -1.133 . . . . 0.0 109.369 162.228 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 31.6 p -113.65 147.69 37.67 Favored 'General case' 0 CA--C 1.537 0.475 0 C-N-CA 124.913 1.285 . . . . 0.0 110.789 168.675 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 23.7 m -88.19 162.29 16.77 Favored 'General case' 0 N--CA 1.47 0.545 0 C-N-CA 123.457 0.703 . . . . 0.0 112.348 -170.943 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 7.6 mp -49.53 -48.21 48.39 Favored 'General case' 0 N--CA 1.47 0.553 0 C-N-CA 125.142 1.377 . . . . 0.0 111.551 175.795 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 33.9 m-85 -61.79 -38.64 88.86 Favored 'General case' 0 CA--C 1.536 0.427 0 C-N-CA 124.997 1.319 . . . . 0.0 112.282 -178.104 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 46.3 mt-30 -69.62 -47.17 64.36 Favored 'General case' 0 N--CA 1.467 0.409 0 O-C-N 121.641 -0.662 . . . . 0.0 110.484 176.706 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 63.5 mt -58.94 -38.52 79.19 Favored 'General case' 0 CA--C 1.544 0.718 0 C-N-CA 123.239 0.615 . . . . 0.0 112.55 176.347 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 37.3 mt-10 -66.06 -33.99 77.06 Favored 'General case' 0 CA--C 1.544 0.715 0 C-N-CA 123.597 0.759 . . . . 0.0 112.899 174.317 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 9.7 m-80 -62.31 -25.52 67.92 Favored 'General case' 0 N--CA 1.474 0.768 0 O-C-N 120.747 -1.22 . . . . 0.0 112.555 173.679 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 44.8 m-85 -84.16 -14.41 50.28 Favored 'General case' 0 CA--C 1.54 0.584 0 N-CA-C 113.808 1.04 . . . . 0.0 113.808 178.219 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 6.2 p -90.7 -36.26 14.44 Favored 'General case' 0 CA--C 1.543 0.687 0 CA-C-N 119.182 0.901 . . . . 0.0 112.431 165.984 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 49.7 t-20 . . . . . 0 CA--C 1.541 0.629 0 C-N-CA 125.413 1.485 . . . . 0.0 111.542 179.711 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' B' B ' 1' ' ' PHE . . . . . . . . . . . . . 53.7 t80 . . . . . 0 CA--C 1.542 0.658 0 N-CA-C 112.137 0.421 . . . . 0.0 112.137 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' B' B ' 2' ' ' VAL . . . . . . . . . . . . . 48.1 t -135.23 126.66 46.09 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.896 0 C-N-CA 125.301 1.441 . . . . 0.0 109.352 174.293 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 3' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -63.98 146.44 54.09 Favored 'General case' 0 N--CA 1.467 0.401 0 N-CA-C 113.898 1.073 . . . . 0.0 113.898 179.64 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 4' ' ' GLN . . . . . . . . . . . . . 6.1 pt20 -165.91 165.22 18.32 Favored 'General case' 0 CA--C 1.539 0.536 0 C-N-CA 128.468 2.707 . . . . 0.0 107.467 -177.254 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 5' ' ' HIS . . . . . 0.53 ' H ' ' CD2' ' B' ' 5' ' ' HIS . 2.8 m-70 -62.38 131.81 50.51 Favored 'General case' 0 N--CA 1.47 0.569 0 C-N-CA 124.848 1.259 . . . . 0.0 109.403 167.714 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 34.6 mt -144.65 132.26 21.03 Favored 'General case' 0 N--CA 1.469 0.522 0 C-N-CA 125.249 1.42 . . . . 0.0 110.681 -168.114 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 7' ' ' CYS . . . . . . . . . . . . . 1.5 t -148.18 163.67 36.27 Favored 'General case' 0 CA--C 1.539 0.557 0 N-CA-C 113.062 0.764 . . . . 0.0 113.062 177.155 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 8' ' ' GLY . . . . . . . . . . . . . . . 58.19 -138.1 49.21 Favored Glycine 0 CA--C 1.534 1.256 0 C-N-CA 124.184 0.897 . . . . 0.0 113.389 178.491 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 9' ' ' SER . . . . . . . . . . . . . 42.3 p -59.12 -32.27 69.69 Favored 'General case' 0 N--CA 1.472 0.655 0 C-N-CA 124.046 0.938 . . . . 0.0 113.516 177.796 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 10' ' ' HIS . . . . . . . . . . . . . 25.2 m-70 -67.14 -35.86 80.62 Favored 'General case' 0 N--CA 1.469 0.513 0 O-C-N 121.552 -0.718 . . . . 0.0 111.675 177.842 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 2.4 tm? -71.83 -40.76 68.85 Favored 'General case' 0 CA--C 1.539 0.534 0 C-N-CA 124.896 1.278 . . . . 0.0 112.261 175.792 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 84.1 t -62.97 -43.35 98.99 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.943 0 C-N-CA 123.295 0.638 . . . . 0.0 111.354 174.162 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 38.8 mt-10 -68.04 -41.54 81.92 Favored 'General case' 0 CA--C 1.538 0.512 0 O-C-N 121.536 -0.728 . . . . 0.0 112.276 174.108 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -61.96 -41.76 98.35 Favored 'General case' 0 CA--C 1.537 0.449 0 O-C-N 121.149 -0.969 . . . . 0.0 113.162 -179.338 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 15' ' ' LEU . . . . . 0.404 ' HA ' HG12 ' B' ' 18' ' ' VAL . 2.6 pp -71.72 -34.38 69.53 Favored 'General case' 0 N--CA 1.468 0.458 0 CA-C-N 118.79 0.723 . . . . 0.0 111.426 178.974 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 16' ' ' TYR . . . . . . . . . . . . . 1.5 t80 -62.75 -42.5 99.71 Favored 'General case' 0 CA--C 1.541 0.61 0 C-N-CA 123.939 0.895 . . . . 0.0 111.435 171.669 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 43.6 mt -71.51 -44.56 64.43 Favored 'General case' 0 N--CA 1.469 0.479 0 C-N-CA 124.563 1.145 . . . . 0.0 112.703 -177.54 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 18' ' ' VAL . . . . . 0.404 HG12 ' HA ' ' B' ' 15' ' ' LEU . 9.3 p -73.45 -29.32 27.12 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.831 0 C-N-CA 123.038 0.535 . . . . 0.0 112.183 -179.104 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 19' ' ' CYS . . . . . . . . . . . . . 35.8 t -75.86 -34.1 60.04 Favored 'General case' 0 CA--C 1.539 0.535 0 C-N-CA 124.085 0.954 . . . . 0.0 112.544 171.291 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . 65.66 36.5 92.45 Favored Glycine 0 CA--C 1.531 1.084 0 N-CA-C 111.366 -0.694 . . . . 0.0 111.366 -166.275 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 42.5 tt0 -60.48 132.65 54.58 Favored 'General case' 0 CA--C 1.546 0.798 0 C-N-CA 124.496 1.118 . . . . 0.0 112.599 -173.295 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 22' ' ' ARG . . . . . . . . . . . . . 9.3 mpt_? -80.48 35.49 0.35 Allowed 'General case' 0 N--CA 1.479 1.017 0 C-N-CA 126.111 1.765 . . . . 0.0 113.04 -176.712 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . -56.33 125.91 39.27 Favored Glycine 0 CA--C 1.533 1.218 0 C-N-CA 124.929 1.252 . . . . 0.0 113.028 -173.097 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 24' ' ' DHI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' B' B ' 25' ' ' PHE . . . . . . . . . . . . . 31.0 m-85 53.48 117.61 0.0 OUTLIER 'General case' 0 CA--C 1.544 0.717 0 C-N-CA 130.799 3.64 . . . . 0.0 117.448 165.243 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 26' ' ' TYR . . . . . . . . . . . . . 24.2 m-85 -133.33 152.59 51.93 Favored 'General case' 0 N--CA 1.471 0.614 0 C-N-CA 124.84 1.256 . . . . 0.0 112.568 -163.124 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 27' ' ' THR . . . . . . . . . . . . . 12.6 p -77.48 -40.74 2.22 Favored Pre-proline 0 N--CA 1.475 0.797 0 N-CA-C 115.918 1.822 . . . . 0.0 115.918 177.526 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 28' ' ' PRO . . . . . . . . . . . . . 80.7 Cg_endo -74.97 144.86 30.86 Favored 'Trans proline' 0 CA--C 1.541 0.849 0 C-N-CA 122.5 2.133 . . . . 0.0 112.051 174.22 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 64.6 tttm 61.51 147.01 0.02 OUTLIER 'General case' 0 N--CA 1.481 1.099 0 C-N-CA 128.141 2.576 . . . . 0.0 115.417 -176.896 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 30' ' ' THR . . . . . . . . . . . . . 31.8 m . . . . . 0 N--CA 1.479 1.013 0 C-N-CA 125.938 1.695 . . . . 0.0 111.244 168.319 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.621 0 N-CA-C 112.273 -0.331 . . . . 0.0 112.273 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 1.1 tp -93.8 -44.96 13.76 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.095 0 C-N-CA 125.374 1.47 . . . . 0.0 113.402 -168.613 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 18.5 t -62.48 -46.68 95.81 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.295 0 O-C-N 120.701 -1.249 . . . . 0.0 110.687 178.993 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 17.7 pt-20 -69.16 5.77 1.14 Allowed 'General case' 0 CA--C 1.549 0.916 0 C-N-CA 126.201 1.8 . . . . 0.0 115.346 175.714 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 24.5 mm-40 -127.56 -31.05 2.52 Favored 'General case' 0 N--CA 1.473 0.721 0 C-N-CA 124.777 1.231 . . . . 0.0 113.296 174.691 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 67.4 m -110.27 -19.65 12.92 Favored 'General case' 0 CA--C 1.543 0.693 0 N-CA-C 115.698 1.74 . . . . 0.0 115.698 179.31 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 48.2 t -103.96 -37.51 7.36 Favored 'General case' 0 N--CA 1.476 0.845 0 CA-C-N 119.571 1.078 . . . . 0.0 113.165 -179.535 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 4.8 t -74.8 -24.6 58.67 Favored 'General case' 0 N--CA 1.481 1.114 0 O-C-N 121.552 -0.717 . . . . 0.0 112.749 176.099 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 8.7 t -151.22 168.82 23.55 Favored 'General case' 0 CA--C 1.538 0.498 0 C-N-CA 126.463 1.905 . . . . 0.0 110.323 172.753 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 47.5 mt -67.7 142.71 16.15 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.741 0 C-N-CA 124.512 1.125 . . . . 0.0 111.663 -177.867 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 9.4 p -133.1 169.86 16.24 Favored 'General case' 0 CA--C 1.546 0.791 0 C-N-CA 124.925 1.29 . . . . 0.0 111.863 167.311 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 34.3 m -113.58 159.64 19.4 Favored 'General case' 0 N--CA 1.474 0.769 0 C-N-CA 125.46 1.504 . . . . 0.0 111.418 -178.388 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 2.6 pt? -57.68 -30.92 65.86 Favored 'General case' 0 CA--C 1.542 0.657 0 N-CA-C 113.559 0.948 . . . . 0.0 113.559 177.205 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 25.5 m-85 -64.83 -25.3 67.85 Favored 'General case' 0 CA--C 1.539 0.55 0 C-N-CA 124.71 1.204 . . . . 0.0 113.292 175.197 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 19.4 mm100 -80.14 -46.28 16.7 Favored 'General case' 0 N--CA 1.467 0.41 0 C-N-CA 123.982 0.913 . . . . 0.0 110.655 171.11 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 81.4 mt -53.76 -33.45 55.84 Favored 'General case' 0 N--CA 1.474 0.77 0 C-N-CA 124.933 1.293 . . . . 0.0 113.758 179.65 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 39.5 mt-10 -57.73 -22.48 46.8 Favored 'General case' 0 N--CA 1.478 0.973 0 N-CA-C 114.436 1.273 . . . . 0.0 114.436 175.649 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 44.8 m-80 -81.18 -33.56 32.94 Favored 'General case' 0 N--CA 1.47 0.556 0 CA-C-N 119.156 0.889 . . . . 0.0 112.111 177.643 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 94.0 m-85 -75.27 -15.99 60.48 Favored 'General case' 0 N--CA 1.472 0.653 0 C-N-CA 124.332 1.053 . . . . 0.0 113.57 -176.559 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 32.9 t -65.76 -25.34 67.22 Favored 'General case' 0 CA--C 1.548 0.868 0 C-N-CA 124.054 0.942 . . . . 0.0 112.552 166.518 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 15.8 p30 . . . . . 0 CA--C 1.54 0.575 0 C-N-CA 126.189 1.796 . . . . 0.0 111.632 -171.486 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' B' B ' 1' ' ' PHE . . . . . . . . . . . . . 34.0 t80 . . . . . 0 CA--C 1.54 0.562 0 N-CA-C 111.89 0.33 . . . . 0.0 111.89 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' B' B ' 2' ' ' VAL . . . . . . . . . . . . . 17.7 m -135.89 136.0 50.24 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.744 0 C-N-CA 125.082 1.353 . . . . 0.0 110.216 167.475 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 3' ' ' ASN . . . . . . . . . . . . . 10.9 m-20 -63.19 143.02 58.15 Favored 'General case' 0 CA--C 1.535 0.385 0 CA-C-O 121.794 0.806 . . . . 0.0 112.387 -178.85 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 4' ' ' GLN . . . . . . . . . . . . . 6.9 pt20 -167.87 163.53 13.95 Favored 'General case' 0 CA--C 1.537 0.457 0 C-N-CA 126.627 1.971 . . . . 0.0 109.089 -177.827 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 5' ' ' HIS . . . . . . . . . . . . . 30.4 m-70 -72.62 72.53 1.03 Allowed 'General case' 0 CA--C 1.545 0.769 0 C-N-CA 125.206 1.402 . . . . 0.0 111.369 170.66 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 70.9 mt -62.24 135.99 57.73 Favored 'General case' 0 N--CA 1.47 0.56 0 C-N-CA 124.942 1.297 . . . . 0.0 111.447 178.295 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 7' ' ' CYS . . . . . . . . . . . . . 0.9 OUTLIER -148.41 157.69 43.63 Favored 'General case' 0 N--CA 1.47 0.573 0 N-CA-C 113.235 0.828 . . . . 0.0 113.235 -177.599 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 8' ' ' GLY . . . . . . . . . . . . . . . 54.16 -133.95 45.13 Favored Glycine 0 CA--C 1.533 1.213 0 C-N-CA 124.23 0.919 . . . . 0.0 113.584 174.863 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 9' ' ' SER . . . . . . . . . . . . . 25.4 m -57.14 -36.67 70.99 Favored 'General case' 0 N--CA 1.473 0.683 0 C-N-CA 123.891 0.876 . . . . 0.0 112.97 178.152 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 10' ' ' HIS . . . . . . . . . . . . . 31.2 m170 -64.97 -34.52 78.62 Favored 'General case' 0 N--CA 1.472 0.668 0 C-N-CA 123.539 0.736 . . . . 0.0 112.464 178.548 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 31.6 tp -71.03 -40.08 71.95 Favored 'General case' 0 CA--C 1.539 0.522 0 C-N-CA 124.08 0.952 . . . . 0.0 111.945 176.161 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 77.6 t -66.06 -43.29 92.47 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.746 0 C-N-CA 123.711 0.804 . . . . 0.0 111.135 174.176 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 44.7 mt-10 -64.06 -42.45 97.0 Favored 'General case' 0 N--CA 1.47 0.546 0 O-C-N 121.541 -0.725 . . . . 0.0 112.106 175.814 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -63.4 -39.27 94.04 Favored 'General case' 0 CA--C 1.543 0.676 0 O-C-N 121.315 -0.865 . . . . 0.0 113.136 -179.09 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 3.9 pp -77.17 -30.62 55.03 Favored 'General case' 0 N--CA 1.47 0.53 0 O-C-N 121.726 -0.609 . . . . 0.0 112.099 177.138 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 16' ' ' TYR . . . . . . . . . . . . . 1.8 t80 -63.93 -41.86 97.53 Favored 'General case' 0 CA--C 1.539 0.553 0 C-N-CA 123.544 0.738 . . . . 0.0 111.563 170.333 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 36.2 mt -69.02 -44.1 73.44 Favored 'General case' 0 N--CA 1.467 0.375 0 C-N-CA 124.066 0.946 . . . . 0.0 112.308 -177.373 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 18' ' ' VAL . . . . . . . . . . . . . 5.6 p -72.8 -30.48 33.1 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.75 0 N-CA-C 112.307 0.484 . . . . 0.0 112.307 179.61 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 19' ' ' CYS . . . . . . . . . . . . . 9.2 t -81.66 -29.04 33.27 Favored 'General case' 0 CA--C 1.542 0.646 0 N-CA-C 113.312 0.856 . . . . 0.0 113.312 177.405 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . 77.44 9.64 86.72 Favored Glycine 0 CA--C 1.539 1.543 0 C-N-CA 124.996 1.284 . . . . 0.0 114.208 -173.064 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 8.7 tp10 -155.19 154.25 31.97 Favored 'General case' 0 CA--C 1.542 0.654 0 C-N-CA 126.907 2.083 . . . . 0.0 109.521 -177.477 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 22' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -72.19 -3.67 24.77 Favored 'General case' 0 N--CA 1.475 0.815 0 N-CA-C 114.944 1.461 . . . . 0.0 114.944 -176.063 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . 74.59 -160.69 53.16 Favored Glycine 0 CA--C 1.529 0.936 0 C-N-CA 125.411 1.481 . . . . 0.0 115.164 172.299 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 24' ' ' DHI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' B' B ' 25' ' ' PHE . . . . . . . . . . . . . 40.4 m-85 -80.54 173.14 12.89 Favored 'General case' 0 CA--C 1.543 0.687 0 C-N-CA 125.435 1.494 . . . . 0.0 112.665 -177.714 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 26' ' ' TYR . . . . . . . . . . . . . 65.3 m-85 -62.2 152.42 33.32 Favored 'General case' 0 CA--C 1.542 0.665 0 C-N-CA 124.214 1.006 . . . . 0.0 113.161 179.839 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 27' ' ' THR . . . . . . . . . . . . . 3.2 m -65.24 -41.54 53.05 Favored Pre-proline 0 N--CA 1.478 0.944 0 N-CA-C 115.265 1.58 . . . . 0.0 115.265 -175.003 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 28' ' ' PRO . . . . . . . . . . . . . 51.4 Cg_exo -65.99 149.15 86.32 Favored 'Trans proline' 0 C--N 1.354 0.839 0 C-N-CA 122.726 2.284 . . . . 0.0 114.841 -173.992 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 9.6 mtmp? -141.77 152.77 44.07 Favored 'General case' 0 N--CA 1.473 0.721 0 C-N-CA 127.013 2.125 . . . . 0.0 109.632 172.007 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 30' ' ' THR . . . . . . . . . . . . . 23.3 p . . . . . 0 C--O 1.252 1.194 0 C-N-CA 128.673 2.789 . . . . 0.0 113.766 -4.667 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.642 0 N-CA-C 112.039 -0.425 . . . . 0.0 112.039 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 9.8 tt -54.98 -40.07 52.11 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.06 0 C-N-CA 125.501 1.52 . . . . 0.0 114.393 -175.009 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 15.7 t -57.97 -51.37 71.42 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.923 0 C-N-CA 123.915 0.886 . . . . 0.0 111.403 -165.884 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 12.4 pt-20 -92.36 19.63 6.93 Favored 'General case' 0 N--CA 1.477 0.878 0 C-N-CA 125.438 1.495 . . . . 0.0 113.628 178.13 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 20.7 mm-40 -120.13 -18.73 8.0 Favored 'General case' 0 N--CA 1.472 0.634 0 C-N-CA 124.887 1.275 . . . . 0.0 112.745 170.017 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 56.1 m -115.95 -29.36 6.37 Favored 'General case' 0 CA--C 1.54 0.57 0 C-N-CA 126.707 2.003 . . . . 0.0 112.357 175.162 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 2.3 t -100.95 170.82 8.03 Favored 'General case' 0 CA--C 1.542 0.643 0 N-CA-C 107.831 -1.174 . . . . 0.0 107.831 155.144 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER 60.65 -33.08 0.07 Allowed 'General case' 0 N--CA 1.484 1.24 0 C-N-CA 127.812 2.445 . . . . 0.0 115.446 -163.644 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 22.7 m -147.49 160.87 42.12 Favored 'General case' 0 N--CA 1.469 0.521 0 C-N-CA 127.396 2.278 . . . . 0.0 111.057 171.807 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 68.4 mt -70.59 145.22 12.94 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.796 0 C-N-CA 125.276 1.43 . . . . 0.0 111.887 -178.337 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 15.3 p -127.67 174.56 8.99 Favored 'General case' 0 CA--C 1.544 0.724 0 C-N-CA 124.959 1.303 . . . . 0.0 112.442 166.896 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 66.9 m -123.34 166.37 15.43 Favored 'General case' 0 N--CA 1.472 0.665 0 C-N-CA 125.913 1.685 . . . . 0.0 112.022 -176.987 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 2.4 pt? -52.87 -33.71 51.19 Favored 'General case' 0 N--CA 1.471 0.619 0 C-N-CA 123.916 0.887 . . . . 0.0 113.331 174.116 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 28.6 m-85 -60.02 -26.91 66.46 Favored 'General case' 0 CA--C 1.542 0.644 0 C-N-CA 124.992 1.317 . . . . 0.0 113.561 177.266 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 29.6 mm100 -88.98 -46.75 8.64 Favored 'General case' 0 N--CA 1.468 0.46 0 C-N-CA 124.489 1.116 . . . . 0.0 111.41 171.703 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 52.4 mt -61.53 -34.93 76.36 Favored 'General case' 0 CA--C 1.544 0.736 0 C-N-CA 123.698 0.799 . . . . 0.0 113.061 -176.857 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 36.4 mt-10 -69.82 -10.75 59.61 Favored 'General case' 0 CA--C 1.547 0.828 0 C-N-CA 125.166 1.386 . . . . 0.0 114.312 174.112 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 80.3 m-20 -92.83 -34.65 13.76 Favored 'General case' 0 CA--C 1.543 0.682 0 C-N-CA 124.139 0.976 . . . . 0.0 112.397 170.711 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 33.0 m-85 -74.21 -24.99 59.41 Favored 'General case' 0 N--CA 1.474 0.735 0 N-CA-C 113.602 0.964 . . . . 0.0 113.602 -174.555 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 24.9 p -68.73 -26.43 65.25 Favored 'General case' 0 CA--C 1.544 0.719 0 C-N-CA 124.619 1.168 . . . . 0.0 114.09 173.996 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 CA--C 1.545 0.779 0 C-N-CA 127.715 2.406 . . . . 0.0 113.723 -178.562 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 1' ' ' PHE . . . . . . . . . . . . . 70.0 t80 . . . . . 0 CA--C 1.543 0.689 0 N-CA-C 112.352 0.501 . . . . 0.0 112.352 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' B' B ' 2' ' ' VAL . . . . . . . . . . . . . 50.8 t -135.52 128.35 47.6 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.84 0 C-N-CA 125.564 1.546 . . . . 0.0 108.924 172.591 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 3' ' ' ASN . . . . . . . . . . . . . 26.0 m120 -60.05 139.55 57.39 Favored 'General case' 0 CA--C 1.535 0.39 0 CA-C-O 121.71 0.767 . . . . 0.0 112.878 -178.801 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 4' ' ' GLN . . . . . . . . . . . . . 6.5 pt20 -167.34 157.99 11.37 Favored 'General case' 0 CA--C 1.536 0.408 0 C-N-CA 126.668 1.987 . . . . 0.0 109.042 179.428 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 5' ' ' HIS . . . . . . . . . . . . . 39.4 m-70 -67.5 137.48 55.84 Favored 'General case' 0 N--CA 1.468 0.453 0 C-N-CA 123.061 0.545 . . . . 0.0 110.011 163.859 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 71.9 mt -133.86 124.61 26.77 Favored 'General case' 0 N--CA 1.465 0.324 0 C-N-CA 125.697 1.599 . . . . 0.0 109.823 -176.16 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 7' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -140.8 153.47 45.84 Favored 'General case' 0 CA--C 1.54 0.592 0 C-N-CA 124.015 0.926 . . . . 0.0 111.924 -169.972 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 8' ' ' GLY . . . . . . . . . . . . . . . 52.63 -132.16 39.7 Favored Glycine 0 CA--C 1.536 1.377 0 C-N-CA 124.039 0.828 . . . . 0.0 113.907 174.65 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 9' ' ' SER . . . . . . . . . . . . . 25.4 m -61.12 -33.06 72.79 Favored 'General case' 0 N--CA 1.474 0.744 0 O-C-N 121.74 -0.859 . . . . 0.0 113.224 177.896 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 10' ' ' HIS . . . . . . . . . . . . . 30.5 m170 -65.94 -32.99 74.8 Favored 'General case' 0 N--CA 1.473 0.706 0 C-N-CA 123.661 0.785 . . . . 0.0 112.334 178.168 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 54.2 tp -67.5 -44.44 78.47 Favored 'General case' 0 CA--C 1.537 0.466 0 C-N-CA 124.157 0.983 . . . . 0.0 111.917 174.452 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 63.2 t -65.19 -41.79 92.55 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.724 0 C-N-CA 124.028 0.931 . . . . 0.0 110.929 177.511 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 21.9 mm-40 -65.75 -45.61 81.94 Favored 'General case' 0 N--CA 1.468 0.435 0 O-C-N 121.64 -0.663 . . . . 0.0 111.991 174.834 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -63.14 -40.05 96.46 Favored 'General case' 0 CA--C 1.538 0.512 0 O-C-N 121.359 -0.838 . . . . 0.0 113.095 -176.794 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 3.8 pp -73.18 -34.66 66.12 Favored 'General case' 0 N--CA 1.469 0.509 0 CA-C-N 118.768 0.713 . . . . 0.0 111.791 177.758 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 16' ' ' TYR . . . . . . . . . . . . . 0.6 OUTLIER -61.75 -46.61 88.85 Favored 'General case' 0 CA--C 1.536 0.411 0 C-N-CA 123.194 0.598 . . . . 0.0 110.839 171.867 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 43.9 mt -68.05 -41.35 82.16 Favored 'General case' 0 CA--C 1.536 0.407 0 C-N-CA 124.125 0.97 . . . . 0.0 112.738 -175.74 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 18' ' ' VAL . . . . . . . . . . . . . 4.3 p -77.96 -28.12 15.23 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.744 0 N-CA-C 112.842 0.682 . . . . 0.0 112.842 -177.362 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 19' ' ' CYS . . . . . . . . . . . . . 47.2 t -99.11 -33.81 10.64 Favored 'General case' 0 CA--C 1.541 0.606 0 N-CA-C 114.52 1.304 . . . . 0.0 114.52 -176.198 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . 78.95 19.57 72.45 Favored Glycine 0 CA--C 1.539 1.555 0 C-N-CA 124.655 1.121 . . . . 0.0 114.19 -170.785 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 4.0 tp10 -145.0 135.4 24.2 Favored 'General case' 0 N--CA 1.472 0.639 0 C-N-CA 126.208 1.803 . . . . 0.0 109.887 -173.472 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 22' ' ' ARG . . . . . . . . . . . . . 6.4 ptm180 -76.27 -27.41 56.67 Favored 'General case' 0 N--CA 1.481 1.111 0 C-N-CA 130.188 3.395 . . . . 0.0 115.349 -0.494 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . 61.3 -154.69 37.2 Favored Glycine 0 CA--C 1.535 1.302 0 C-N-CA 123.745 0.688 . . . . 0.0 114.143 -176.26 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 24' ' ' DHI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' B' B ' 25' ' ' PHE . . . . . . . . . . . . . 17.8 m-85 -107.96 146.29 32.65 Favored 'General case' 0 CA--C 1.539 0.546 0 C-N-CA 125.544 1.537 . . . . 0.0 112.532 -173.806 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 26' ' ' TYR . . . . . . . . . . . . . 27.7 m-85 -130.2 158.22 40.31 Favored 'General case' 0 N--CA 1.473 0.703 0 C-N-CA 125.13 1.372 . . . . 0.0 112.406 -176.04 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 27' ' ' THR . . . . . . . . . . . . . 21.7 p -109.5 114.92 56.73 Favored Pre-proline 0 N--CA 1.475 0.797 0 C-N-CA 124.964 1.305 . . . . 0.0 110.933 173.024 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 28' ' ' PRO . . . . . . . . . . . . . 76.0 Cg_exo -57.57 132.63 51.56 Favored 'Trans proline' 0 CA--C 1.539 0.728 0 C-N-CA 123.07 2.514 . . . . 0.0 112.676 174.423 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 9.4 ptpp? -153.83 160.82 42.35 Favored 'General case' 0 N--CA 1.475 0.788 0 C-N-CA 125.729 1.612 . . . . 0.0 111.996 -176.545 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 30' ' ' THR . . . . . . . . . . . . . 20.1 p . . . . . 0 C--O 1.253 1.269 0 C-N-CA 125.943 1.697 . . . . 0.0 113.231 177.857 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.484 1.839 0 N-CA-C 112.326 -0.31 . . . . 0.0 112.326 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 15.0 tt -57.16 -36.21 50.86 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.172 0 C-N-CA 124.844 1.258 . . . . 0.0 114.078 -174.667 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 3.9 p -56.17 -38.0 52.16 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.932 0 C-N-CA 124.302 1.041 . . . . 0.0 112.35 175.365 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 34.0 mt-10 -78.32 -2.94 40.54 Favored 'General case' 0 N--CA 1.476 0.849 0 C-N-CA 125.473 1.509 . . . . 0.0 114.182 177.051 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 16.8 tp60 -105.69 -30.11 9.66 Favored 'General case' 0 CA--C 1.54 0.594 0 C-N-CA 125.171 1.388 . . . . 0.0 112.492 170.351 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -126.51 -12.16 6.16 Favored 'General case' 0 CA--C 1.547 0.846 0 N-CA-C 116.538 2.051 . . . . 0.0 116.538 -167.465 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 48.5 t -102.04 -30.28 11.28 Favored 'General case' 0 N--CA 1.476 0.863 0 CA-C-N 119.766 1.166 . . . . 0.0 112.13 172.575 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 30.8 p -70.81 -38.6 73.31 Favored 'General case' 0 N--CA 1.474 0.765 0 C-N-CA 125.932 1.693 . . . . 0.0 112.386 175.124 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 75.6 m -146.46 168.24 21.66 Favored 'General case' 0 N--CA 1.468 0.425 0 C-N-CA 128.335 2.654 . . . . 0.0 109.746 177.384 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 71.6 mt -61.21 140.75 18.4 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.774 0 C-N-CA 123.529 0.732 . . . . 0.0 110.396 172.149 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 4.9 p -121.89 153.65 38.15 Favored 'General case' 0 CA--C 1.54 0.565 0 C-N-CA 123.627 0.771 . . . . 0.0 112.059 164.37 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 50.4 m -92.59 156.62 16.99 Favored 'General case' 0 N--CA 1.47 0.566 0 C-N-CA 124.44 1.096 . . . . 0.0 110.581 172.264 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 1.8 pp -58.52 -31.85 68.29 Favored 'General case' 0 N--CA 1.471 0.587 0 O-C-N 121.526 -0.734 . . . . 0.0 112.627 -178.3 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 41.4 m-85 -65.57 -24.39 67.08 Favored 'General case' 0 CA--C 1.542 0.668 0 C-N-CA 124.848 1.259 . . . . 0.0 113.729 178.094 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 39.2 mt-30 -85.49 -41.63 15.17 Favored 'General case' 0 N--CA 1.47 0.565 0 C-N-CA 125.111 1.365 . . . . 0.0 111.022 171.398 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . 0.258 0.1 OUTLIER -67.67 -26.17 66.07 Favored 'General case' 0 CA--C 1.557 1.22 0 C-N-CA 124.088 0.955 . . . . 0.0 111.501 178.697 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 31.8 mt-10 -64.83 -20.85 66.62 Favored 'General case' 0 N--CA 1.474 0.731 0 O-C-N 120.125 -1.609 . . . . 0.0 114.329 167.84 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 89.7 m-20 -63.24 -27.99 69.73 Favored 'General case' 0 N--CA 1.473 0.719 0 CA-C-N 120.68 1.582 . . . . 0.0 111.514 175.32 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 40.7 m-85 -80.78 -18.05 48.9 Favored 'General case' 0 CA--C 1.543 0.685 0 C-N-CA 124.258 1.023 . . . . 0.0 113.694 174.425 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 45.9 t -77.63 -44.68 27.44 Favored 'General case' 0 CA--C 1.544 0.741 0 C-N-CA 124.354 1.061 . . . . 0.0 111.411 166.366 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 51.6 t-20 . . . . . 0 CA--C 1.542 0.639 0 C-N-CA 125.218 1.407 . . . . 0.0 111.352 178.923 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' B' B ' 1' ' ' PHE . . . . . . . . . . . . . 24.2 t80 . . . . . 0 CA--C 1.541 0.609 0 CA-C-O 120.883 0.373 . . . . 0.0 111.997 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' B' B ' 2' ' ' VAL . . . . . . . . . . . . . 7.3 p -148.12 140.63 18.56 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.784 0 C-N-CA 124.686 1.194 . . . . 0.0 110.538 166.7 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 3' ' ' ASN . . . . . . . . . . . . . 25.2 m-20 -68.66 142.56 55.04 Favored 'General case' 0 N--CA 1.449 -0.486 0 CA-C-O 122.186 0.994 . . . . 0.0 113.344 -172.108 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 4' ' ' GLN . . . . . . . . . . . . . 5.9 pt20 -167.88 170.25 10.82 Favored 'General case' 0 CA--C 1.539 0.52 0 C-N-CA 127.653 2.381 . . . . 0.0 107.956 179.812 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 5' ' ' HIS . . . . . . . . . . . . . 15.9 m-70 -76.35 129.7 36.99 Favored 'General case' 0 CA--C 1.541 0.624 0 C-N-CA 124.052 0.941 . . . . 0.0 109.862 164.224 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 3.2 mm? -116.63 141.78 47.75 Favored 'General case' 0 N--CA 1.468 0.433 0 C-N-CA 125.392 1.477 . . . . 0.0 110.523 173.081 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 7' ' ' CYS . . . . . . . . . . . . . 0.9 OUTLIER -150.12 155.79 40.47 Favored 'General case' 0 CA--C 1.54 0.578 0 N-CA-C 112.952 0.723 . . . . 0.0 112.952 -177.234 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 8' ' ' GLY . . . . . . . . . . . . . . . 54.22 -133.59 45.59 Favored Glycine 0 CA--C 1.534 1.243 0 C-N-CA 124.254 0.931 . . . . 0.0 113.636 174.781 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 9' ' ' SER . . . . . . . . . . . . . 19.4 m -56.87 -35.9 69.45 Favored 'General case' 0 N--CA 1.473 0.681 0 C-N-CA 123.977 0.911 . . . . 0.0 112.929 177.595 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 10' ' ' HIS . . . . . . . . . . . . . 28.9 m170 -67.01 -28.8 68.54 Favored 'General case' 0 N--CA 1.472 0.662 0 C-N-CA 123.467 0.707 . . . . 0.0 112.627 177.757 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 34.3 tp -77.0 -36.8 56.14 Favored 'General case' 0 CA--C 1.538 0.503 0 C-N-CA 124.073 0.949 . . . . 0.0 112.163 175.066 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 79.6 t -64.46 -41.89 93.63 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.795 0 C-N-CA 123.559 0.744 . . . . 0.0 110.506 171.281 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 45.2 mt-10 -64.37 -42.33 96.24 Favored 'General case' 0 N--CA 1.469 0.496 0 O-C-N 121.582 -0.699 . . . . 0.0 112.015 173.132 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -61.18 -38.82 87.86 Favored 'General case' 0 CA--C 1.541 0.617 0 CA-C-N 119.262 0.937 . . . . 0.0 112.939 178.385 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 15' ' ' LEU . . . . . . . . . . . . 0.252 2.8 pp -78.9 -30.0 44.64 Favored 'General case' 0 N--CA 1.467 0.418 0 N-CA-C 112.704 0.631 . . . . 0.0 112.704 178.409 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 16' ' ' TYR . . . . . . . . . . . . . 1.2 t80 -61.15 -46.44 90.52 Favored 'General case' 0 CA--C 1.539 0.538 0 C-N-CA 123.143 0.577 . . . . 0.0 111.059 166.484 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 42.3 mt -68.39 -42.55 78.92 Favored 'General case' 0 CA--C 1.536 0.415 0 C-N-CA 124.029 0.932 . . . . 0.0 112.67 -175.379 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 18' ' ' VAL . . . . . . . . . . . . . 1.9 p -73.73 -30.43 28.9 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.842 0 N-CA-C 112.552 0.575 . . . . 0.0 112.552 -179.622 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 19' ' ' CYS . . . . . . . . . . . . . 7.8 t -93.04 -30.76 15.14 Favored 'General case' 0 CA--C 1.542 0.64 0 C-N-CA 124.562 1.145 . . . . 0.0 113.883 -175.209 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . 77.45 9.52 86.79 Favored Glycine 0 CA--C 1.537 1.466 0 C-N-CA 125.151 1.358 . . . . 0.0 115.065 -175.927 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 38.9 tt0 -98.41 125.29 43.52 Favored 'General case' 0 N--CA 1.473 0.679 0 CA-C-N 118.971 1.386 . . . . 0.0 112.016 -175.742 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 22' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -86.26 14.6 6.25 Favored 'General case' 0 N--CA 1.479 0.991 0 C-N-CA 125.365 1.466 . . . . 0.0 114.262 -170.594 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . -64.64 -32.51 84.44 Favored Glycine 0 CA--C 1.536 1.36 0 C-N-CA 124.546 1.069 . . . . 0.0 114.877 -174.333 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 24' ' ' DHI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' B' B ' 25' ' ' PHE . . . . . . . . . . . . . 37.9 m-85 -72.11 147.82 46.33 Favored 'General case' 0 CA--C 1.541 0.63 0 N-CA-C 113.868 1.062 . . . . 0.0 113.868 -169.631 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 26' ' ' TYR . . . . . . . . . . . . . 60.7 m-85 -110.96 166.54 10.96 Favored 'General case' 0 N--CA 1.472 0.666 0 C-N-CA 126.011 1.724 . . . . 0.0 111.816 174.289 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 27' ' ' THR . . . . . . . . . . . . . 28.4 p -73.79 -33.54 1.84 Allowed Pre-proline 0 N--CA 1.478 0.928 0 N-CA-C 117.524 2.416 . . . . 0.0 117.524 -177.398 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 28' ' ' PRO . . . . . . . . . . . . . 96.6 Cg_endo -79.38 160.85 25.8 Favored 'Trans proline' 0 C--N 1.354 0.846 0 C-N-CA 122.574 2.183 . . . . 0.0 112.84 -179.731 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -143.09 168.08 20.56 Favored 'General case' 0 N--CA 1.476 0.828 0 C-N-CA 125.998 1.719 . . . . 0.0 112.122 177.331 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 30' ' ' THR . . . . . . . . . . . . . 11.5 m . . . . . 0 N--CA 1.486 1.333 0 C-N-CA 127.266 2.227 . . . . 0.0 112.703 -175.084 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.669 0 N-CA-C 112.411 -0.276 . . . . 0.0 112.411 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 11.7 tt -56.19 -39.13 57.5 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.162 0 C-N-CA 125.19 1.396 . . . . 0.0 114.076 -174.233 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 7.3 p -57.44 -36.52 53.51 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.932 0 C-N-CA 124.206 1.002 . . . . 0.0 112.258 178.62 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 34.5 mt-10 -75.83 0.1 19.27 Favored 'General case' 0 N--CA 1.475 0.776 0 C-N-CA 126.625 1.97 . . . . 0.0 114.363 177.798 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 18.9 tp60 -114.73 -36.19 4.6 Favored 'General case' 0 CA--C 1.54 0.575 0 C-N-CA 124.981 1.312 . . . . 0.0 112.189 166.289 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 73.4 m -108.01 -16.3 14.32 Favored 'General case' 0 CA--C 1.538 0.493 0 N-CA-C 115.726 1.75 . . . . 0.0 115.726 -167.429 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 37.3 t -100.13 -24.74 14.5 Favored 'General case' 0 N--CA 1.475 0.796 0 CA-C-N 119.8 1.182 . . . . 0.0 111.682 169.112 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 46.0 p -78.67 -28.23 45.28 Favored 'General case' 0 N--CA 1.474 0.774 0 C-N-CA 126.322 1.849 . . . . 0.0 113.01 174.684 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 8.2 t -150.83 173.89 13.72 Favored 'General case' 0 CA--C 1.538 0.491 0 C-N-CA 126.792 2.037 . . . . 0.0 110.74 178.156 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 45.6 mt -67.35 141.96 17.18 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.594 0 C-N-CA 124.345 1.058 . . . . 0.0 111.297 179.059 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 21.8 m -123.12 138.16 54.73 Favored 'General case' 0 CA--C 1.538 0.483 0 C-N-CA 124.274 1.03 . . . . 0.0 111.776 166.922 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 69.3 m -94.06 161.98 14.06 Favored 'General case' 0 N--CA 1.469 0.488 0 C-N-CA 125.098 1.359 . . . . 0.0 111.147 172.316 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 1.9 pp -57.2 -36.0 70.31 Favored 'General case' 0 CA--C 1.543 0.703 0 C-N-CA 123.604 0.762 . . . . 0.0 112.336 -176.59 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 43.6 m-85 -66.34 -26.82 67.47 Favored 'General case' 0 CA--C 1.539 0.55 0 C-N-CA 125.336 1.454 . . . . 0.0 113.376 178.345 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 44.0 mt-30 -80.05 -45.36 18.45 Favored 'General case' 0 N--CA 1.467 0.415 0 C-N-CA 124.169 0.988 . . . . 0.0 110.288 173.825 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 96.8 mt -60.6 -33.26 72.48 Favored 'General case' 0 CA--C 1.543 0.698 0 C-N-CA 124.141 0.976 . . . . 0.0 113.091 179.455 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 38.0 mt-10 -56.98 -36.87 70.84 Favored 'General case' 0 N--CA 1.477 0.918 0 N-CA-C 113.352 0.871 . . . . 0.0 113.352 172.88 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 86.2 m-20 -66.77 -25.74 66.63 Favored 'General case' 0 CA--C 1.541 0.608 0 O-C-N 121.566 -0.709 . . . . 0.0 112.412 -176.224 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 96.9 m-85 -79.95 -10.27 59.76 Favored 'General case' 0 CA--C 1.541 0.613 0 C-N-CA 124.706 1.202 . . . . 0.0 113.828 178.056 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 13.0 t -74.83 -25.45 59.01 Favored 'General case' 0 CA--C 1.545 0.767 0 O-C-N 121.463 -0.773 . . . . 0.0 112.705 173.194 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 25.4 t-20 . . . . . 0 CA--C 1.544 0.722 0 C-N-CA 124.732 1.213 . . . . 0.0 112.352 179.681 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' B' B ' 1' ' ' PHE . . . . . . . . . . . . . 49.5 t80 . . . . . 0 CA--C 1.54 0.589 0 N-CA-C 112.272 0.471 . . . . 0.0 112.272 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' B' B ' 2' ' ' VAL . . . . . . . . . . . . . 47.9 t -136.24 131.95 49.19 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.777 0 C-N-CA 125.692 1.597 . . . . 0.0 108.24 168.035 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 3' ' ' ASN . . . . . . . . . . . . . 3.4 p-10 -61.78 146.86 48.18 Favored 'General case' 0 N--CA 1.467 0.398 0 CA-C-O 122.308 1.052 . . . . 0.0 113.702 179.998 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 4' ' ' GLN . . . . . . . . . . . . . 22.5 pt20 -168.24 173.48 7.78 Favored 'General case' 0 CA--C 1.538 0.508 0 C-N-CA 127.226 2.211 . . . . 0.0 108.574 178.428 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 5' ' ' HIS . . . . . . . . . . . . . 10.1 m-70 -73.99 134.29 43.06 Favored 'General case' 0 C--N 1.32 -0.696 0 C-N-CA 125.162 1.385 . . . . 0.0 109.627 160.097 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 3.2 mm? -119.14 142.39 47.98 Favored 'General case' 0 CA--C 1.538 0.49 0 C-N-CA 125.927 1.691 . . . . 0.0 110.615 174.915 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 7' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -146.7 158.16 43.85 Favored 'General case' 0 CA--C 1.541 0.617 0 N-CA-C 112.86 0.689 . . . . 0.0 112.86 -177.147 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 8' ' ' GLY . . . . . . . . . . . . . . . 54.37 -136.54 43.21 Favored Glycine 0 CA--C 1.534 1.22 0 C-N-CA 124.38 0.99 . . . . 0.0 113.746 175.412 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 9' ' ' SER . . . . . . . . . . . . . 22.7 m -59.96 -31.92 70.33 Favored 'General case' 0 N--CA 1.473 0.678 0 C-N-CA 123.822 0.849 . . . . 0.0 113.088 177.771 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 10' ' ' HIS . . . . . . . . . . . . . 29.5 m-70 -68.42 -30.94 69.95 Favored 'General case' 0 N--CA 1.473 0.679 0 O-C-N 121.497 -0.752 . . . . 0.0 112.233 178.829 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 57.9 tp -69.18 -41.57 77.0 Favored 'General case' 0 CA--C 1.538 0.481 0 C-N-CA 123.971 0.908 . . . . 0.0 111.912 173.56 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 59.8 t -66.52 -40.8 87.3 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.767 0 C-N-CA 123.88 0.872 . . . . 0.0 111.009 175.607 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 38.9 mt-10 -67.75 -42.48 81.74 Favored 'General case' 0 CA--C 1.536 0.424 0 O-C-N 121.366 -0.834 . . . . 0.0 112.242 175.477 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -63.02 -38.13 89.95 Favored 'General case' 0 CA--C 1.541 0.632 0 CA-C-N 119.389 0.995 . . . . 0.0 113.148 -177.739 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 15' ' ' LEU . . . . . 0.402 ' HA ' HG12 ' B' ' 18' ' ' VAL . 3.1 pp -76.81 -33.14 58.0 Favored 'General case' 0 N--CA 1.471 0.589 0 O-C-N 121.686 -0.634 . . . . 0.0 111.88 177.728 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 16' ' ' TYR . . . . . . . . . . . . . 2.4 t80 -64.55 -41.26 96.45 Favored 'General case' 0 CA--C 1.54 0.594 0 C-N-CA 123.706 0.802 . . . . 0.0 111.293 172.059 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 37.8 mt -69.55 -44.09 71.62 Favored 'General case' 0 N--CA 1.467 0.422 0 C-N-CA 124.31 1.044 . . . . 0.0 112.169 -178.132 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 18' ' ' VAL . . . . . 0.402 HG12 ' HA ' ' B' ' 15' ' ' LEU . 6.0 p -71.86 -32.15 43.56 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.721 0 N-CA-C 111.94 0.348 . . . . 0.0 111.94 179.176 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 19' ' ' CYS . . . . . . . . . . . . . 15.4 t -76.47 -31.27 57.69 Favored 'General case' 0 CA--C 1.537 0.452 0 C-N-CA 123.247 0.619 . . . . 0.0 112.231 175.917 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . 73.09 3.85 61.72 Favored Glycine 0 CA--C 1.536 1.37 0 C-N-CA 125.756 1.646 . . . . 0.0 115.078 176.969 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 2.3 tp10 51.26 42.15 28.65 Favored 'General case' 0 CA--C 1.552 1.035 0 C-N-CA 126.095 1.758 . . . . 0.0 114.304 178.414 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 22' ' ' ARG . . . . . . . . . . . . . 7.1 mpt_? -67.37 -18.66 65.22 Favored 'General case' 0 N--CA 1.479 1.008 0 N-CA-C 114.682 1.364 . . . . 0.0 114.682 -179.067 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . -174.51 -169.36 36.45 Favored Glycine 0 CA--C 1.534 1.25 0 C-N-CA 124.55 1.071 . . . . 0.0 113.655 -177.77 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 24' ' ' DHI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' B' B ' 25' ' ' PHE . . . . . . . . . . . . . 67.2 m-85 -70.03 153.53 43.08 Favored 'General case' 0 CA--C 1.541 0.601 0 C-N-CA 124.821 1.248 . . . . 0.0 112.994 -179.763 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 26' ' ' TYR . . . . . . . . . . . . . 68.1 m-85 -75.56 157.66 33.57 Favored 'General case' 0 CA--C 1.543 0.673 0 C-N-CA 124.262 1.025 . . . . 0.0 112.592 176.949 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 27' ' ' THR . . . . . . . . . . . . . 4.9 m -65.32 -40.04 40.06 Favored Pre-proline 0 N--CA 1.479 1.023 0 N-CA-C 115.077 1.51 . . . . 0.0 115.077 -176.866 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 28' ' ' PRO . . . . . . . . . . . . . 52.1 Cg_exo -64.56 151.68 84.65 Favored 'Trans proline' 0 C--N 1.354 0.834 0 C-N-CA 123.066 2.511 . . . . 0.0 114.239 -178.536 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 62.9 tttp -143.39 144.7 32.16 Favored 'General case' 0 N--CA 1.474 0.761 0 C-N-CA 125.854 1.662 . . . . 0.0 111.119 178.585 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 30' ' ' THR . . . . . . . . . . . . . 35.6 m . . . . . 0 C--O 1.253 1.273 0 C-N-CA 126.136 1.774 . . . . 0.0 110.975 -177.76 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.479 1.537 0 N-CA-C 111.271 -0.732 . . . . 0.0 111.271 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 4.6 tp -46.01 -53.16 2.54 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.062 0 C-N-CA 126.797 2.039 . . . . 0.0 114.6 -171.429 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 7.3 p -66.72 -43.61 89.97 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.922 0 O-C-N 121.03 -1.044 . . . . 0.0 112.488 -178.156 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 47.4 mt-10 -78.01 8.54 4.6 Favored 'General case' 0 N--CA 1.475 0.82 0 N-CA-C 114.4 1.259 . . . . 0.0 114.4 176.955 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 54.8 mt-30 -117.22 -32.98 4.81 Favored 'General case' 0 CA--C 1.541 0.62 0 C-N-CA 125.287 1.435 . . . . 0.0 112.717 168.913 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 21.5 m -123.96 -4.32 8.05 Favored 'General case' 0 CA--C 1.543 0.687 0 N-CA-C 117.157 2.28 . . . . 0.0 117.157 -170.71 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 52.9 t -95.78 -26.68 15.57 Favored 'General case' 0 N--CA 1.475 0.806 0 CA-C-N 119.661 1.118 . . . . 0.0 111.141 159.254 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 41.6 p -80.29 -22.52 41.49 Favored 'General case' 0 N--CA 1.475 0.819 0 C-N-CA 126.698 1.999 . . . . 0.0 113.435 175.779 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 8.1 t -147.61 -175.93 5.05 Favored 'General case' 0 CA--C 1.54 0.584 0 C-N-CA 127.042 2.137 . . . . 0.0 110.154 175.776 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 35.7 mt -66.56 144.11 14.98 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.752 0 O-C-N 120.958 -1.089 . . . . 0.0 111.825 178.486 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -112.11 146.72 37.5 Favored 'General case' 0 CA--C 1.538 0.501 0 C-N-CA 123.947 0.899 . . . . 0.0 111.588 157.336 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 5.9 m -130.86 164.84 24.34 Favored 'General case' 0 N--CA 1.468 0.464 0 C-N-CA 127.457 2.303 . . . . 0.0 108.81 177.306 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 3.7 pp -58.27 -34.28 70.33 Favored 'General case' 0 N--CA 1.475 0.799 0 O-C-N 121.02 -1.05 . . . . 0.0 112.522 -179.754 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 54.4 m-85 -66.8 -24.54 66.19 Favored 'General case' 0 CA--C 1.542 0.66 0 C-N-CA 124.835 1.254 . . . . 0.0 113.589 175.786 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 38.0 mt-30 -85.84 -47.74 9.41 Favored 'General case' 0 N--CA 1.468 0.46 0 C-N-CA 125.106 1.362 . . . . 0.0 110.502 174.853 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 36.8 mt -61.7 -33.64 74.37 Favored 'General case' 0 CA--C 1.543 0.709 0 C-N-CA 124.932 1.293 . . . . 0.0 112.393 -178.853 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 76.7 mt-10 -60.43 -27.69 67.69 Favored 'General case' 0 N--CA 1.472 0.662 0 N-CA-C 113.634 0.975 . . . . 0.0 113.634 173.13 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 79.4 m-20 -67.95 -25.27 65.36 Favored 'General case' 0 CA--C 1.544 0.722 0 CA-C-N 119.695 1.134 . . . . 0.0 112.11 175.895 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 69.6 m-85 -88.65 -21.21 24.07 Favored 'General case' 0 CA--C 1.542 0.658 0 C-N-CA 124.95 1.3 . . . . 0.0 112.574 176.021 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 51.3 t -72.66 -43.51 63.05 Favored 'General case' 0 CA--C 1.544 0.712 0 C-N-CA 124.388 1.075 . . . . 0.0 111.763 165.475 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 49.1 t-20 . . . . . 0 CA--C 1.543 0.682 0 C-N-CA 125.786 1.634 . . . . 0.0 111.344 -177.949 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' B' B ' 1' ' ' PHE . . . . . . . . . . . . . 6.6 t80 . . . . . 0 CA--C 1.539 0.541 0 CA-C-O 120.952 0.406 . . . . 0.0 111.682 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' B' B ' 2' ' ' VAL . . . . . . . . . . . . . 60.5 t -117.57 128.13 74.86 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.666 0 C-N-CA 125.411 1.484 . . . . 0.0 108.036 165.768 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 3' ' ' ASN . . . . . . . . . . . . . 40.2 p-10 -56.26 148.57 18.19 Favored 'General case' 0 CA--C 1.535 0.391 0 N-CA-C 114.824 1.416 . . . . 0.0 114.824 -176.537 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 4' ' ' GLN . . . . . . . . . . . . . 6.8 pt20 -169.3 161.45 10.05 Favored 'General case' 0 CA--C 1.536 0.439 0 C-N-CA 126.764 2.026 . . . . 0.0 109.346 -172.614 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 5' ' ' HIS . . . . . 0.486 ' H ' ' CD2' ' B' ' 5' ' ' HIS . 13.6 m-70 -61.28 132.51 53.84 Favored 'General case' 0 C--N 1.322 -0.627 0 C-N-CA 125.336 1.454 . . . . 0.0 109.557 164.483 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 39.6 mt -136.35 133.55 36.94 Favored 'General case' 0 N--CA 1.472 0.661 0 C-N-CA 124.947 1.299 . . . . 0.0 110.394 -171.831 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 7' ' ' CYS . . . . . . . . . . . . . 94.2 m -135.29 148.05 49.4 Favored 'General case' 0 CA--C 1.537 0.452 0 O-C-N 121.622 -0.674 . . . . 0.0 112.761 -168.616 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 8' ' ' GLY . . . . . . . . . . . . . . . 54.44 -131.76 46.26 Favored Glycine 0 CA--C 1.534 1.221 0 C-N-CA 123.969 0.795 . . . . 0.0 112.966 177.355 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 9' ' ' SER . . . . . . . . . . . . . 24.3 m -56.15 -34.67 66.36 Favored 'General case' 0 N--CA 1.472 0.632 0 C-N-CA 124.164 0.986 . . . . 0.0 113.253 178.696 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 10' ' ' HIS . . . . . . . . . . . . . 28.4 m170 -64.78 -34.54 78.59 Favored 'General case' 0 N--CA 1.472 0.654 0 CA-C-N 119.188 0.904 . . . . 0.0 112.564 179.692 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 36.1 tp -71.96 -39.42 69.37 Favored 'General case' 0 CA--C 1.537 0.479 0 C-N-CA 123.63 0.772 . . . . 0.0 111.78 176.316 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 60.2 t -67.06 -42.78 88.88 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.712 0 C-N-CA 123.896 0.878 . . . . 0.0 110.978 175.486 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 42.9 mt-10 -62.86 -40.91 98.94 Favored 'General case' 0 N--CA 1.468 0.464 0 O-C-N 121.451 -0.781 . . . . 0.0 111.954 175.652 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -63.55 -38.71 92.18 Favored 'General case' 0 CA--C 1.543 0.689 0 N-CA-C 113.117 0.784 . . . . 0.0 113.117 179.87 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 4.6 pp -78.92 -31.29 45.17 Favored 'General case' 0 N--CA 1.47 0.547 0 O-C-N 121.68 -0.638 . . . . 0.0 111.925 176.224 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 16' ' ' TYR . . . . . . . . . . . . . 2.5 t80 -63.51 -41.54 98.5 Favored 'General case' 0 CA--C 1.541 0.598 0 O-C-N 121.404 -0.81 . . . . 0.0 111.697 172.113 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 37.9 mt -67.39 -45.03 77.41 Favored 'General case' 0 N--CA 1.467 0.394 0 C-N-CA 123.933 0.893 . . . . 0.0 112.115 -178.222 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 18' ' ' VAL . . . . . . . . . . . . . 5.4 p -73.52 -30.87 30.97 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.677 0 N-CA-C 112.286 0.476 . . . . 0.0 112.286 179.751 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 19' ' ' CYS . . . . . . . . . . . . . 8.0 t -79.69 -33.9 40.67 Favored 'General case' 0 CA--C 1.542 0.672 0 C-N-CA 123.746 0.818 . . . . 0.0 112.76 179.231 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . -83.73 5.89 76.49 Favored Glycine 0 CA--C 1.538 1.483 0 C-N-CA 125.719 1.628 . . . . 0.0 115.27 177.172 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 31.1 tt0 -65.27 143.43 57.8 Favored 'General case' 0 CA--C 1.544 0.74 0 CA-C-N 119.01 1.405 . . . . 0.0 112.556 -179.003 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 22' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -77.93 11.51 2.19 Favored 'General case' 0 N--CA 1.481 1.076 0 N-CA-C 116.003 1.853 . . . . 0.0 116.003 -174.783 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . -165.15 -175.49 35.88 Favored Glycine 0 CA--C 1.533 1.167 0 C-N-CA 125.549 1.547 . . . . 0.0 112.852 -179.359 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 24' ' ' DHI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' B' B ' 25' ' ' PHE . . . . . . . . . . . . . 44.9 m-85 -65.13 153.38 41.03 Favored 'General case' 0 CA--C 1.542 0.648 0 C-N-CA 124.904 1.282 . . . . 0.0 113.53 -173.82 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 26' ' ' TYR . . . . . . . . . . . . . 57.6 m-85 -67.95 156.11 37.96 Favored 'General case' 0 CA--C 1.539 0.552 0 C-N-CA 124.993 1.317 . . . . 0.0 112.956 -178.637 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 27' ' ' THR . . . . . . . . . . . . . 22.9 m -62.15 -53.99 53.95 Favored Pre-proline 0 N--CA 1.476 0.87 0 CA-C-O 117.861 -1.066 . . . . 0.0 112.641 175.951 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 28' ' ' PRO . . . . . . . . . . . . . 79.6 Cg_endo -70.26 142.51 45.88 Favored 'Trans proline' 0 CA--C 1.54 0.79 0 C-N-CA 122.847 2.365 . . . . 0.0 111.398 167.964 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 65.4 mttp -140.38 154.08 46.59 Favored 'General case' 0 N--CA 1.475 0.821 0 C-N-CA 126.007 1.723 . . . . 0.0 111.066 -179.979 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 30' ' ' THR . . . . . . . . . . . . . 24.2 p . . . . . 0 C--O 1.253 1.283 0 C-N-CA 126.458 1.903 . . . . 0.0 112.369 -178.232 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.603 0 N-CA-C 111.329 -0.709 . . . . 0.0 111.329 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 12.9 tt -48.52 -47.57 14.8 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.021 0 C-N-CA 125.582 1.553 . . . . 0.0 114.547 -170.66 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 7.5 p -64.05 -43.62 97.57 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.923 0 CA-C-N 119.411 1.005 . . . . 0.0 112.107 -175.751 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 47.1 mt-10 -73.54 -8.6 56.6 Favored 'General case' 0 N--CA 1.474 0.741 0 C-N-CA 124.18 0.992 . . . . 0.0 113.584 176.032 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 46.0 mt-30 -104.13 -22.04 13.48 Favored 'General case' 0 CA--C 1.543 0.685 0 C-N-CA 125.121 1.368 . . . . 0.0 113.208 176.349 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 91.6 m -107.88 -30.93 8.22 Favored 'General case' 0 CA--C 1.547 0.838 0 C-N-CA 125.486 1.514 . . . . 0.0 115.035 178.96 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 19.9 t -80.93 -32.51 34.57 Favored 'General case' 0 N--CA 1.473 0.71 0 O-C-N 120.748 -1.22 . . . . 0.0 113.076 -171.283 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 13.9 t -93.13 -23.36 18.62 Favored 'General case' 0 N--CA 1.48 1.048 0 C-N-CA 124.978 1.311 . . . . 0.0 113.8 -176.761 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 10.8 t -153.62 159.79 42.22 Favored 'General case' 0 N--CA 1.471 0.581 0 C-N-CA 126.132 1.773 . . . . 0.0 110.304 175.537 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 22.1 mt -61.59 133.35 27.36 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.754 0 C-N-CA 123.573 0.749 . . . . 0.0 111.231 -177.816 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 21.0 p -112.8 163.49 14.54 Favored 'General case' 0 CA--C 1.541 0.628 0 C-N-CA 125.287 1.435 . . . . 0.0 111.516 171.504 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 68.0 m -121.81 161.92 21.82 Favored 'General case' 0 N--CA 1.475 0.821 0 C-N-CA 123.984 0.913 . . . . 0.0 113.274 -169.163 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 2.3 pt? -54.75 -33.19 60.89 Favored 'General case' 0 N--CA 1.473 0.675 0 C-N-CA 124.113 0.965 . . . . 0.0 113.58 -179.981 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 39.6 m-85 -64.05 -25.83 68.28 Favored 'General case' 0 CA--C 1.541 0.623 0 C-N-CA 124.391 1.076 . . . . 0.0 113.01 177.003 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 40.1 mt-30 -84.71 -45.89 11.98 Favored 'General case' 0 N--CA 1.467 0.381 0 C-N-CA 124.777 1.231 . . . . 0.0 110.707 172.336 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 60.3 mt -59.06 -39.93 83.59 Favored 'General case' 0 CA--C 1.54 0.584 0 C-N-CA 123.306 0.643 . . . . 0.0 112.551 178.69 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 4.1 mm-40 -54.76 -38.58 67.37 Favored 'General case' 0 CA--C 1.543 0.711 0 C-N-CA 125.175 1.39 . . . . 0.0 112.419 172.063 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 87.7 m-20 -77.71 -33.73 52.99 Favored 'General case' 0 CA--C 1.539 0.558 0 C-N-CA 124.015 0.926 . . . . 0.0 112.186 -179.825 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 19.7 m-85 -69.75 -31.42 69.37 Favored 'General case' 0 CA--C 1.543 0.675 0 CA-C-N 118.977 0.808 . . . . 0.0 112.184 173.566 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 95.4 m -75.06 -19.64 59.9 Favored 'General case' 0 CA--C 1.545 0.756 0 N-CA-C 113.982 1.104 . . . . 0.0 113.982 174.342 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 56.0 t-20 . . . . . 0 CA--C 1.543 0.686 0 C-N-CA 124.27 1.028 . . . . 0.0 112.134 -177.463 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' B' B ' 1' ' ' PHE . . . . . . . . . . . . . 16.3 t80 . . . . . 0 CA--C 1.539 0.535 0 N-CA-C 112.295 0.48 . . . . 0.0 112.295 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' B' B ' 2' ' ' VAL . . . . . . . . . . . . . 8.4 m -128.95 128.11 66.94 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.662 0 C-N-CA 125.466 1.506 . . . . 0.0 109.262 162.34 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 3' ' ' ASN . . . . . . . . . . . . . 35.1 p-10 -75.95 165.5 24.88 Favored 'General case' 0 CA--C 1.541 0.61 0 N-CA-C 114.643 1.349 . . . . 0.0 114.643 -177.682 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 4' ' ' GLN . . . . . . . . . . . . . 8.8 pt20 -161.89 -167.9 1.79 Allowed 'General case' 0 CA--C 1.545 0.751 0 C-N-CA 129.129 2.972 . . . . 0.0 107.585 177.167 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 5' ' ' HIS . . . . . . . . . . . . . 27.4 m-70 -77.29 65.96 2.96 Favored 'General case' 0 N--CA 1.472 0.666 0 C-N-CA 126.268 1.827 . . . . 0.0 110.759 173.703 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 59.2 mt -64.63 126.99 29.65 Favored 'General case' 0 CA--C 1.535 0.366 0 C-N-CA 125.768 1.627 . . . . 0.0 112.716 -169.026 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 7' ' ' CYS . . . . . . . . . . . . . 3.4 t -151.72 158.6 43.6 Favored 'General case' 0 CA--C 1.541 0.633 0 C-N-CA 123.596 0.758 . . . . 0.0 112.095 -178.456 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 8' ' ' GLY . . . . . . . . . . . . . . . 57.37 -135.65 51.45 Favored Glycine 0 CA--C 1.535 1.328 0 C-N-CA 123.77 0.7 . . . . 0.0 113.378 178.425 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 9' ' ' SER . . . . . . . . . . . . . 36.3 p -62.25 -32.88 73.64 Favored 'General case' 0 N--CA 1.472 0.654 0 N-CA-C 113.447 0.906 . . . . 0.0 113.447 177.563 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 10' ' ' HIS . . . . . . . . . . . . . 32.0 m170 -63.68 -36.38 83.65 Favored 'General case' 0 N--CA 1.474 0.727 0 O-C-N 121.492 -0.755 . . . . 0.0 112.271 177.48 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 58.4 tp -66.04 -43.18 88.27 Favored 'General case' 0 N--CA 1.468 0.451 0 C-N-CA 124.02 0.928 . . . . 0.0 111.883 174.99 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 64.0 t -63.84 -43.7 97.93 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.684 0 C-N-CA 123.678 0.791 . . . . 0.0 110.875 176.532 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 42.5 mt-10 -65.97 -42.49 89.81 Favored 'General case' 0 N--CA 1.47 0.536 0 O-C-N 121.685 -0.634 . . . . 0.0 112.553 176.424 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -65.02 -38.39 90.74 Favored 'General case' 0 CA--C 1.539 0.521 0 O-C-N 121.272 -0.893 . . . . 0.0 113.194 -179.354 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 3.3 pp -76.24 -36.86 58.3 Favored 'General case' 0 CA--C 1.537 0.475 0 O-C-N 121.855 -0.528 . . . . 0.0 110.682 177.549 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 16' ' ' TYR . . . . . . . . . . . . . 5.2 t80 -58.77 -38.94 79.61 Favored 'General case' 0 CA--C 1.541 0.612 0 O-C-N 121.357 -0.839 . . . . 0.0 111.967 170.634 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 20.3 mt -68.84 -51.09 44.27 Favored 'General case' 0 N--CA 1.464 0.256 0 C-N-CA 123.97 0.908 . . . . 0.0 112.067 -179.866 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 18' ' ' VAL . . . . . . . . . . . . . 6.4 p -70.57 -36.9 67.76 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.534 0 N-CA-C 111.807 0.299 . . . . 0.0 111.807 -176.63 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 19' ' ' CYS . . . . . . . . . . . . . 78.0 m -87.07 -27.68 23.01 Favored 'General case' 0 CA--C 1.536 0.441 0 C-N-CA 123.895 0.878 . . . . 0.0 113.13 -176.408 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . -61.61 -28.52 69.92 Favored Glycine 0 CA--C 1.533 1.207 0 O-C-N 121.273 -0.892 . . . . 0.0 113.592 176.872 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 8.6 tp10 -64.08 -30.71 71.76 Favored 'General case' 0 N--CA 1.473 0.678 0 C-N-CA 124.455 1.102 . . . . 0.0 112.86 173.825 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 22' ' ' ARG . . . . . . . . . . . . . 6.9 mpt_? -86.08 -34.41 20.68 Favored 'General case' 0 N--CA 1.473 0.712 0 C-N-CA 125.956 1.703 . . . . 0.0 112.367 173.323 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . -73.16 -25.45 73.32 Favored Glycine 0 CA--C 1.536 1.348 0 C-N-CA 125.059 1.314 . . . . 0.0 115.11 -179.726 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 24' ' ' DHI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' B' B ' 25' ' ' PHE . . . . . . . . . . . . . 38.9 m-85 -77.07 137.96 39.26 Favored 'General case' 0 CA--C 1.538 0.497 0 C-N-CA 123.924 0.89 . . . . 0.0 111.804 -178.713 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 26' ' ' TYR . . . . . . . . . . . . . 73.4 m-85 -98.94 138.21 36.38 Favored 'General case' 0 N--CA 1.469 0.488 0 C-N-CA 124.686 1.194 . . . . 0.0 111.737 179.472 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 27' ' ' THR . . . . . . . . . . . . . 3.7 m 48.11 48.56 6.08 Favored Pre-proline 0 N--CA 1.48 1.06 0 C-N-CA 125.718 1.607 . . . . 0.0 114.094 177.074 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 28' ' ' PRO . . . . . . . . . . . . . 83.4 Cg_endo -71.77 112.69 3.44 Favored 'Trans proline' 0 C--N 1.355 0.887 0 C-N-CA 122.478 2.119 . . . . 0.0 111.955 -172.58 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 3.5 tmtp? 48.94 28.3 1.93 Allowed 'General case' 0 N--CA 1.482 1.167 0 C-N-CA 126.853 2.061 . . . . 0.0 115.05 -178.788 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 30' ' ' THR . . . . . . . . . . . . . 11.9 m . . . . . 0 C--O 1.252 1.224 0 C-N-CA 124.981 1.312 . . . . 0.0 112.343 -177.533 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.596 0 CA-C-O 121.124 0.291 . . . . 0.0 112.406 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 15.8 tt -75.31 -41.78 43.52 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.891 0 C-N-CA 124.707 1.203 . . . . 0.0 114.138 -172.904 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 14.4 t -62.79 -49.75 82.44 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.006 0 C-N-CA 123.979 0.912 . . . . 0.0 111.365 -172.048 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 16.4 pt-20 -64.66 -21.86 66.83 Favored 'General case' 0 CA--C 1.547 0.828 0 N-CA-C 113.941 1.089 . . . . 0.0 113.941 176.93 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 65.3 mm-40 -87.72 -33.8 18.6 Favored 'General case' 0 N--CA 1.469 0.491 0 C-N-CA 124.366 1.067 . . . . 0.0 112.891 177.266 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 96.6 m -110.62 -29.61 7.96 Favored 'General case' 0 CA--C 1.543 0.682 0 N-CA-C 114.879 1.437 . . . . 0.0 114.879 -170.828 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 20.6 t -88.2 -35.27 17.44 Favored 'General case' 0 N--CA 1.474 0.741 0 CA-C-N 119.546 1.066 . . . . 0.0 113.024 -171.653 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 12.0 t -107.89 -13.06 15.07 Favored 'General case' 0 N--CA 1.482 1.134 0 C-N-CA 125.575 1.55 . . . . 0.0 113.422 179.987 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 72.1 m -136.05 165.39 25.81 Favored 'General case' 0 N--CA 1.471 0.601 0 C-N-CA 127.155 2.182 . . . . 0.0 110.107 175.694 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 52.5 mt -81.34 136.08 23.8 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.708 0 O-C-N 121.329 -0.857 . . . . 0.0 110.041 174.12 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 19.4 p -121.8 169.03 11.16 Favored 'General case' 0 CA--C 1.543 0.683 0 C-N-CA 125.402 1.481 . . . . 0.0 111.979 173.927 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 46.1 m -124.98 160.9 27.88 Favored 'General case' 0 N--CA 1.474 0.765 0 C-N-CA 124.761 1.225 . . . . 0.0 112.48 -172.03 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -57.11 -28.41 62.66 Favored 'General case' 0 N--CA 1.471 0.603 0 N-CA-C 114.335 1.235 . . . . 0.0 114.335 -179.672 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 43.3 m-85 -62.47 -28.95 70.18 Favored 'General case' 0 CA--C 1.541 0.599 0 C-N-CA 124.544 1.138 . . . . 0.0 112.809 174.932 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 34.9 mt-30 -83.9 -44.53 14.17 Favored 'General case' 0 CA--C 1.536 0.424 0 C-N-CA 124.686 1.195 . . . . 0.0 110.448 175.271 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 76.9 mt -59.45 -36.51 76.08 Favored 'General case' 0 CA--C 1.543 0.701 0 C-N-CA 123.549 0.74 . . . . 0.0 112.958 177.823 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 4.4 mm-40 -60.71 -32.31 71.56 Favored 'General case' 0 CA--C 1.541 0.629 0 C-N-CA 124.819 1.248 . . . . 0.0 113.099 172.344 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 90.2 m-20 -79.04 -39.66 33.39 Favored 'General case' 0 CA--C 1.54 0.577 0 C-N-CA 123.437 0.695 . . . . 0.0 111.528 177.083 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 22.9 m-85 -65.73 -22.82 66.64 Favored 'General case' 0 N--CA 1.473 0.707 0 N-CA-C 113.487 0.921 . . . . 0.0 113.487 178.207 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 21.1 t -60.9 -25.28 66.62 Favored 'General case' 0 CA--C 1.548 0.868 0 N-CA-C 113.216 0.821 . . . . 0.0 113.216 171.676 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 37.8 m-80 . . . . . 0 N--CA 1.472 0.656 0 C-N-CA 126.11 1.764 . . . . 0.0 113.031 -179.366 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' B' B ' 1' ' ' PHE . . . . . . . . . . . . . 59.4 t80 . . . . . 0 CA--C 1.539 0.55 0 N-CA-C 112.203 0.445 . . . . 0.0 112.203 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' B' B ' 2' ' ' VAL . . . . . . . . . . . . . 59.1 t -134.34 127.16 50.18 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.797 0 C-N-CA 125.277 1.431 . . . . 0.0 109.192 176.019 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 3' ' ' ASN . . . . . . . . . . . . . 3.9 p-10 -57.03 129.26 40.93 Favored 'General case' 0 CA--C 1.535 0.377 0 C-N-CA 123.868 0.867 . . . . 0.0 112.903 179.081 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 4' ' ' GLN . . . . . . . . . . . . . 5.1 pt20 -163.71 155.56 17.08 Favored 'General case' 0 CA--C 1.537 0.458 0 C-N-CA 125.528 1.531 . . . . 0.0 110.481 173.635 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 5' ' ' HIS . . . . . . . . . . . . . 43.1 m-70 -73.06 77.48 1.22 Allowed 'General case' 0 CA--C 1.546 0.813 0 C-N-CA 124.997 1.319 . . . . 0.0 111.243 171.16 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 75.3 mt -64.16 126.52 28.0 Favored 'General case' 0 N--CA 1.471 0.598 0 C-N-CA 124.816 1.246 . . . . 0.0 112.192 179.475 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 7' ' ' CYS . . . . . . . . . . . . . 4.1 t -151.76 160.83 43.44 Favored 'General case' 0 N--CA 1.471 0.613 0 N-CA-C 112.872 0.693 . . . . 0.0 112.872 178.302 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 8' ' ' GLY . . . . . . . . . . . . . . . 58.64 -137.14 50.54 Favored Glycine 0 CA--C 1.532 1.151 0 C-N-CA 124.001 0.81 . . . . 0.0 112.862 179.998 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 9' ' ' SER . . . . . . . . . . . . . 24.8 m -58.17 -35.69 71.94 Favored 'General case' 0 N--CA 1.473 0.693 0 C-N-CA 123.65 0.78 . . . . 0.0 112.825 178.12 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 10' ' ' HIS . . . . . . . . . . . . . 32.5 m170 -62.96 -37.3 86.52 Favored 'General case' 0 N--CA 1.472 0.675 0 C-N-CA 123.617 0.767 . . . . 0.0 112.471 178.708 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 51.9 tp -67.39 -43.33 81.58 Favored 'General case' 0 CA--C 1.536 0.406 0 C-N-CA 124.171 0.989 . . . . 0.0 112.173 176.179 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 75.9 t -66.2 -43.61 91.83 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.697 0 C-N-CA 123.746 0.818 . . . . 0.0 110.849 177.165 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 42.2 mt-10 -66.0 -42.67 89.45 Favored 'General case' 0 N--CA 1.467 0.401 0 O-C-N 121.613 -0.679 . . . . 0.0 112.117 176.956 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -62.79 -39.76 95.25 Favored 'General case' 0 CA--C 1.539 0.532 0 CA-C-N 119.272 0.942 . . . . 0.0 113.026 -178.392 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 15' ' ' LEU . . . . . 0.404 ' HA ' HG12 ' B' ' 18' ' ' VAL . 3.2 pp -77.45 -33.45 54.72 Favored 'General case' 0 N--CA 1.467 0.414 0 O-C-N 121.798 -0.564 . . . . 0.0 111.809 179.405 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 16' ' ' TYR . . . . . . . . . . . . . 3.4 t80 -63.22 -43.22 98.7 Favored 'General case' 0 CA--C 1.539 0.552 0 C-N-CA 123.83 0.852 . . . . 0.0 111.298 171.579 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 43.2 mt -69.06 -45.58 69.99 Favored 'General case' 0 N--CA 1.467 0.417 0 C-N-CA 123.978 0.911 . . . . 0.0 112.435 -178.936 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 18' ' ' VAL . . . . . 0.404 HG12 ' HA ' ' B' ' 15' ' ' LEU . 3.9 p -71.8 -31.26 40.71 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.84 0 N-CA-C 112.272 0.471 . . . . 0.0 112.272 -177.489 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 19' ' ' CYS . . . . . . . . . . . . . 21.0 t -81.7 -37.55 27.19 Favored 'General case' 0 CA--C 1.542 0.657 0 C-N-CA 124.135 0.974 . . . . 0.0 112.066 177.658 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . -84.16 31.29 3.47 Favored Glycine 0 CA--C 1.537 1.414 0 C-N-CA 126.513 2.006 . . . . 0.0 114.238 174.412 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 1.9 mm-40 -63.83 163.59 11.54 Favored 'General case' 0 CA--C 1.547 0.844 0 C-N-CA 124.601 1.161 . . . . 0.0 113.931 -179.59 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 22' ' ' ARG . . . . . . . . . . . . . 15.0 ptp180 -68.01 -15.9 63.81 Favored 'General case' 0 N--CA 1.477 0.907 0 C-N-CA 127.164 2.186 . . . . 0.0 116.41 -164.675 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . -62.66 158.37 36.53 Favored Glycine 0 CA--C 1.539 1.573 0 C-N-CA 124.614 1.102 . . . . 0.0 114.015 -179.654 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 24' ' ' DHI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' B' B ' 25' ' ' PHE . . . . . . . . . . . . . 10.1 m-85 -70.38 -10.66 59.68 Favored 'General case' 0 N--CA 1.477 0.895 0 N-CA-C 115.614 1.709 . . . . 0.0 115.614 -169.455 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 26' ' ' TYR . . . . . . . . . . . . . 7.4 m-85 -128.95 161.13 30.61 Favored 'General case' 0 C--N 1.322 -0.607 0 C-N-CA 127.748 2.419 . . . . 0.0 112.243 -173.487 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 27' ' ' THR . . . . . . . . . . . . . 15.3 t -144.68 133.93 11.33 Favored Pre-proline 0 N--CA 1.473 0.712 0 C-N-CA 123.699 0.799 . . . . 0.0 111.045 164.008 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 28' ' ' PRO . . . . . . . . . . . . . 67.0 Cg_exo -57.87 151.06 59.32 Favored 'Trans proline' 0 CA--C 1.54 0.785 0 C-N-CA 123.337 2.691 . . . . 0.0 112.751 165.585 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 99.2 mttt -139.38 154.62 47.87 Favored 'General case' 0 N--CA 1.476 0.831 0 C-N-CA 125.883 1.673 . . . . 0.0 111.267 -179.443 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 30' ' ' THR . . . . . . . . . . . . . 29.3 m . . . . . 0 C--O 1.252 1.236 0 C-N-CA 126.399 1.88 . . . . 0.0 110.931 -178.692 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.634 0 N-CA-C 111.145 -0.782 . . . . 0.0 111.145 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 12.2 tt -42.16 -50.56 0.93 Allowed 'Isoleucine or valine' 0 N--CA 1.482 1.128 0 C-N-CA 126.803 2.041 . . . . 0.0 115.831 -165.972 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 9.8 p -62.68 -43.77 98.88 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.779 0 C-N-CA 123.525 0.73 . . . . 0.0 112.708 -170.249 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 46.9 mt-10 -78.27 -46.92 19.03 Favored 'General case' 0 N--CA 1.464 0.275 0 C-N-CA 123.39 0.676 . . . . 0.0 110.326 172.472 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 45.4 tt0 -59.33 -41.25 88.69 Favored 'General case' 0 CA--C 1.535 0.38 0 C-N-CA 124.324 1.05 . . . . 0.0 112.877 -171.135 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 57.5 m -85.21 -26.53 26.67 Favored 'General case' 0 CA--C 1.539 0.524 0 N-CA-C 113.339 0.866 . . . . 0.0 113.339 177.482 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 6.6 t -78.29 -26.99 47.26 Favored 'General case' 0 CA--C 1.546 0.82 0 CA-C-N 119.327 0.967 . . . . 0.0 112.594 176.841 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 1.3 t -99.19 -21.93 15.89 Favored 'General case' 0 N--CA 1.478 0.935 0 C-N-CA 125.462 1.505 . . . . 0.0 114.06 -179.624 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 6.5 t -148.89 177.96 9.09 Favored 'General case' 0 N--CA 1.471 0.615 0 C-N-CA 125.387 1.475 . . . . 0.0 112.198 -177.228 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 34.9 mt -70.49 143.51 14.54 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.532 0 C-N-CA 124.485 1.114 . . . . 0.0 111.77 179.77 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 54.2 m -122.94 132.11 54.02 Favored 'General case' 0 CA--C 1.538 0.498 0 C-N-CA 124.776 1.23 . . . . 0.0 111.587 167.126 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 95.7 p -85.85 168.26 14.42 Favored 'General case' 0 N--CA 1.469 0.517 0 C-N-CA 124.858 1.263 . . . . 0.0 112.531 172.891 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -59.64 -28.13 66.95 Favored 'General case' 0 CA--C 1.541 0.602 0 N-CA-C 112.978 0.733 . . . . 0.0 112.978 167.38 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 37.0 m-85 -69.73 -41.59 75.08 Favored 'General case' 0 N--CA 1.466 0.371 0 O-C-N 121.719 -0.613 . . . . 0.0 111.308 176.614 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 39.7 mt-30 -65.26 -47.47 76.61 Favored 'General case' 0 N--CA 1.465 0.319 0 C-N-CA 123.454 0.702 . . . . 0.0 110.64 175.926 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 77.0 mt -62.56 -36.16 81.79 Favored 'General case' 0 CA--C 1.542 0.672 0 C-N-CA 123.819 0.847 . . . . 0.0 113.025 -179.907 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 37.6 mt-10 -68.67 -40.42 80.15 Favored 'General case' 0 N--CA 1.473 0.676 0 O-C-N 121.596 -0.69 . . . . 0.0 112.557 169.213 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 95.5 m-20 -64.08 -31.47 72.67 Favored 'General case' 0 CA--C 1.542 0.654 0 O-C-N 121.075 -1.016 . . . . 0.0 112.56 177.456 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 25.0 m-85 -73.56 -34.75 65.3 Favored 'General case' 0 CA--C 1.54 0.593 0 CA-C-N 118.652 0.66 . . . . 0.0 112.73 175.038 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 2.6 p -81.06 -34.04 33.02 Favored 'General case' 0 CA--C 1.541 0.598 0 N-CA-C 113.369 0.878 . . . . 0.0 113.369 -179.379 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 53.3 t-20 . . . . . 0 CA--C 1.544 0.726 0 C-N-CA 125.198 1.399 . . . . 0.0 112.201 179.398 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' B' B ' 1' ' ' PHE . . . . . . . . . . . . . 55.3 t80 . . . . . 0 CA--C 1.54 0.578 0 N-CA-C 112.199 0.444 . . . . 0.0 112.199 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' B' B ' 2' ' ' VAL . . . . . . . . . . . . . 22.2 m -135.59 139.51 46.32 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.789 0 C-N-CA 124.985 1.314 . . . . 0.0 110.102 165.249 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 3' ' ' ASN . . . . . . . . . . . . . 77.1 m-20 -57.85 136.62 57.01 Favored 'General case' 0 N--CA 1.468 0.474 0 C-N-CA 123.015 0.526 . . . . 0.0 111.662 178.692 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 4' ' ' GLN . . . . . . . . . . . . . 8.2 pt20 -164.38 158.7 18.86 Favored 'General case' 0 CA--C 1.535 0.372 0 C-N-CA 124.778 1.231 . . . . 0.0 110.809 -176.963 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 5' ' ' HIS . . . . . . . . . . . . . 17.2 m-70 -66.45 140.78 58.05 Favored 'General case' 0 CA--C 1.543 0.683 0 C-N-CA 125.061 1.344 . . . . 0.0 109.845 162.364 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 62.0 mt -142.35 129.33 20.72 Favored 'General case' 0 N--CA 1.473 0.685 0 C-N-CA 125.17 1.388 . . . . 0.0 111.386 -175.07 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 7' ' ' CYS . . . . . . . . . . . . . 4.9 t -147.34 158.38 43.94 Favored 'General case' 0 CA--C 1.54 0.586 0 C-N-CA 123.339 0.656 . . . . 0.0 112.361 -179.059 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 8' ' ' GLY . . . . . . . . . . . . . . . 58.12 -136.95 50.46 Favored Glycine 0 CA--C 1.534 1.226 0 C-N-CA 124.048 0.832 . . . . 0.0 113.612 177.851 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 9' ' ' SER . . . . . . . . . . . . . 38.7 p -59.85 -32.07 70.34 Favored 'General case' 0 N--CA 1.472 0.628 0 C-N-CA 124.198 0.999 . . . . 0.0 113.543 178.275 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 10' ' ' HIS . . . . . . . . . . . . . 26.4 m-70 -66.89 -37.65 84.79 Favored 'General case' 0 N--CA 1.47 0.574 0 CA-C-N 118.721 0.691 . . . . 0.0 111.781 178.502 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 58.1 tp -65.75 -44.58 85.48 Favored 'General case' 0 CA--C 1.537 0.465 0 C-N-CA 124.107 0.963 . . . . 0.0 111.95 174.243 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 85.8 t -63.36 -45.22 98.69 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.78 0 C-N-CA 123.658 0.783 . . . . 0.0 111.031 178.351 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 39.0 mt-10 -67.65 -41.93 83.04 Favored 'General case' 0 N--CA 1.469 0.518 0 O-C-N 121.697 -0.627 . . . . 0.0 112.396 177.008 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -63.59 -40.23 96.41 Favored 'General case' 0 CA--C 1.538 0.499 0 CA-C-N 119.029 0.832 . . . . 0.0 112.733 -179.211 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 15' ' ' LEU . . . . . 0.424 ' HA ' HG12 ' B' ' 18' ' ' VAL . 3.1 pp -75.53 -35.22 60.76 Favored 'General case' 0 N--CA 1.469 0.502 0 CA-C-N 118.436 0.562 . . . . 0.0 111.572 179.704 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 16' ' ' TYR . . . . . . . . . . . . . 2.6 t80 -61.22 -44.11 97.79 Favored 'General case' 0 CA--C 1.54 0.558 0 C-N-CA 123.913 0.885 . . . . 0.0 111.16 173.08 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 53.6 mt -67.07 -51.64 52.01 Favored 'General case' 0 CA--C 1.532 0.275 0 C-N-CA 123.49 0.716 . . . . 0.0 111.789 179.401 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 18' ' ' VAL . . . . . 0.424 HG12 ' HA ' ' B' ' 15' ' ' LEU . 4.9 p -72.42 -28.65 29.02 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.777 0 N-CA-C 112.917 0.71 . . . . 0.0 112.917 -173.302 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 19' ' ' CYS . . . . . . . . . . . . . 9.1 t -81.0 -33.2 33.86 Favored 'General case' 0 CA--C 1.545 0.76 0 C-N-CA 123.389 0.676 . . . . 0.0 112.187 174.799 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . -83.5 -24.78 49.49 Favored Glycine 0 CA--C 1.536 1.397 0 C-N-CA 124.755 1.169 . . . . 0.0 115.4 -179.262 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -62.67 150.51 40.75 Favored 'General case' 0 N--CA 1.472 0.65 0 CA-C-N 119.203 1.501 . . . . 0.0 114.942 -173.114 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 22' ' ' ARG . . . . . . . . . . . . . 6.7 mmp_? -84.73 51.01 2.03 Favored 'General case' 0 N--CA 1.472 0.662 0 C-N-CA 127.213 2.205 . . . . 0.0 112.439 -174.837 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . 75.84 -159.29 50.73 Favored Glycine 0 CA--C 1.535 1.31 0 C-N-CA 124.976 1.274 . . . . 0.0 113.889 -177.393 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 24' ' ' DHI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' B' B ' 25' ' ' PHE . . . . . . . . . . . . . 29.7 m-85 -76.09 158.93 31.26 Favored 'General case' 0 CA--C 1.541 0.632 0 C-N-CA 125.178 1.391 . . . . 0.0 112.79 -178.151 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 26' ' ' TYR . . . . . . . . . . . . . 58.8 m-85 -74.59 164.84 26.12 Favored 'General case' 0 CA--C 1.543 0.7 0 C-N-CA 124.029 0.932 . . . . 0.0 113.292 176.932 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 27' ' ' THR . . . . . . . . . . . . . 8.9 m -118.33 -37.19 0.06 OUTLIER Pre-proline 0 N--CA 1.482 1.134 0 C-N-CA 125.777 1.631 . . . . 0.0 114.358 -179.923 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 28' ' ' PRO . . . . . . . . . . . . . 55.0 Cg_exo -62.04 135.5 55.46 Favored 'Trans proline' 0 C--N 1.355 0.902 0 C-N-CA 122.905 2.404 . . . . 0.0 113.066 177.718 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 39.2 ttmt -147.17 143.65 28.38 Favored 'General case' 0 N--CA 1.475 0.777 0 C-N-CA 125.376 1.47 . . . . 0.0 111.073 -172.209 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 30' ' ' THR . . . . . . . . . . . . . 14.8 t . . . . . 0 C--O 1.253 1.26 0 C-N-CA 126.076 1.751 . . . . 0.0 111.851 178.92 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.68 0 N-CA-C 112.638 -0.185 . . . . 0.0 112.638 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 2' ' ' ILE . . . . . 0.777 HD13 ' CD2' ' A' ' 19' ' ' TYR . 0.6 OUTLIER -46.1 -51.01 4.09 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.016 0 C-N-CA 126.843 2.057 . . . . 0.0 114.7 -174.872 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 7.6 p -57.56 -43.26 82.86 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.885 0 O-C-N 121.123 -0.985 . . . . 0.0 112.497 177.837 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 42.0 mt-10 -70.09 -31.79 69.54 Favored 'General case' 0 N--CA 1.475 0.822 0 O-C-N 120.715 -1.241 . . . . 0.0 112.541 176.66 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 7.7 mm100 -71.03 -28.46 64.41 Favored 'General case' 0 CA--C 1.541 0.617 0 C-N-CA 124.053 0.941 . . . . 0.0 112.839 178.771 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 67.7 m -116.71 -30.37 5.81 Favored 'General case' 0 CA--C 1.547 0.838 0 N-CA-C 115.81 1.782 . . . . 0.0 115.81 -174.308 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 29.4 t -82.39 -32.62 29.09 Favored 'General case' 0 N--CA 1.477 0.885 0 CA-C-N 120.528 1.513 . . . . 0.0 113.112 -170.065 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 14.4 t -113.26 -10.53 13.33 Favored 'General case' 0 N--CA 1.48 1.026 0 C-N-CA 125.673 1.589 . . . . 0.0 113.413 -176.683 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 8.4 t -143.16 163.1 33.83 Favored 'General case' 0 N--CA 1.469 0.506 0 C-N-CA 126.085 1.754 . . . . 0.0 111.185 175.438 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 24.3 mt -70.03 140.4 18.64 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.601 0 C-N-CA 124.096 0.959 . . . . 0.0 111.332 179.798 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 29.3 p -130.38 162.7 28.52 Favored 'General case' 0 CA--C 1.542 0.645 0 C-N-CA 124.627 1.171 . . . . 0.0 112.09 170.15 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 19.6 m -126.31 163.39 23.34 Favored 'General case' 0 N--CA 1.474 0.739 0 C-N-CA 124.418 1.087 . . . . 0.0 112.292 -170.042 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 2.4 pt? -51.64 -36.32 45.63 Favored 'General case' 0 N--CA 1.475 0.791 0 C-N-CA 124.278 1.031 . . . . 0.0 113.242 175.959 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 31.9 m-85 -60.15 -27.35 67.01 Favored 'General case' 0 CA--C 1.539 0.52 0 C-N-CA 125.032 1.333 . . . . 0.0 113.098 177.124 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 7.7 mt-30 -95.71 -40.13 9.53 Favored 'General case' 0 CA--C 1.538 0.483 0 C-N-CA 123.856 0.862 . . . . 0.0 111.764 173.552 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 60.9 mt -60.99 -36.37 79.28 Favored 'General case' 0 N--CA 1.471 0.577 0 C-N-CA 123.949 0.9 . . . . 0.0 112.878 -178.721 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 40.6 mt-10 -66.5 -30.04 70.28 Favored 'General case' 0 CA--C 1.547 0.828 0 O-C-N 121.513 -0.742 . . . . 0.0 112.583 172.36 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 48.0 m-80 -75.79 -33.0 60.13 Favored 'General case' 0 N--CA 1.47 0.567 0 O-C-N 120.965 -1.084 . . . . 0.0 112.801 174.442 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 19' ' ' TYR . . . . . 0.777 ' CD2' HD13 ' A' ' 2' ' ' ILE . 27.1 m-85 -71.16 -27.61 63.67 Favored 'General case' 0 N--CA 1.472 0.662 0 CA-C-N 119.11 0.868 . . . . 0.0 112.355 172.713 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 48.4 t -68.83 -44.4 73.53 Favored 'General case' 0 CA--C 1.545 0.77 0 C-N-CA 123.747 0.819 . . . . 0.0 112.391 167.958 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 50.9 t-20 . . . . . 0 CA--C 1.546 0.789 0 C-N-CA 124.535 1.134 . . . . 0.0 112.58 -176.712 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' B' B ' 1' ' ' PHE . . . . . . . . . . . . . 60.0 t80 . . . . . 0 CA--C 1.541 0.627 0 N-CA-C 112.346 0.498 . . . . 0.0 112.346 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' B' B ' 2' ' ' VAL . . . . . . . . . . . . . 18.4 m -134.12 139.95 47.18 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.844 0 C-N-CA 125.399 1.479 . . . . 0.0 110.143 166.697 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 3' ' ' ASN . . . . . . . . . . . . . 72.8 m-20 -54.09 139.29 35.49 Favored 'General case' 0 N--CA 1.471 0.586 0 N-CA-C 113.378 0.881 . . . . 0.0 113.378 -179.265 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 4' ' ' GLN . . . . . . . . . . . . . 10.3 pt20 -165.97 155.15 11.69 Favored 'General case' 0 CA--C 1.536 0.412 0 C-N-CA 124.705 1.202 . . . . 0.0 111.672 -172.248 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 5' ' ' HIS . . . . . . . . . . . . . 27.9 m-70 -76.8 143.26 39.92 Favored 'General case' 0 CA--C 1.542 0.669 0 C-N-CA 124.902 1.281 . . . . 0.0 110.144 159.359 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 23.2 mt -144.97 134.23 22.9 Favored 'General case' 0 N--CA 1.473 0.694 0 C-N-CA 126.179 1.792 . . . . 0.0 110.706 -176.658 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 7' ' ' CYS . . . . . . . . . . . . . 3.9 t -149.37 159.95 43.84 Favored 'General case' 0 CA--C 1.541 0.628 0 O-C-N 121.516 -0.74 . . . . 0.0 112.819 -179.245 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 8' ' ' GLY . . . . . . . . . . . . . . . 56.66 -138.83 46.12 Favored Glycine 0 CA--C 1.533 1.206 0 C-N-CA 124.393 0.997 . . . . 0.0 113.543 177.01 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 9' ' ' SER . . . . . . . . . . . . . 22.7 m -59.56 -31.23 69.24 Favored 'General case' 0 N--CA 1.473 0.706 0 N-CA-C 113.2 0.815 . . . . 0.0 113.2 178.065 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 10' ' ' HIS . . . . . . . . . . . . . 28.4 m-70 -67.43 -35.97 80.3 Favored 'General case' 0 N--CA 1.471 0.578 0 O-C-N 121.573 -0.704 . . . . 0.0 111.831 178.25 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 11' ' ' LEU . . . . . 0.551 HD11 HD11 ' A' ' 2' ' ' ILE . 49.9 tp -66.24 -44.12 84.65 Favored 'General case' 0 CA--C 1.537 0.443 0 C-N-CA 123.961 0.904 . . . . 0.0 111.862 174.151 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 84.4 t -63.24 -43.67 98.85 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.787 0 C-N-CA 123.78 0.832 . . . . 0.0 111.085 177.437 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 39.8 mt-10 -67.23 -43.98 80.63 Favored 'General case' 0 CA--C 1.537 0.452 0 O-C-N 121.56 -0.712 . . . . 0.0 112.242 175.682 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -62.77 -40.41 97.2 Favored 'General case' 0 CA--C 1.538 0.499 0 O-C-N 121.182 -0.949 . . . . 0.0 112.805 -179.265 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 3.7 pp -73.85 -31.22 63.09 Favored 'General case' 0 CA--C 1.536 0.406 0 CA-C-N 118.598 0.636 . . . . 0.0 112.279 177.866 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 16' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -63.27 -46.79 85.2 Favored 'General case' 0 N--CA 1.469 0.506 0 CA-C-N 118.771 0.714 . . . . 0.0 110.811 169.705 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 39.2 mt -67.5 -41.49 84.4 Favored 'General case' 0 CA--C 1.535 0.387 0 C-N-CA 124.212 1.005 . . . . 0.0 112.375 -174.091 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 18' ' ' VAL . . . . . . . . . . . . . 4.7 p -75.67 -28.27 19.45 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.745 0 C-N-CA 123.217 0.607 . . . . 0.0 112.537 179.842 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 19' ' ' CYS . . . . . . . . . . . . . 29.6 t -83.26 -32.33 26.49 Favored 'General case' 0 CA--C 1.542 0.646 0 C-N-CA 124.461 1.104 . . . . 0.0 113.686 177.179 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . 76.84 16.34 80.85 Favored Glycine 0 CA--C 1.538 1.503 0 C-N-CA 125.092 1.329 . . . . 0.0 114.382 -172.999 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 32.7 tt0 -135.09 124.17 24.32 Favored 'General case' 0 N--CA 1.47 0.568 0 CA-C-N 118.374 1.087 . . . . 0.0 112.978 -171.845 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 22' ' ' ARG . . . . . . . . . . . . . 98.3 mtt180 -90.69 -24.39 20.46 Favored 'General case' 0 N--CA 1.482 1.16 0 C-N-CA 125.77 1.628 . . . . 0.0 112.39 169.513 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . 152.31 -31.49 0.86 Allowed Glycine 0 CA--C 1.537 1.411 0 C-N-CA 127.943 2.687 . . . . 0.0 111.444 -174.312 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 24' ' ' DHI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' B' B ' 25' ' ' PHE . . . . . . . . . . . . . 40.0 m-85 -68.2 153.35 43.91 Favored 'General case' 0 CA--C 1.542 0.641 0 C-N-CA 125.318 1.447 . . . . 0.0 112.954 -177.3 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 26' ' ' TYR . . . . . . . . . . . . . 60.1 m-85 -74.23 155.57 38.16 Favored 'General case' 0 N--CA 1.471 0.583 0 C-N-CA 124.353 1.061 . . . . 0.0 112.787 179.074 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 27' ' ' THR . . . . . . . . . . . . . 58.6 m -105.96 105.1 52.31 Favored Pre-proline 0 N--CA 1.476 0.861 0 C-N-CA 124.603 1.161 . . . . 0.0 109.883 175.124 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 28' ' ' PRO . . . . . . . . . . . . . 74.0 Cg_endo -68.99 157.72 60.74 Favored 'Trans proline' 0 CA--C 1.54 0.807 0 C-N-CA 123.169 2.58 . . . . 0.0 112.441 179.176 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 45.2 mmtm -108.66 158.01 18.0 Favored 'General case' 0 N--CA 1.471 0.595 0 C-N-CA 125.753 1.621 . . . . 0.0 111.622 -175.275 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 30' ' ' THR . . . . . . . . . . . . . 15.3 t . . . . . 0 C--O 1.254 1.321 0 C-N-CA 126.798 2.039 . . . . 0.0 111.808 178.533 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.482 1.718 0 N-CA-C 111.66 -0.576 . . . . 0.0 111.66 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 2' ' ' ILE . . . . . 0.442 HD13 ' CD2' ' A' ' 19' ' ' TYR . 0.9 OUTLIER -62.29 -54.0 40.03 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.965 0 C-N-CA 125.402 1.481 . . . . 0.0 112.993 -174.933 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 7.5 p -62.99 -40.14 87.89 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.99 0 O-C-N 121.078 -1.014 . . . . 0.0 111.803 177.0 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 46.8 mt-10 -75.45 7.39 3.63 Favored 'General case' 0 N--CA 1.475 0.785 0 N-CA-C 114.908 1.447 . . . . 0.0 114.908 175.585 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 18.0 tp60 -116.38 -37.41 3.76 Favored 'General case' 0 CA--C 1.54 0.568 0 C-N-CA 124.624 1.17 . . . . 0.0 112.513 165.466 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 65.9 m -108.31 -13.76 14.82 Favored 'General case' 0 CA--C 1.544 0.712 0 N-CA-C 115.87 1.804 . . . . 0.0 115.87 -170.041 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 34.8 t -95.91 -23.5 16.85 Favored 'General case' 0 N--CA 1.473 0.713 0 CA-C-N 119.405 1.002 . . . . 0.0 111.69 167.714 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 38.8 p -82.39 -33.48 28.7 Favored 'General case' 0 N--CA 1.472 0.638 0 C-N-CA 126.615 1.966 . . . . 0.0 112.73 178.39 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 75.0 m -144.04 169.03 18.61 Favored 'General case' 0 N--CA 1.471 0.606 0 C-N-CA 127.431 2.293 . . . . 0.0 110.749 178.138 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 49.6 mt -65.01 141.94 17.58 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.764 0 O-C-N 121.315 -0.866 . . . . 0.0 110.639 171.945 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 38.2 m -117.13 141.37 48.36 Favored 'General case' 0 CA--C 1.537 0.466 0 C-N-CA 124.532 1.133 . . . . 0.0 111.887 168.046 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 51.1 m -89.39 162.71 15.64 Favored 'General case' 0 N--CA 1.47 0.555 0 C-N-CA 125.13 1.372 . . . . 0.0 111.802 171.794 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . 0.402 HD12 ' H ' ' A' ' 14' ' ' TYR . 0.4 OUTLIER -57.06 -34.53 68.36 Favored 'General case' 0 CA--C 1.545 0.775 0 N-CA-C 113.399 0.889 . . . . 0.0 113.399 176.339 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 14' ' ' TYR . . . . . 0.402 ' H ' HD12 ' A' ' 13' ' ' LEU . 44.2 m-85 -61.89 -28.87 69.81 Favored 'General case' 0 CA--C 1.54 0.574 0 C-N-CA 124.669 1.187 . . . . 0.0 113.122 175.471 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 43.4 mt-30 -83.22 -51.97 7.0 Favored 'General case' 0 N--CA 1.465 0.317 0 C-N-CA 124.495 1.118 . . . . 0.0 110.231 176.129 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 96.6 mt -60.01 -38.45 82.69 Favored 'General case' 0 CA--C 1.538 0.509 0 C-N-CA 124.136 0.975 . . . . 0.0 113.074 -175.539 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 39.0 mt-10 -63.96 -26.92 68.8 Favored 'General case' 0 CA--C 1.545 0.752 0 N-CA-C 113.351 0.871 . . . . 0.0 113.351 178.125 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 89.3 m-20 -70.12 -30.97 68.3 Favored 'General case' 0 CA--C 1.541 0.627 0 O-C-N 121.22 -0.925 . . . . 0.0 112.413 178.194 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 19' ' ' TYR . . . . . 0.442 ' CD2' HD13 ' A' ' 2' ' ' ILE . 91.3 m-85 -72.88 -14.75 61.55 Favored 'General case' 0 N--CA 1.471 0.611 0 C-N-CA 124.407 1.083 . . . . 0.0 113.597 178.866 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 20.7 t -76.12 -26.15 56.09 Favored 'General case' 0 CA--C 1.546 0.81 0 C-N-CA 124.532 1.133 . . . . 0.0 113.258 176.233 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 63.3 t-20 . . . . . 0 CA--C 1.542 0.641 0 C-N-CA 124.467 1.107 . . . . 0.0 111.78 -179.489 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' B' B ' 1' ' ' PHE . . . . . . . . . . . . . 84.1 t80 . . . . . 0 CA--C 1.543 0.68 0 N-CA-C 112.556 0.576 . . . . 0.0 112.556 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' B' B ' 2' ' ' VAL . . . . . . . . . . . . . 61.5 t -133.02 131.11 58.83 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.738 0 C-N-CA 125.775 1.63 . . . . 0.0 108.532 171.454 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 3' ' ' ASN . . . . . . . . . . . . . 8.1 m-20 -54.39 138.8 38.89 Favored 'General case' 0 CA--C 1.536 0.437 0 N-CA-C 113.717 1.006 . . . . 0.0 113.717 -173.848 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 4' ' ' GLN . . . . . . . . . . . . . 7.8 pt20 -168.75 159.13 9.56 Favored 'General case' 0 CA--C 1.537 0.469 0 C-N-CA 126.717 2.007 . . . . 0.0 109.302 -178.092 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 5' ' ' HIS . . . . . . . . . . . . . 28.1 m-70 -67.85 142.68 56.05 Favored 'General case' 0 N--CA 1.471 0.622 0 C-N-CA 123.999 0.92 . . . . 0.0 110.243 162.816 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 49.9 mt -141.9 139.01 32.45 Favored 'General case' 0 N--CA 1.472 0.653 0 C-N-CA 125.62 1.568 . . . . 0.0 110.506 -174.678 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 7' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -142.61 155.51 44.97 Favored 'General case' 0 N--CA 1.474 0.734 0 N-CA-C 113.266 0.839 . . . . 0.0 113.266 -175.488 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 8' ' ' GLY . . . . . . . . . . . . . . . 52.23 -133.74 37.6 Favored Glycine 0 CA--C 1.535 1.318 0 C-N-CA 124.172 0.891 . . . . 0.0 114.129 173.028 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 9' ' ' SER . . . . . . . . . . . . . 37.6 p -61.74 -31.55 71.73 Favored 'General case' 0 N--CA 1.47 0.565 0 N-CA-C 113.455 0.909 . . . . 0.0 113.455 176.761 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 10' ' ' HIS . . . . . . . . . . . . . 30.2 m170 -65.0 -37.44 87.66 Favored 'General case' 0 N--CA 1.47 0.559 0 CA-C-N 119.156 0.889 . . . . 0.0 111.875 176.656 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 43.6 tp -66.97 -45.7 76.89 Favored 'General case' 0 N--CA 1.467 0.395 0 C-N-CA 123.88 0.872 . . . . 0.0 111.894 173.965 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 91.7 t -61.78 -43.84 97.88 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.805 0 C-N-CA 123.523 0.729 . . . . 0.0 111.352 178.77 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 43.7 mt-10 -68.78 -44.56 73.39 Favored 'General case' 0 N--CA 1.47 0.532 0 O-C-N 121.792 -0.567 . . . . 0.0 112.324 175.531 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -64.84 -37.39 87.45 Favored 'General case' 0 CA--C 1.538 0.5 0 CA-C-N 119.297 0.953 . . . . 0.0 112.836 -177.256 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 2.9 pp -75.09 -31.52 61.22 Favored 'General case' 0 N--CA 1.469 0.488 0 CA-C-N 118.494 0.588 . . . . 0.0 111.774 179.857 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 16' ' ' TYR . . . . . . . . . . . . . 4.1 t80 -70.15 -37.46 75.24 Favored 'General case' 0 CA--C 1.541 0.625 0 C-N-CA 125.075 1.35 . . . . 0.0 111.929 172.733 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 42.9 mt -72.03 -43.06 65.58 Favored 'General case' 0 N--CA 1.468 0.44 0 C-N-CA 124.394 1.078 . . . . 0.0 112.311 178.673 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 18' ' ' VAL . . . . . . . . . . . . . 7.0 p -72.16 -28.93 30.65 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.888 0 CA-C-N 118.255 0.48 . . . . 0.0 111.826 177.206 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 19' ' ' CYS . . . . . . . . . . . . . 42.3 t -67.49 -39.65 85.21 Favored 'General case' 0 N--CA 1.466 0.366 0 C-N-CA 124.743 1.217 . . . . 0.0 113.646 169.184 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . 72.19 38.69 58.99 Favored Glycine 0 CA--C 1.532 1.11 0 CA-C-O 119.659 -0.523 . . . . 0.0 112.041 -169.583 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 37.2 tt0 68.51 -32.03 0.21 Allowed 'General case' 0 N--CA 1.485 1.276 0 C-N-CA 128.699 2.8 . . . . 0.0 117.604 171.918 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 22' ' ' ARG . . . . . . . . . . . . . 16.1 ptp180 -76.94 -11.1 59.76 Favored 'General case' 0 N--CA 1.481 1.124 0 N-CA-C 116.343 1.979 . . . . 0.0 116.343 -166.535 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . 65.08 22.19 68.63 Favored Glycine 0 N--CA 1.478 1.434 0 N-CA-C 115.809 1.084 . . . . 0.0 115.809 168.872 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 24' ' ' DHI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' B' B ' 25' ' ' PHE . . . . . . . . . . . . . 56.8 m-85 -92.18 169.75 10.37 Favored 'General case' 0 CA--C 1.541 0.629 0 C-N-CA 124.749 1.22 . . . . 0.0 111.326 167.424 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 26' ' ' TYR . . . . . . . . . . . . . 64.8 m-85 -61.48 143.77 55.34 Favored 'General case' 0 CA--C 1.542 0.663 0 C-N-CA 124.079 0.952 . . . . 0.0 113.067 -174.652 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 27' ' ' THR . . . . . . . . . . . . . 85.9 m -73.54 -41.97 6.24 Favored Pre-proline 0 N--CA 1.48 1.044 0 N-CA-C 113.957 1.095 . . . . 0.0 113.957 -178.756 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 28' ' ' PRO . . . . . . . . . . . . . 51.8 Cg_exo -64.13 150.41 88.4 Favored 'Trans proline' 0 C--N 1.352 0.759 0 C-N-CA 123.057 2.505 . . . . 0.0 113.858 179.156 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 99.1 mttt -79.26 -17.32 54.95 Favored 'General case' 0 N--CA 1.479 1.02 0 N-CA-C 114.183 1.179 . . . . 0.0 114.183 -179.183 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 30' ' ' THR . . . . . . . . . . . . . 34.2 m . . . . . 0 C--O 1.252 1.193 0 C-N-CA 126.506 1.922 . . . . 0.0 111.055 -176.297 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.632 0 N-CA-C 111.475 -0.65 . . . . 0.0 111.475 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 8.5 tt -64.28 -43.19 97.17 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.852 0 N-CA-C 114.456 1.28 . . . . 0.0 114.456 -164.297 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 9.7 p -66.87 -47.12 83.53 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.038 0 O-C-N 120.695 -1.253 . . . . 0.0 112.116 -175.216 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 24.5 pt-20 -71.15 3.83 3.22 Favored 'General case' 0 CA--C 1.548 0.883 0 C-N-CA 126.157 1.783 . . . . 0.0 114.609 175.553 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 47.2 mt-30 -118.79 -35.8 3.6 Favored 'General case' 0 CA--C 1.542 0.651 0 C-N-CA 125.127 1.371 . . . . 0.0 112.404 171.926 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 55.8 m -116.09 -10.48 11.52 Favored 'General case' 0 CA--C 1.544 0.717 0 N-CA-C 114.837 1.421 . . . . 0.0 114.837 -169.379 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 43.3 t -95.93 -23.88 16.66 Favored 'General case' 0 N--CA 1.478 0.941 0 CA-C-N 118.842 0.747 . . . . 0.0 111.607 163.911 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 45.4 p -88.38 -36.36 16.62 Favored 'General case' 0 N--CA 1.475 0.796 0 C-N-CA 126.747 2.019 . . . . 0.0 112.953 179.623 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 67.9 m -127.75 175.61 8.18 Favored 'General case' 0 N--CA 1.472 0.642 0 C-N-CA 127.765 2.426 . . . . 0.0 109.747 168.962 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 44.0 mt -70.19 -45.43 75.85 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.898 0 O-C-N 120.812 -1.18 . . . . 0.0 113.732 -169.474 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 89.1 m 58.34 122.18 0.01 OUTLIER 'General case' 0 N--CA 1.477 0.9 0 C-N-CA 126.256 1.822 . . . . 0.0 114.384 -161.7 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 42.4 m -74.79 165.24 25.56 Favored 'General case' 0 N--CA 1.474 0.751 0 O-C-N 121.26 -0.9 . . . . 0.0 111.323 174.017 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -56.78 -32.99 66.19 Favored 'General case' 0 CA--C 1.543 0.679 0 N-CA-C 113.541 0.941 . . . . 0.0 113.541 176.858 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 43.9 m-85 -64.02 -34.33 77.75 Favored 'General case' 0 CA--C 1.539 0.524 0 C-N-CA 124.407 1.083 . . . . 0.0 112.674 174.828 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 46.2 mt-30 -78.46 -47.85 16.59 Favored 'General case' 0 CA--C 1.532 0.276 0 C-N-CA 124.311 1.044 . . . . 0.0 110.413 177.531 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 99.6 mt -60.37 -35.15 75.03 Favored 'General case' 0 CA--C 1.54 0.591 0 N-CA-C 113.028 0.751 . . . . 0.0 113.028 178.56 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 21.6 mt-10 -67.64 -27.41 66.85 Favored 'General case' 0 CA--C 1.542 0.662 0 N-CA-C 113.834 1.05 . . . . 0.0 113.834 173.879 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 97.0 m-20 -66.13 -28.47 68.82 Favored 'General case' 0 N--CA 1.473 0.676 0 CA-C-N 120.008 1.276 . . . . 0.0 111.955 176.152 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 87.3 m-85 -77.07 -10.88 59.67 Favored 'General case' 0 CA--C 1.545 0.783 0 C-N-CA 124.387 1.075 . . . . 0.0 113.701 174.545 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 23.1 t -72.16 -27.12 62.39 Favored 'General case' 0 CA--C 1.546 0.805 0 C-N-CA 123.747 0.819 . . . . 0.0 112.445 171.929 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 59.0 t-20 . . . . . 0 CA--C 1.543 0.695 0 C-N-CA 126.439 1.896 . . . . 0.0 113.622 178.889 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' B' B ' 1' ' ' PHE . . . . . . . . . . . . . 73.7 t80 . . . . . 0 CA--C 1.541 0.629 0 N-CA-C 112.346 0.499 . . . . 0.0 112.346 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' B' B ' 2' ' ' VAL . . . . . . . . . . . . . 59.3 t -134.41 128.82 52.21 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.758 0 C-N-CA 125.573 1.549 . . . . 0.0 108.582 173.12 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 3' ' ' ASN . . . . . . . . . . . . . 75.5 m-20 -58.29 122.05 12.26 Favored 'General case' 0 CA--C 1.539 0.52 0 C-N-CA 123.769 0.827 . . . . 0.0 112.333 -174.593 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 4' ' ' GLN . . . . . . . . . . . . . 6.2 pt20 -161.89 145.86 12.46 Favored 'General case' 0 CA--C 1.536 0.418 0 C-N-CA 126.039 1.736 . . . . 0.0 110.267 176.186 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 5' ' ' HIS . . . . . . . . . . . . . 35.6 m-70 -65.72 140.64 58.47 Favored 'General case' 0 N--CA 1.472 0.635 0 C-N-CA 123.785 0.834 . . . . 0.0 110.222 167.427 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 40.0 mt -134.69 129.17 34.36 Favored 'General case' 0 N--CA 1.469 0.516 0 C-N-CA 124.715 1.206 . . . . 0.0 111.369 -168.993 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 7' ' ' CYS . . . . . . . . . . . . . 80.0 m -138.1 148.97 45.52 Favored 'General case' 0 CA--C 1.539 0.541 0 C-N-CA 123.656 0.783 . . . . 0.0 112.145 -167.445 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 8' ' ' GLY . . . . . . . . . . . . . . . 54.16 -130.88 44.82 Favored Glycine 0 CA--C 1.536 1.348 0 C-N-CA 123.964 0.792 . . . . 0.0 113.871 173.898 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 9' ' ' SER . . . . . . . . . . . . . 12.6 t -60.5 -35.39 75.83 Favored 'General case' 0 N--CA 1.473 0.708 0 O-C-N 121.95 -0.735 . . . . 0.0 112.832 178.226 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 10' ' ' HIS . . . . . . . . . . . . . 31.3 m170 -63.96 -33.05 74.85 Favored 'General case' 0 N--CA 1.472 0.66 0 O-C-N 121.244 -0.91 . . . . 0.0 112.616 178.652 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 52.3 tp -69.07 -41.11 78.02 Favored 'General case' 0 CA--C 1.539 0.55 0 C-N-CA 124.241 1.016 . . . . 0.0 111.993 175.031 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 59.8 t -67.11 -40.93 86.37 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.781 0 C-N-CA 124.056 0.942 . . . . 0.0 111.23 176.29 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 52.2 mt-10 -66.43 -44.12 83.77 Favored 'General case' 0 N--CA 1.469 0.501 0 O-C-N 121.417 -0.802 . . . . 0.0 112.147 173.832 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -65.85 -36.03 82.31 Favored 'General case' 0 CA--C 1.538 0.486 0 N-CA-C 113.4 0.889 . . . . 0.0 113.4 -177.006 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 15' ' ' LEU . . . . . 0.42 ' HA ' HG12 ' B' ' 18' ' ' VAL . 3.3 pp -74.47 -32.71 62.66 Favored 'General case' 0 N--CA 1.471 0.59 0 CA-C-N 119.134 0.879 . . . . 0.0 111.517 177.83 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 16' ' ' TYR . . . . . . . . . . . . . 6.6 t80 -67.17 -41.17 86.42 Favored 'General case' 0 CA--C 1.542 0.656 0 C-N-CA 124.42 1.088 . . . . 0.0 111.186 172.699 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 47.6 mt -69.94 -46.22 65.77 Favored 'General case' 0 N--CA 1.466 0.37 0 C-N-CA 124.406 1.083 . . . . 0.0 112.426 178.61 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 18' ' ' VAL . . . . . 0.42 HG12 ' HA ' ' B' ' 15' ' ' LEU . 4.8 p -70.24 -27.76 33.2 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.855 0 O-C-N 121.492 -0.755 . . . . 0.0 111.928 -177.916 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 19' ' ' CYS . . . . . . . . . . . . . 37.6 t -82.0 -48.71 11.11 Favored 'General case' 0 CA--C 1.54 0.578 0 N-CA-C 113.593 0.96 . . . . 0.0 113.593 175.564 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . -96.34 -19.83 26.9 Favored Glycine 0 CA--C 1.534 1.273 0 N-CA-C 115.631 1.012 . . . . 0.0 115.631 -171.545 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 36.2 mt-10 -140.97 36.72 1.76 Allowed 'General case' 0 N--CA 1.477 0.879 0 C-N-CA 125.16 1.384 . . . . 0.0 112.503 -168.201 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 22' ' ' ARG . . . . . . . . . . . . . 10.3 ptp180 -50.64 -28.34 8.68 Favored 'General case' 0 N--CA 1.481 1.124 0 N-CA-C 116.55 2.056 . . . . 0.0 116.55 -170.859 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . -129.24 16.06 5.76 Favored Glycine 0 N--CA 1.474 1.188 0 C-N-CA 125.021 1.296 . . . . 0.0 114.563 172.063 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 24' ' ' DHI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' B' B ' 25' ' ' PHE . . . . . . . . . . . . . 5.1 m-85 -76.64 -10.51 59.44 Favored 'General case' 0 N--CA 1.47 0.563 0 C-N-CA 126.462 1.905 . . . . 0.0 114.98 -174.374 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 26' ' ' TYR . . . . . . . . . . . . . 17.2 m-85 -125.18 163.9 21.46 Favored 'General case' 0 CA--C 1.54 0.559 0 C-N-CA 127.599 2.359 . . . . 0.0 112.78 -170.933 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 27' ' ' THR . . . . . . . . . . . . . 58.0 m -115.21 112.44 44.09 Favored Pre-proline 0 N--CA 1.476 0.861 0 C-N-CA 124.981 1.313 . . . . 0.0 110.003 176.812 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 28' ' ' PRO . . . . . . . . . . . . . 65.6 Cg_exo -60.59 151.75 73.5 Favored 'Trans proline' 0 CA--C 1.539 0.764 0 C-N-CA 123.547 2.831 . . . . 0.0 113.895 176.863 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 14.4 mmmm -132.91 153.6 51.22 Favored 'General case' 0 N--CA 1.475 0.79 0 C-N-CA 126.425 1.89 . . . . 0.0 110.937 179.573 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 30' ' ' THR . . . . . . . . . . . . . 14.7 t . . . . . 0 C--O 1.252 1.217 0 C-N-CA 126.498 1.919 . . . . 0.0 111.818 178.047 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.632 0 N-CA-C 112.03 -0.428 . . . . 0.0 112.03 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 9.2 tt -74.19 -34.11 36.83 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.988 0 C-N-CA 124.676 1.191 . . . . 0.0 113.491 -178.541 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 31.4 t -62.33 138.19 22.96 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.625 0 C-N-CA 124.28 1.032 . . . . 0.0 110.222 171.994 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 44.9 mt-10 58.44 13.26 2.39 Favored 'General case' 0 N--CA 1.477 0.91 0 N-CA-C 115.701 1.741 . . . . 0.0 115.701 -168.79 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 66.1 mm-40 -104.67 -58.27 1.91 Allowed 'General case' 0 N--CA 1.473 0.688 0 C-N-CA 124.337 1.055 . . . . 0.0 110.473 163.1 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 13.9 t -79.61 -12.9 59.82 Favored 'General case' 0 CA--C 1.549 0.931 0 O-C-N 121.285 -0.884 . . . . 0.0 113.36 176.625 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 5.2 t -70.74 -14.78 62.57 Favored 'General case' 0 CA--C 1.551 1.017 0 O-C-N 120.19 -1.568 . . . . 0.0 112.902 171.341 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 6.1 t -128.66 -4.48 5.27 Favored 'General case' 0 N--CA 1.481 1.104 0 C-N-CA 125.587 1.555 . . . . 0.0 114.463 -176.511 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 90.9 p -145.43 157.52 44.0 Favored 'General case' 0 N--CA 1.472 0.63 0 C-N-CA 125.775 1.63 . . . . 0.0 111.229 173.609 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 48.3 mt -72.88 137.92 22.47 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.769 0 O-C-N 120.726 -1.233 . . . . 0.0 110.995 179.825 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 30.8 p -125.91 142.65 51.42 Favored 'General case' 0 CA--C 1.543 0.687 0 C-N-CA 124.545 1.138 . . . . 0.0 111.667 166.979 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 6.9 m -95.58 159.86 14.79 Favored 'General case' 0 N--CA 1.472 0.628 0 C-N-CA 125.685 1.594 . . . . 0.0 110.956 177.768 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 2.6 pt? -58.35 -31.38 67.55 Favored 'General case' 0 CA--C 1.544 0.735 0 O-C-N 121.09 -1.006 . . . . 0.0 113.357 177.46 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 26.8 m-85 -68.1 -25.12 65.16 Favored 'General case' 0 CA--C 1.542 0.662 0 C-N-CA 124.69 1.196 . . . . 0.0 113.363 174.685 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 44.3 mt-30 -84.54 -37.86 20.73 Favored 'General case' 0 N--CA 1.469 0.477 0 C-N-CA 124.888 1.275 . . . . 0.0 111.221 175.36 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 77.4 mt -54.32 -33.48 58.98 Favored 'General case' 0 CA--C 1.545 0.766 0 C-N-CA 124.156 0.982 . . . . 0.0 112.721 174.032 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 42.3 mt-10 -60.21 -24.82 65.13 Favored 'General case' 0 N--CA 1.473 0.692 0 N-CA-C 114.163 1.172 . . . . 0.0 114.163 175.144 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 81.8 m-20 -76.2 -20.98 56.99 Favored 'General case' 0 CA--C 1.543 0.69 0 O-C-N 121.315 -0.866 . . . . 0.0 112.633 176.623 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 96.1 m-85 -94.45 -34.87 12.56 Favored 'General case' 0 CA--C 1.539 0.521 0 C-N-CA 124.789 1.236 . . . . 0.0 113.126 -178.731 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 14.9 p -70.04 -29.89 67.02 Favored 'General case' 0 CA--C 1.542 0.671 0 N-CA-C 113.841 1.052 . . . . 0.0 113.841 -174.832 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 54.8 t-20 . . . . . 0 CA--C 1.541 0.622 0 C-N-CA 125.938 1.695 . . . . 0.0 111.444 -179.134 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' B' B ' 1' ' ' PHE . . . . . . . . . . . . . 34.2 t80 . . . . . 0 CA--C 1.54 0.567 0 N-CA-C 111.937 0.347 . . . . 0.0 111.937 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' B' B ' 2' ' ' VAL . . . . . . . . . . . . . 18.0 m -135.7 135.69 50.91 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.792 0 C-N-CA 124.947 1.299 . . . . 0.0 110.224 167.561 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 3' ' ' ASN . . . . . . . . . . . . . 11.9 m-20 -61.97 140.5 58.33 Favored 'General case' 0 N--CA 1.466 0.329 0 CA-C-O 121.634 0.731 . . . . 0.0 112.559 -178.339 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 4' ' ' GLN . . . . . . . . . . . . . 6.7 pt20 -166.33 164.66 17.55 Favored 'General case' 0 CA--C 1.537 0.453 0 C-N-CA 126.05 1.74 . . . . 0.0 109.757 179.993 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 5' ' ' HIS . . . . . . . . . . . . . 24.3 m-70 -72.04 74.37 0.91 Allowed 'General case' 0 CA--C 1.546 0.813 0 C-N-CA 125.381 1.473 . . . . 0.0 110.96 168.098 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 70.9 mt -63.2 137.2 58.14 Favored 'General case' 0 N--CA 1.472 0.658 0 C-N-CA 124.344 1.058 . . . . 0.0 111.756 -179.03 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 7' ' ' CYS . . . . . . . . . . . . . 8.4 t -148.84 159.05 44.53 Favored 'General case' 0 CA--C 1.541 0.629 0 C-N-CA 123.277 0.631 . . . . 0.0 112.681 -178.437 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 8' ' ' GLY . . . . . . . . . . . . . . . 56.73 -137.37 48.61 Favored Glycine 0 CA--C 1.532 1.144 0 C-N-CA 124.455 1.026 . . . . 0.0 113.422 176.051 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 9' ' ' SER . . . . . . . . . . . . . 20.2 m -58.53 -33.17 69.57 Favored 'General case' 0 N--CA 1.471 0.602 0 C-N-CA 123.767 0.827 . . . . 0.0 113.12 178.971 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 10' ' ' HIS . . . . . . . . . . . . . 27.9 m-70 -66.78 -37.6 84.89 Favored 'General case' 0 N--CA 1.473 0.711 0 CA-C-N 118.853 0.751 . . . . 0.0 112.021 179.104 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 48.2 tp -66.0 -43.82 86.6 Favored 'General case' 0 CA--C 1.537 0.463 0 C-N-CA 124.176 0.99 . . . . 0.0 112.085 175.468 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 92.2 t -67.71 -44.37 85.93 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.704 0 C-N-CA 123.848 0.859 . . . . 0.0 111.074 178.455 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 39.1 mt-10 -65.34 -39.73 92.75 Favored 'General case' 0 N--CA 1.468 0.459 0 O-C-N 121.61 -0.681 . . . . 0.0 112.152 176.881 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -63.67 -39.61 94.76 Favored 'General case' 0 CA--C 1.542 0.638 0 CA-C-N 119.169 0.895 . . . . 0.0 113.006 -179.358 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 15' ' ' LEU . . . . . 0.432 ' HA ' HG12 ' B' ' 18' ' ' VAL . 3.7 pp -79.17 -31.57 43.96 Favored 'General case' 0 N--CA 1.469 0.523 0 O-C-N 121.761 -0.587 . . . . 0.0 111.908 179.163 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 16' ' ' TYR . . . . . . . . . . . . . 4.6 t80 -63.11 -39.65 95.33 Favored 'General case' 0 CA--C 1.538 0.487 0 C-N-CA 123.91 0.884 . . . . 0.0 111.556 170.146 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 36.9 mt -70.9 -51.18 27.72 Favored 'General case' 0 N--CA 1.465 0.287 0 C-N-CA 123.63 0.772 . . . . 0.0 111.9 179.961 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 18' ' ' VAL . . . . . 0.432 HG12 ' HA ' ' B' ' 15' ' ' LEU . 9.1 p -65.2 -31.89 55.86 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.798 0 N-CA-C 112.152 0.427 . . . . 0.0 112.152 -174.492 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 19' ' ' CYS . . . . . . . . . . . . . 73.8 m -92.33 -26.15 18.23 Favored 'General case' 0 CA--C 1.543 0.699 0 N-CA-C 114.115 1.154 . . . . 0.0 114.115 178.616 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . -83.12 -22.87 56.52 Favored Glycine 0 CA--C 1.537 1.431 0 C-N-CA 124.774 1.178 . . . . 0.0 114.84 178.778 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 37.6 tt0 -67.87 144.05 55.45 Favored 'General case' 0 CA--C 1.547 0.827 0 CA-C-N 118.63 1.215 . . . . 0.0 112.404 177.611 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 22' ' ' ARG . . . . . . . . . . . . . 12.2 ptp85 -70.59 -9.73 57.59 Favored 'General case' 0 N--CA 1.48 1.067 0 N-CA-C 115.803 1.779 . . . . 0.0 115.803 -176.642 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . -72.63 -157.37 3.67 Favored Glycine 0 CA--C 1.539 1.589 0 C-N-CA 125.929 1.728 . . . . 0.0 114.991 179.769 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 24' ' ' DHI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' B' B ' 25' ' ' PHE . . . . . . . . . . . . . 47.3 m-85 -70.22 159.12 34.58 Favored 'General case' 0 CA--C 1.542 0.637 0 C-N-CA 125.004 1.322 . . . . 0.0 113.268 -177.305 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 26' ' ' TYR . . . . . . . . . . . . . 72.2 m-85 -66.64 152.57 45.1 Favored 'General case' 0 CA--C 1.54 0.596 0 C-N-CA 124.179 0.992 . . . . 0.0 113.253 177.079 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 27' ' ' THR . . . . . . . . . . . . . 9.8 t -153.56 137.3 10.47 Favored Pre-proline 0 N--CA 1.472 0.674 0 C-N-CA 125.072 1.349 . . . . 0.0 111.012 168.728 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 28' ' ' PRO . . . . . . . . . . . . . 77.9 Cg_endo -74.75 148.15 91.08 Favored 'Cis proline' 0 CA--C 1.543 0.929 0 C-N-CA 129.237 0.932 . . . . 0.0 112.333 -1.524 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 74.8 mmtt 59.09 165.17 0.05 OUTLIER 'General case' 0 N--CA 1.479 0.976 0 C-N-CA 127.467 2.307 . . . . 0.0 114.968 -175.597 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 30' ' ' THR . . . . . . . . . . . . . 23.2 p . . . . . 0 C--O 1.254 1.305 0 C-N-CA 126.857 2.063 . . . . 0.0 112.347 -178.673 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.679 0 N-CA-C 111.861 -0.496 . . . . 0.0 111.861 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 2' ' ' ILE . . . . . 0.472 HD13 ' CE2' ' A' ' 19' ' ' TYR . 6.0 tp -71.08 -34.58 55.58 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.066 0 C-N-CA 124.806 1.242 . . . . 0.0 112.886 -179.487 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 24.6 t -66.54 138.92 22.03 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.734 0 C-N-CA 124.163 0.985 . . . . 0.0 110.582 173.647 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 44.6 mt-10 56.2 24.17 7.81 Favored 'General case' 0 N--CA 1.477 0.883 0 C-N-CA 125.669 1.588 . . . . 0.0 114.669 -169.15 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 21.9 mm-40 -116.21 -57.9 2.16 Favored 'General case' 0 N--CA 1.471 0.588 0 C-N-CA 124.499 1.119 . . . . 0.0 110.635 162.682 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 14.7 t -79.76 -10.36 59.78 Favored 'General case' 0 CA--C 1.549 0.911 0 N-CA-C 113.789 1.033 . . . . 0.0 113.789 179.368 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 21.5 t -83.47 -7.59 59.52 Favored 'General case' 0 CA--C 1.551 0.992 0 O-C-N 120.772 -1.205 . . . . 0.0 113.136 171.703 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 8.2 t -123.59 -17.72 6.36 Favored 'General case' 0 N--CA 1.483 1.176 0 C-N-CA 124.982 1.313 . . . . 0.0 114.346 176.561 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 71.1 m -134.98 156.98 48.09 Favored 'General case' 0 N--CA 1.473 0.707 0 C-N-CA 126.259 1.824 . . . . 0.0 110.741 174.195 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 67.1 mt -69.01 141.7 17.08 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.881 0 O-C-N 120.918 -1.114 . . . . 0.0 110.631 176.457 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 19.5 p -131.66 151.71 51.41 Favored 'General case' 0 CA--C 1.542 0.654 0 C-N-CA 124.051 0.94 . . . . 0.0 112.704 168.891 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 70.5 m -107.72 166.81 10.41 Favored 'General case' 0 N--CA 1.474 0.725 0 C-N-CA 126.064 1.746 . . . . 0.0 112.753 178.835 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 92.7 mt -47.06 -45.6 21.85 Favored 'General case' 0 N--CA 1.474 0.754 0 C-N-CA 125.883 1.673 . . . . 0.0 112.078 176.96 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 39.8 m-85 -67.78 -29.65 68.89 Favored 'General case' 0 CA--C 1.538 0.505 0 C-N-CA 124.834 1.254 . . . . 0.0 112.818 -176.494 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 46.5 mt-30 -77.01 -42.26 39.38 Favored 'General case' 0 N--CA 1.464 0.235 0 C-N-CA 123.767 0.827 . . . . 0.0 110.596 176.814 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 85.6 mt -57.98 -39.91 79.38 Favored 'General case' 0 CA--C 1.542 0.642 0 C-N-CA 123.534 0.734 . . . . 0.0 112.009 174.389 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 44.1 mt-10 -61.61 -28.01 69.06 Favored 'General case' 0 N--CA 1.473 0.697 0 N-CA-C 113.702 1.001 . . . . 0.0 113.702 174.042 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 13.5 m-80 -73.1 -22.89 60.48 Favored 'General case' 0 CA--C 1.543 0.697 0 CA-C-N 119.328 0.967 . . . . 0.0 112.941 175.279 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 19' ' ' TYR . . . . . 0.472 ' CE2' HD13 ' A' ' 2' ' ' ILE . 98.5 m-85 -79.75 -34.27 40.01 Favored 'General case' 0 N--CA 1.473 0.69 0 CA-C-N 119.114 0.87 . . . . 0.0 111.983 169.784 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 85.5 m -69.38 -35.95 76.32 Favored 'General case' 0 CA--C 1.543 0.685 0 C-N-CA 123.791 0.836 . . . . 0.0 112.677 174.218 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 47.9 t30 . . . . . 0 CA--C 1.547 0.833 0 C-N-CA 127.474 2.309 . . . . 0.0 113.859 175.848 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' B' B ' 1' ' ' PHE . . . . . . . . . . . . . 21.7 t80 . . . . . 0 CA--C 1.538 0.493 0 CA-C-O 120.777 0.322 . . . . 0.0 111.865 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' B' B ' 2' ' ' VAL . . . . . . . . . . . . . 25.1 m -136.7 144.44 32.5 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.818 0 C-N-CA 125.22 1.408 . . . . 0.0 109.85 166.64 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 3' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -49.8 125.41 11.69 Favored 'General case' 0 N--CA 1.47 0.564 0 C-N-CA 123.694 0.798 . . . . 0.0 113.008 177.592 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 4' ' ' GLN . . . . . . . . . . . . . 7.2 pt20 -162.39 152.62 16.67 Favored 'General case' 0 CA--C 1.534 0.364 0 C-N-CA 125.184 1.394 . . . . 0.0 110.286 177.956 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 5' ' ' HIS . . . . . . . . . . . . . 28.5 m-70 -67.68 143.73 55.82 Favored 'General case' 0 CA--C 1.541 0.63 0 C-N-CA 124.103 0.961 . . . . 0.0 109.819 161.072 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 66.5 mt -136.65 135.93 38.7 Favored 'General case' 0 N--CA 1.471 0.61 0 C-N-CA 125.251 1.42 . . . . 0.0 110.835 -175.54 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 7' ' ' CYS . . . . . . . . . . . . . 79.6 m -136.77 152.89 50.82 Favored 'General case' 0 CA--C 1.54 0.578 0 C-N-CA 124.595 1.158 . . . . 0.0 111.89 -172.302 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 8' ' ' GLY . . . . . . . . . . . . . . . 51.89 -129.05 34.47 Favored Glycine 0 CA--C 1.536 1.356 0 C-N-CA 124.101 0.858 . . . . 0.0 114.218 170.09 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 9' ' ' SER . . . . . . . . . . . . . 8.0 t -58.83 -39.88 82.51 Favored 'General case' 0 N--CA 1.472 0.657 0 C-N-CA 123.465 0.706 . . . . 0.0 112.425 178.493 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 10' ' ' HIS . . . . . . . . . . . . . 32.5 m170 -61.17 -35.51 77.33 Favored 'General case' 0 N--CA 1.473 0.713 0 O-C-N 121.4 -0.813 . . . . 0.0 112.529 178.944 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 40.3 tp -70.71 -43.45 68.96 Favored 'General case' 0 CA--C 1.537 0.454 0 C-N-CA 124.004 0.922 . . . . 0.0 112.243 176.857 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 85.0 t -65.19 -43.65 95.44 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.727 0 C-N-CA 123.695 0.798 . . . . 0.0 110.874 176.018 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 33.4 mt-10 -64.35 -41.72 96.6 Favored 'General case' 0 N--CA 1.47 0.535 0 C-N-CA 124.309 1.044 . . . . 0.0 112.055 177.856 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -62.79 -39.84 95.49 Favored 'General case' 0 CA--C 1.541 0.617 0 O-C-N 121.559 -0.713 . . . . 0.0 112.76 179.199 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 15' ' ' LEU . . . . . 0.404 ' HA ' HG12 ' B' ' 18' ' ' VAL . 3.9 pp -79.63 -34.33 40.64 Favored 'General case' 0 N--CA 1.468 0.463 0 CA-C-N 118.267 0.485 . . . . 0.0 111.602 179.08 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 16' ' ' TYR . . . . . . . . . . . . . 4.8 t80 -58.56 -39.01 79.05 Favored 'General case' 0 CA--C 1.54 0.578 0 C-N-CA 123.999 0.92 . . . . 0.0 111.966 171.428 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 36.5 mt -70.85 -50.08 39.18 Favored 'General case' 0 N--CA 1.465 0.319 0 C-N-CA 123.33 0.652 . . . . 0.0 112.3 -178.819 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 18' ' ' VAL . . . . . 0.404 HG12 ' HA ' ' B' ' 15' ' ' LEU . 10.5 p -71.39 -32.99 48.48 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.66 0 C-N-CA 123.254 0.621 . . . . 0.0 112.507 -176.156 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 19' ' ' CYS . . . . . . . . . . . . . 81.6 m -90.77 -26.26 19.56 Favored 'General case' 0 CA--C 1.543 0.69 0 N-CA-C 113.346 0.869 . . . . 0.0 113.346 -178.53 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . -82.97 -1.64 90.65 Favored Glycine 0 CA--C 1.537 1.42 0 C-N-CA 125.281 1.419 . . . . 0.0 114.876 174.668 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 8.9 tp10 -59.02 146.72 37.26 Favored 'General case' 0 CA--C 1.547 0.83 0 CA-C-N 118.842 1.321 . . . . 0.0 113.061 -177.751 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 22' ' ' ARG . . . . . . . . . . . . . 6.9 mmp_? -79.65 46.17 0.74 Allowed 'General case' 0 N--CA 1.477 0.909 0 C-N-CA 127.031 2.132 . . . . 0.0 113.23 -176.83 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . -75.36 29.29 1.2 Allowed Glycine 0 CA--C 1.539 1.563 0 C-N-CA 126.761 2.124 . . . . 0.0 115.804 -177.099 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 24' ' ' DHI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' B' B ' 25' ' ' PHE . . . . . . . . . . . . . 73.2 m-85 -93.02 133.22 36.38 Favored 'General case' 0 CA--C 1.539 0.52 0 C-N-CA 125.75 1.62 . . . . 0.0 111.83 -172.248 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 26' ' ' TYR . . . . . . . . . . . . . 75.6 m-85 -87.98 140.21 29.72 Favored 'General case' 0 CA--C 1.538 0.519 0 C-N-CA 124.224 1.01 . . . . 0.0 111.65 178.654 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 27' ' ' THR . . . . . . . . . . . . . 70.6 p 39.02 54.47 4.92 Favored Pre-proline 0 N--CA 1.478 0.957 0 C-N-CA 126.893 2.077 . . . . 0.0 115.409 178.452 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 28' ' ' PRO . . . . . . . . . . . . . 88.0 Cg_endo -67.7 155.04 71.62 Favored 'Trans proline' 0 CA--C 1.541 0.841 0 C-N-CA 123.377 2.718 . . . . 0.0 112.883 -177.027 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 68.3 mttm -137.24 154.62 50.11 Favored 'General case' 0 N--CA 1.475 0.776 0 C-N-CA 126.281 1.832 . . . . 0.0 111.188 179.744 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 30' ' ' THR . . . . . . . . . . . . . 24.1 p . . . . . 0 C--O 1.251 1.161 0 C-N-CA 126.598 1.959 . . . . 0.0 112.426 -178.645 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.479 1.525 0 N-CA-C 111.184 -0.766 . . . . 0.0 111.184 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 10.2 tt -46.09 -53.18 2.6 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.911 0 C-N-CA 126.146 1.778 . . . . 0.0 115.268 -168.11 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 7.1 p -71.04 -39.82 75.14 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.958 0 CA-C-N 119.092 0.86 . . . . 0.0 112.67 -174.953 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 47.3 mt-10 -76.83 -6.7 53.4 Favored 'General case' 0 N--CA 1.474 0.758 0 N-CA-C 113.734 1.012 . . . . 0.0 113.734 176.174 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 40.7 mt-30 -90.24 -57.31 2.89 Favored 'General case' 0 CA--C 1.538 0.486 0 C-N-CA 124.492 1.117 . . . . 0.0 110.527 164.013 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 76.4 m -110.54 36.1 3.22 Favored 'General case' 0 CA--C 1.545 0.771 0 N-CA-C 114.66 1.355 . . . . 0.0 114.66 -168.22 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 45.0 t -110.82 -18.36 13.13 Favored 'General case' 0 CA--C 1.552 1.049 0 O-C-N 121.323 -0.861 . . . . 0.0 112.904 146.085 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 6.2 t -114.4 -21.68 10.25 Favored 'General case' 0 N--CA 1.483 1.206 0 N-CA-C 114.837 1.421 . . . . 0.0 114.837 -171.242 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 58.2 m -131.11 162.16 30.5 Favored 'General case' 0 N--CA 1.475 0.788 0 C-N-CA 125.652 1.581 . . . . 0.0 111.69 175.832 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 14.0 mt -61.56 130.0 25.2 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.711 0 C-N-CA 123.759 0.823 . . . . 0.0 111.268 176.061 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -90.74 165.65 13.56 Favored 'General case' 0 CA--C 1.539 0.522 0 C-N-CA 124.98 1.312 . . . . 0.0 111.506 173.365 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 76.5 p -126.15 162.42 25.42 Favored 'General case' 0 N--CA 1.469 0.503 0 C-N-CA 124.331 1.053 . . . . 0.0 111.839 168.077 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 1.7 pt? -53.63 -32.42 51.27 Favored 'General case' 0 CA--C 1.534 0.332 0 C-N-CA 123.071 0.548 . . . . 0.0 112.423 165.476 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 28.2 m-85 -69.5 -39.55 77.53 Favored 'General case' 0 CA--C 1.537 0.453 0 C-N-CA 122.943 0.497 . . . . 0.0 111.522 178.639 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 40.5 mt-30 -67.2 -45.29 77.31 Favored 'General case' 0 N--CA 1.47 0.538 0 O-C-N 121.361 -0.837 . . . . 0.0 110.873 173.995 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 74.8 mt -60.74 -36.97 80.21 Favored 'General case' 0 CA--C 1.543 0.7 0 C-N-CA 123.762 0.825 . . . . 0.0 112.278 177.418 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 30.5 mt-10 -65.68 -37.46 86.57 Favored 'General case' 0 CA--C 1.543 0.694 0 C-N-CA 124.219 1.008 . . . . 0.0 112.656 173.054 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 20.6 m-80 -66.08 -36.4 83.09 Favored 'General case' 0 CA--C 1.54 0.587 0 O-C-N 121.233 -0.917 . . . . 0.0 111.995 172.452 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 20.8 m-85 -72.73 -40.21 66.27 Favored 'General case' 0 CA--C 1.538 0.481 0 N-CA-C 112.807 0.669 . . . . 0.0 112.807 179.473 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 13.6 p -74.21 -38.28 63.63 Favored 'General case' 0 CA--C 1.543 0.68 0 N-CA-C 112.789 0.662 . . . . 0.0 112.789 -177.343 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 49.6 t30 . . . . . 0 CA--C 1.549 0.915 0 C-N-CA 127.34 2.256 . . . . 0.0 113.504 178.468 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' B' B ' 1' ' ' PHE . . . . . . . . . . . . . 64.5 t80 . . . . . 0 CA--C 1.541 0.632 0 N-CA-C 112.368 0.507 . . . . 0.0 112.368 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' B' B ' 2' ' ' VAL . . . . . . . . . . . . . 21.1 m -134.83 139.24 47.86 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.741 0 C-N-CA 125.137 1.375 . . . . 0.0 110.383 167.411 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 3' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -51.06 130.45 25.89 Favored 'General case' 0 N--CA 1.47 0.561 0 C-N-CA 124.326 1.051 . . . . 0.0 113.783 -179.628 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 4' ' ' GLN . . . . . . . . . . . . . 8.3 pt20 -162.41 151.08 14.87 Favored 'General case' 0 CA--C 1.537 0.473 0 C-N-CA 125.298 1.439 . . . . 0.0 110.991 178.637 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 5' ' ' HIS . . . . . . . . . . . . . 48.6 m-70 -66.17 -38.7 88.7 Favored 'General case' 0 N--CA 1.476 0.872 0 N-CA-C 114.807 1.41 . . . . 0.0 114.807 -178.372 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 41.0 mt 56.29 179.62 0.04 OUTLIER 'General case' 0 CA--C 1.553 1.068 0 C-N-CA 126.028 1.731 . . . . 0.0 112.662 -167.009 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 7' ' ' CYS . . . . . . . . . . . . . 12.9 t -162.53 -179.63 7.06 Favored 'General case' 0 CA--C 1.549 0.908 0 C-N-CA 126.401 1.881 . . . . 0.0 109.189 160.851 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 8' ' ' GLY . . . . . . . . . . . . . . . -48.61 147.5 5.14 Favored Glycine 0 CA--C 1.531 1.055 0 C-N-CA 125.149 1.357 . . . . 0.0 116.222 -177.204 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 9' ' ' SER . . . . . . . . . . . . . 52.8 p 59.03 -35.86 0.06 Allowed 'General case' 0 N--CA 1.479 0.986 0 C-N-CA 128.853 2.861 . . . . 0.0 115.464 -165.803 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 10' ' ' HIS . . . . . . . . . . . . . 26.9 m-70 -73.5 -36.88 65.82 Favored 'General case' 0 N--CA 1.479 0.987 0 O-C-N 121.223 -0.923 . . . . 0.0 110.921 174.387 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 48.3 tp -63.72 -34.62 78.28 Favored 'General case' 0 CA--C 1.542 0.64 0 C-N-CA 127.769 2.428 . . . . 0.0 112.459 171.525 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 40.9 t -72.43 -38.61 61.01 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.859 0 C-N-CA 124.021 0.928 . . . . 0.0 110.843 175.574 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 43.4 mt-10 -66.53 -40.55 89.17 Favored 'General case' 0 CA--C 1.539 0.553 0 O-C-N 121.317 -0.864 . . . . 0.0 112.022 170.226 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -61.19 -40.67 94.81 Favored 'General case' 0 CA--C 1.542 0.656 0 O-C-N 121.281 -0.887 . . . . 0.0 113.011 -179.627 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 3.9 pp -75.4 -34.5 61.08 Favored 'General case' 0 N--CA 1.47 0.544 0 O-C-N 121.709 -0.62 . . . . 0.0 112.064 177.795 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 16' ' ' TYR . . . . . . . . . . . . . 1.0 OUTLIER -61.96 -40.51 95.83 Favored 'General case' 0 CA--C 1.54 0.571 0 C-N-CA 123.414 0.686 . . . . 0.0 111.414 171.792 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 38.2 mt -70.31 -46.17 64.77 Favored 'General case' 0 CA--C 1.533 0.294 0 C-N-CA 123.874 0.87 . . . . 0.0 112.587 -178.445 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 18' ' ' VAL . . . . . . . . . . . . . 9.7 p -74.59 -27.37 20.87 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.745 0 N-CA-C 112.865 0.691 . . . . 0.0 112.865 -175.423 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 19' ' ' CYS . . . . . . . . . . . . . 78.8 m -99.29 -27.13 13.92 Favored 'General case' 0 CA--C 1.541 0.605 0 N-CA-C 114.651 1.352 . . . . 0.0 114.651 -179.807 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . 75.35 -1.71 55.51 Favored Glycine 0 CA--C 1.538 1.497 0 C-N-CA 124.888 1.233 . . . . 0.0 114.724 -170.197 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 37.6 mt-10 -81.28 127.04 32.28 Favored 'General case' 0 N--CA 1.471 0.605 0 CA-C-N 118.841 1.32 . . . . 0.0 110.938 -179.679 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 22' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -128.69 13.51 6.41 Favored 'General case' 0 N--CA 1.478 0.931 0 N-CA-C 115.443 1.646 . . . . 0.0 115.443 -163.898 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . -157.73 -168.11 19.66 Favored Glycine 0 CA--C 1.533 1.19 0 C-N-CA 125.088 1.328 . . . . 0.0 113.548 -175.294 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 24' ' ' DHI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' B' B ' 25' ' ' PHE . . . . . . . . . . . . . 61.0 m-85 -69.89 159.71 33.18 Favored 'General case' 0 CA--C 1.542 0.663 0 C-N-CA 125.047 1.339 . . . . 0.0 112.903 178.796 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 26' ' ' TYR . . . . . . . . . . . . . 65.6 m-85 -68.62 164.16 22.09 Favored 'General case' 0 CA--C 1.543 0.689 0 C-N-CA 124.189 0.996 . . . . 0.0 112.194 171.759 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 27' ' ' THR . . . . . . . . . . . . . 22.8 m -54.58 -49.39 91.39 Favored Pre-proline 0 N--CA 1.479 0.993 0 C-N-CA 124.305 1.042 . . . . 0.0 113.346 177.706 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 28' ' ' PRO . . . . . . . . . . . . . 72.6 Cg_endo -71.37 121.36 7.69 Favored 'Trans proline' 0 CA--C 1.541 0.848 0 C-N-CA 122.688 2.259 . . . . 0.0 110.974 165.852 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 23.4 tptm -150.15 -46.98 0.13 Allowed 'General case' 0 N--CA 1.48 1.037 0 C-N-CA 125.216 1.406 . . . . 0.0 111.961 177.121 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 30' ' ' THR . . . . . . . . . . . . . 7.1 m . . . . . 0 C--O 1.254 1.298 0 C-N-CA 127.726 2.41 . . . . 0.0 113.572 173.534 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.644 0 N-CA-C 111.779 -0.528 . . . . 0.0 111.779 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 15.9 tt -78.67 -36.86 20.07 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.988 0 C-N-CA 124.777 1.231 . . . . 0.0 112.875 -179.098 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 42.4 t -67.25 146.78 12.92 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.7 0 C-N-CA 124.299 1.04 . . . . 0.0 109.727 164.097 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 43.9 mt-10 61.37 7.15 1.62 Allowed 'General case' 0 N--CA 1.482 1.134 0 C-N-CA 125.91 1.684 . . . . 0.0 115.478 -164.986 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 1.7 mp0 -113.74 -42.93 3.35 Favored 'General case' 0 N--CA 1.475 0.784 0 C-N-CA 125.365 1.466 . . . . 0.0 112.293 167.817 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 75.7 m -98.92 -24.9 14.78 Favored 'General case' 0 N--CA 1.476 0.845 0 N-CA-C 113.64 0.978 . . . . 0.0 113.64 177.256 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 65.3 m -71.05 -5.67 33.13 Favored 'General case' 0 CA--C 1.55 0.95 0 O-C-N 121.128 -0.982 . . . . 0.0 113.007 173.682 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 45.3 p -133.05 -26.54 1.71 Allowed 'General case' 0 N--CA 1.476 0.856 0 C-N-CA 126.693 1.997 . . . . 0.0 113.351 -160.787 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 66.0 m -139.3 156.71 46.85 Favored 'General case' 0 N--CA 1.47 0.566 0 C-N-CA 127.769 2.428 . . . . 0.0 109.409 170.789 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 11.7 mt -64.05 140.54 19.51 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.791 0 O-C-N 121.15 -0.969 . . . . 0.0 111.297 179.751 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 61.8 m -121.16 104.76 10.0 Favored 'General case' 0 CA--C 1.538 0.509 0 C-N-CA 124.771 1.229 . . . . 0.0 111.413 172.885 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 49.6 m -75.36 169.52 17.9 Favored 'General case' 0 N--CA 1.473 0.703 0 C-N-CA 125.507 1.523 . . . . 0.0 111.891 171.698 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 88.8 mt -46.59 -46.06 19.33 Favored 'General case' 0 N--CA 1.474 0.74 0 C-N-CA 124.563 1.145 . . . . 0.0 111.589 173.989 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 54.9 m-85 -67.39 -21.35 65.6 Favored 'General case' 0 CA--C 1.541 0.623 0 C-N-CA 125.19 1.396 . . . . 0.0 114.183 -176.985 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 42.9 mt-30 -87.73 -46.95 9.03 Favored 'General case' 0 N--CA 1.469 0.512 0 C-N-CA 125.277 1.431 . . . . 0.0 110.524 173.617 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 96.2 mt -60.16 -29.68 68.82 Favored 'General case' 0 CA--C 1.546 0.809 0 C-N-CA 124.792 1.237 . . . . 0.0 113.08 176.605 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 26.1 mt-10 -54.87 -31.89 60.17 Favored 'General case' 0 N--CA 1.474 0.754 0 C-N-CA 125.0 1.32 . . . . 0.0 114.024 171.559 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 51.4 m-80 -69.6 -30.89 68.75 Favored 'General case' 0 N--CA 1.472 0.672 0 CA-C-N 119.487 1.039 . . . . 0.0 111.944 178.547 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 74.8 m-85 -81.46 -25.9 35.7 Favored 'General case' 0 CA--C 1.541 0.612 0 C-N-CA 124.01 0.924 . . . . 0.0 112.559 175.537 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 39.0 t -67.72 -45.68 74.37 Favored 'General case' 0 CA--C 1.543 0.702 0 C-N-CA 123.874 0.87 . . . . 0.0 111.733 166.414 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 50.7 t-20 . . . . . 0 CA--C 1.542 0.639 0 C-N-CA 125.262 1.425 . . . . 0.0 111.409 178.903 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' B' B ' 1' ' ' PHE . . . . . . . . . . . . . 36.1 t80 . . . . . 0 CA--C 1.54 0.559 0 CA-C-O 121.125 0.488 . . . . 0.0 112.263 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' B' B ' 2' ' ' VAL . . . . . . . . . . . . . 59.8 t -132.95 123.02 47.6 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.659 0 C-N-CA 125.854 1.661 . . . . 0.0 107.286 165.787 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 3' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -67.68 153.7 43.13 Favored 'General case' 0 CA--C 1.539 0.544 0 N-CA-C 114.761 1.393 . . . . 0.0 114.761 -172.303 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 4' ' ' GLN . . . . . . . . . . . . . 10.3 pt20 -154.44 -157.56 0.77 Allowed 'General case' 0 CA--C 1.542 0.649 0 C-N-CA 128.806 2.842 . . . . 0.0 106.102 166.83 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 5' ' ' HIS . . . . . . . . . . . . . 22.1 m-70 -81.48 74.56 8.47 Favored 'General case' 0 C--N 1.32 -0.679 0 C-N-CA 125.686 1.595 . . . . 0.0 110.679 175.743 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -65.87 139.31 58.28 Favored 'General case' 0 N--CA 1.472 0.666 0 O-C-N 121.61 -0.681 . . . . 0.0 112.085 -172.017 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 7' ' ' CYS . . . . . . . . . . . . . 2.5 t -147.34 152.05 37.57 Favored 'General case' 0 CA--C 1.54 0.596 0 C-N-CA 123.596 0.758 . . . . 0.0 111.771 177.534 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 8' ' ' GLY . . . . . . . . . . . . . . . 55.11 -129.51 45.9 Favored Glycine 0 CA--C 1.535 1.296 0 C-N-CA 123.925 0.774 . . . . 0.0 113.339 -179.388 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 9' ' ' SER . . . . . . . . . . . . . 18.4 m -56.93 -37.49 71.56 Favored 'General case' 0 N--CA 1.472 0.643 0 C-N-CA 124.759 1.224 . . . . 0.0 113.419 178.49 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 10' ' ' HIS . . . . . . . . . . . . . 28.0 m80 -66.55 -30.34 70.62 Favored 'General case' 0 N--CA 1.471 0.589 0 O-C-N 121.121 -0.987 . . . . 0.0 112.136 177.111 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -72.23 -50.59 26.17 Favored 'General case' 0 CA--C 1.536 0.404 0 C-N-CA 124.331 1.052 . . . . 0.0 111.201 174.631 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 1.3 p -67.06 -36.81 77.99 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.647 0 N-CA-C 112.187 0.44 . . . . 0.0 112.187 -175.011 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 40.9 mt-10 -68.75 -40.84 79.59 Favored 'General case' 0 CA--C 1.538 0.515 0 O-C-N 121.603 -0.686 . . . . 0.0 112.289 173.546 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -64.71 -38.72 91.95 Favored 'General case' 0 CA--C 1.54 0.594 0 O-C-N 121.267 -0.896 . . . . 0.0 112.719 179.044 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 2.1 pp -76.17 -34.25 59.35 Favored 'General case' 0 N--CA 1.469 0.479 0 O-C-N 121.734 -0.604 . . . . 0.0 111.237 177.455 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 16' ' ' TYR . . . . . . . . . . . . . 2.2 t80 -60.14 -39.4 86.17 Favored 'General case' 0 CA--C 1.54 0.585 0 C-N-CA 123.656 0.782 . . . . 0.0 111.926 172.399 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 34.1 mt -67.05 -47.2 72.07 Favored 'General case' 0 N--CA 1.465 0.32 0 C-N-CA 123.356 0.662 . . . . 0.0 111.447 -178.038 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 18' ' ' VAL . . . . . . . . . . . . . 7.9 p -72.88 -31.63 36.83 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.605 0 N-CA-C 112.672 0.619 . . . . 0.0 112.672 178.79 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 19' ' ' CYS . . . . . . . . . . . . . 4.2 t -76.51 -25.77 54.53 Favored 'General case' 0 CA--C 1.544 0.734 0 O-C-N 121.647 -0.658 . . . . 0.0 112.687 177.809 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . -75.94 -10.31 85.11 Favored Glycine 0 CA--C 1.541 1.682 0 C-N-CA 124.93 1.252 . . . . 0.0 114.358 165.108 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 21' ' ' GLU . . . . . 0.431 ' HG2' ' H ' ' B' ' 22' ' ' ARG . 9.6 tt0 -99.68 -150.77 0.38 Allowed 'General case' 0 CA--C 1.555 1.144 0 C-N-CA 126.129 1.772 . . . . 0.0 110.453 173.76 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 22' ' ' ARG . . . . . 0.431 ' H ' ' HG2' ' B' ' 21' ' ' GLU . 12.2 mmt180 48.37 34.85 5.0 Favored 'General case' 0 CA--C 1.544 0.724 0 C-N-CA 127.605 2.362 . . . . 0.0 115.776 173.953 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . -74.32 -168.1 18.45 Favored Glycine 0 CA--C 1.536 1.366 0 C-N-CA 125.071 1.32 . . . . 0.0 113.801 176.139 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 24' ' ' DHI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' B' B ' 25' ' ' PHE . . . . . . . . . . . . . 13.7 m-85 -74.88 -13.7 60.58 Favored 'General case' 0 N--CA 1.469 0.507 0 C-N-CA 126.735 2.014 . . . . 0.0 114.996 -178.772 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 26' ' ' TYR . . . . . . . . . . . . . 69.2 m-85 -105.26 137.28 43.31 Favored 'General case' 0 C--N 1.323 -0.568 0 C-N-CA 127.462 2.305 . . . . 0.0 112.068 -176.714 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 27' ' ' THR . . . . . . . . . . . . . 51.6 m -138.2 110.27 8.36 Favored Pre-proline 0 N--CA 1.476 0.838 0 C-N-CA 124.914 1.286 . . . . 0.0 109.856 178.584 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 28' ' ' PRO . . . . . . . . . . . . . 71.7 Cg_endo -72.83 154.03 53.55 Favored 'Trans proline' 0 CA--C 1.54 0.777 0 C-N-CA 123.076 2.518 . . . . 0.0 112.353 177.179 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 1.2 tmmt? -148.84 -47.48 0.15 Allowed 'General case' 0 CA--C 1.544 0.75 0 C-N-CA 126.472 1.909 . . . . 0.0 112.362 176.939 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 30' ' ' THR . . . . . . . . . . . . . 56.1 m . . . . . 0 N--CA 1.484 1.265 0 C-N-CA 130.812 3.645 . . . . 0.0 109.713 -9.009 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.603 0 CA-C-O 121.07 0.261 . . . . 0.0 112.646 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 15.2 tt -74.52 -45.71 44.86 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.869 0 C-N-CA 125.431 1.492 . . . . 0.0 114.145 -176.182 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 8.3 p -62.6 -44.94 99.83 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.955 0 O-C-N 121.422 -0.799 . . . . 0.0 112.485 -168.419 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 12.3 pt-20 -69.38 -17.59 63.69 Favored 'General case' 0 CA--C 1.548 0.873 0 N-CA-C 113.776 1.028 . . . . 0.0 113.776 176.357 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -88.86 -29.0 19.99 Favored 'General case' 0 N--CA 1.47 0.543 0 C-N-CA 125.181 1.393 . . . . 0.0 113.002 176.828 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 95.0 m -113.65 -30.55 6.77 Favored 'General case' 0 CA--C 1.543 0.688 0 N-CA-C 114.726 1.38 . . . . 0.0 114.726 -172.819 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 14.9 t -82.61 -27.78 31.23 Favored 'General case' 0 N--CA 1.474 0.759 0 CA-C-N 119.663 1.119 . . . . 0.0 113.182 -169.291 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 6.6 t -109.25 -14.6 14.45 Favored 'General case' 0 N--CA 1.48 1.065 0 C-N-CA 125.404 1.482 . . . . 0.0 113.874 -177.679 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 61.3 p -149.78 165.52 32.22 Favored 'General case' 0 N--CA 1.471 0.579 0 C-N-CA 126.173 1.789 . . . . 0.0 111.385 179.54 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 35.7 mt -66.69 137.65 24.44 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.819 0 O-C-N 121.357 -0.839 . . . . 0.0 111.401 -178.061 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 14.6 p -130.58 156.89 44.09 Favored 'General case' 0 CA--C 1.542 0.653 0 C-N-CA 124.327 1.051 . . . . 0.0 112.345 169.881 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 66.1 m -118.84 164.86 14.78 Favored 'General case' 0 N--CA 1.475 0.814 0 C-N-CA 124.664 1.186 . . . . 0.0 113.912 -164.231 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 81.1 mt -51.31 -40.29 58.69 Favored 'General case' 0 N--CA 1.474 0.765 0 C-N-CA 125.752 1.621 . . . . 0.0 112.709 -178.78 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 53.5 m-85 -63.1 -31.32 72.44 Favored 'General case' 0 CA--C 1.54 0.587 0 C-N-CA 124.235 1.014 . . . . 0.0 112.994 179.961 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 39.8 mt-30 -80.36 -43.57 20.89 Favored 'General case' 0 N--CA 1.468 0.451 0 C-N-CA 124.5 1.12 . . . . 0.0 110.422 174.585 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 67.6 mt -60.42 -35.88 76.84 Favored 'General case' 0 CA--C 1.544 0.726 0 C-N-CA 124.415 1.086 . . . . 0.0 112.808 179.553 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 42.0 mt-10 -63.6 -41.42 98.33 Favored 'General case' 0 N--CA 1.474 0.768 0 O-C-N 121.283 -0.886 . . . . 0.0 112.644 169.607 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 85.8 m-20 -68.09 -32.75 73.29 Favored 'General case' 0 CA--C 1.542 0.668 0 O-C-N 121.583 -0.698 . . . . 0.0 112.189 179.637 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 25.6 m-85 -70.97 -29.44 65.44 Favored 'General case' 0 N--CA 1.47 0.571 0 N-CA-C 112.825 0.676 . . . . 0.0 112.825 173.057 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 35.2 t -72.35 -43.86 63.45 Favored 'General case' 0 CA--C 1.545 0.76 0 O-C-N 121.669 -0.645 . . . . 0.0 111.872 171.368 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 50.6 t-20 . . . . . 0 CA--C 1.542 0.641 0 C-N-CA 125.153 1.381 . . . . 0.0 111.473 179.556 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' B' B ' 1' ' ' PHE . . . . . . . . . . . . . 33.3 t80 . . . . . 0 CA--C 1.539 0.528 0 N-CA-C 112.013 0.375 . . . . 0.0 112.013 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' B' B ' 2' ' ' VAL . . . . . . . . . . . . . 17.3 m -135.03 139.23 47.64 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.771 0 C-N-CA 125.309 1.444 . . . . 0.0 109.326 163.524 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 3' ' ' ASN . . . . . . . . . . . . . 40.8 p30 -63.97 150.1 45.88 Favored 'General case' 0 CA--C 1.533 0.296 0 CA-C-O 123.144 1.45 . . . . 0.0 113.267 176.274 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 4' ' ' GLN . . . . . . . . . . . . . 7.4 pt20 -167.52 166.79 14.04 Favored 'General case' 0 N--CA 1.444 -0.739 0 C-N-CA 127.521 2.328 . . . . 0.0 108.005 -170.742 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 5' ' ' HIS . . . . . 0.486 ' H ' ' CD2' ' B' ' 5' ' ' HIS . 12.9 m-70 -63.38 132.27 50.95 Favored 'General case' 0 C--N 1.321 -0.666 0 C-N-CA 125.572 1.549 . . . . 0.0 109.257 164.19 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 63.5 mt -138.02 128.34 26.16 Favored 'General case' 0 N--CA 1.467 0.422 0 C-N-CA 125.309 1.444 . . . . 0.0 110.787 -172.023 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 7' ' ' CYS . . . . . . . . . . . . . 1.8 t -152.61 160.76 43.18 Favored 'General case' 0 CA--C 1.542 0.635 0 C-N-CA 123.319 0.648 . . . . 0.0 112.166 -179.196 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 8' ' ' GLY . . . . . . . . . . . . . . . 58.72 -135.82 51.64 Favored Glycine 0 CA--C 1.536 1.369 0 C-N-CA 123.704 0.669 . . . . 0.0 113.09 -179.416 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 9' ' ' SER . . . . . . . . . . . . . 9.6 t -59.74 -37.78 79.9 Favored 'General case' 0 N--CA 1.474 0.728 0 O-C-N 121.965 -0.727 . . . . 0.0 112.424 177.984 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 10' ' ' HIS . . . . . . . . . . . . . 33.5 m80 -60.57 -36.18 77.88 Favored 'General case' 0 N--CA 1.473 0.712 0 O-C-N 121.513 -0.742 . . . . 0.0 112.631 179.47 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 47.2 tp -67.46 -42.33 83.21 Favored 'General case' 0 CA--C 1.536 0.426 0 C-N-CA 124.186 0.995 . . . . 0.0 112.507 175.947 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 68.8 t -67.61 -42.91 87.14 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.672 0 C-N-CA 123.803 0.841 . . . . 0.0 110.732 176.428 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 33.5 mt-10 -64.31 -42.01 96.56 Favored 'General case' 0 CA--C 1.537 0.478 0 C-N-CA 124.311 1.044 . . . . 0.0 111.995 177.021 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -63.62 -38.71 92.14 Favored 'General case' 0 CA--C 1.539 0.541 0 O-C-N 121.402 -0.811 . . . . 0.0 113.169 -179.92 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 3.9 pp -78.89 -31.85 45.58 Favored 'General case' 0 N--CA 1.47 0.531 0 CA-C-N 118.559 0.618 . . . . 0.0 111.945 177.151 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 16' ' ' TYR . . . . . . . . . . . . . 3.0 t80 -62.82 -40.1 96.37 Favored 'General case' 0 CA--C 1.539 0.549 0 C-N-CA 123.796 0.838 . . . . 0.0 111.861 171.454 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 30.0 mt -68.86 -45.68 70.44 Favored 'General case' 0 N--CA 1.467 0.4 0 C-N-CA 123.715 0.806 . . . . 0.0 111.846 -176.899 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 18' ' ' VAL . . . . . . . . . . . . . 10.6 p -73.26 -33.78 42.23 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.609 0 C-N-CA 122.932 0.493 . . . . 0.0 112.258 -179.926 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 19' ' ' CYS . . . . . . . . . . . . . 9.2 t -81.11 -31.63 34.19 Favored 'General case' 0 CA--C 1.541 0.629 0 N-CA-C 112.814 0.672 . . . . 0.0 112.814 -178.436 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . -79.42 -6.01 89.06 Favored Glycine 0 CA--C 1.536 1.384 0 C-N-CA 125.222 1.392 . . . . 0.0 115.167 175.218 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 37.7 tt0 -59.48 138.77 57.57 Favored 'General case' 0 CA--C 1.544 0.725 0 CA-C-N 118.902 1.351 . . . . 0.0 112.198 179.86 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 22' ' ' ARG . . . . . . . . . . . . . 15.7 mmm180 -76.37 -25.97 55.17 Favored 'General case' 0 N--CA 1.478 0.958 0 N-CA-C 114.674 1.361 . . . . 0.0 114.674 -163.981 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . 66.83 -169.3 34.85 Favored Glycine 0 CA--C 1.538 1.521 0 C-N-CA 124.362 0.982 . . . . 0.0 113.862 -175.395 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 24' ' ' DHI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' B' B ' 25' ' ' PHE . . . . . . . . . . . . . 32.0 m-85 -72.31 -176.34 1.81 Allowed 'General case' 0 CA--C 1.546 0.794 0 C-N-CA 125.938 1.695 . . . . 0.0 112.134 174.616 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 26' ' ' TYR . . . . . . . . . . . . . 14.1 m-85 -76.81 9.09 3.08 Favored 'General case' 0 N--CA 1.48 1.07 0 N-CA-C 116.616 2.08 . . . . 0.0 116.616 -169.637 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 27' ' ' THR . . . . . 0.52 ' H ' ' HD2' ' B' ' 28' ' ' PRO . 85.4 m -123.0 -58.2 0.03 OUTLIER Pre-proline 0 N--CA 1.48 1.048 0 C-N-CA 127.552 2.341 . . . . 0.0 113.757 178.231 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 28' ' ' PRO . . . . . 0.52 ' HD2' ' H ' ' B' ' 27' ' ' THR . 70.8 Cg_endo -68.32 159.62 52.52 Favored 'Trans proline' 0 CA--C 1.541 0.851 0 C-N-CA 123.169 2.579 . . . . 0.0 113.234 177.127 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 58.9 mtmt -139.93 154.24 47.16 Favored 'General case' 0 N--CA 1.475 0.815 0 C-N-CA 125.861 1.664 . . . . 0.0 111.717 179.952 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 30' ' ' THR . . . . . . . . . . . . . 18.3 p . . . . . 0 C--O 1.252 1.226 0 C-N-CA 126.267 1.827 . . . . 0.0 113.351 175.571 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.479 1.532 0 N-CA-C 112.383 -0.287 . . . . 0.0 112.383 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 6.2 tp -55.9 -41.36 66.79 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.008 0 C-N-CA 125.553 1.541 . . . . 0.0 114.465 -170.23 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 8.3 t -71.14 -54.52 17.23 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.01 0 O-C-N 121.169 -0.957 . . . . 0.0 111.279 -176.444 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 24.3 pt-20 -68.42 -9.39 48.15 Favored 'General case' 0 CA--C 1.542 0.665 0 C-N-CA 125.203 1.401 . . . . 0.0 113.992 -179.353 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 42.2 mt-30 -98.42 -42.62 7.26 Favored 'General case' 0 CA--C 1.54 0.562 0 C-N-CA 124.776 1.23 . . . . 0.0 112.304 172.696 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 78.2 m -99.32 -11.51 21.17 Favored 'General case' 0 CA--C 1.544 0.729 0 N-CA-C 115.97 1.841 . . . . 0.0 115.97 -175.47 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 43.2 t -90.68 -25.1 20.24 Favored 'General case' 0 N--CA 1.477 0.916 0 CA-C-N 119.835 1.198 . . . . 0.0 112.635 175.477 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 12.0 t -80.5 -31.5 37.18 Favored 'General case' 0 N--CA 1.478 0.933 0 C-N-CA 124.532 1.133 . . . . 0.0 113.317 177.69 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 84.0 p -153.04 168.89 24.35 Favored 'General case' 0 N--CA 1.473 0.681 0 C-N-CA 125.691 1.596 . . . . 0.0 111.63 177.365 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 55.4 mt -58.32 139.39 18.06 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.823 0 C-N-CA 124.344 1.057 . . . . 0.0 111.951 -177.974 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 22.8 m -112.85 135.25 53.82 Favored 'General case' 0 CA--C 1.536 0.422 0 C-N-CA 124.331 1.052 . . . . 0.0 111.477 164.769 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 48.5 m -86.23 165.65 16.33 Favored 'General case' 0 N--CA 1.468 0.462 0 C-N-CA 125.199 1.399 . . . . 0.0 112.433 175.181 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . 0.488 HD12 ' H ' ' A' ' 13' ' ' LEU . 6.9 mp -47.29 -51.39 19.27 Favored 'General case' 0 N--CA 1.473 0.691 0 C-N-CA 124.812 1.245 . . . . 0.0 111.012 170.188 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 35.2 m-85 -60.57 -20.66 61.1 Favored 'General case' 0 CA--C 1.541 0.606 0 C-N-CA 127.018 2.127 . . . . 0.0 114.452 -179.258 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 44.8 mt-30 -89.75 -50.2 6.2 Favored 'General case' 0 N--CA 1.468 0.461 0 C-N-CA 125.269 1.427 . . . . 0.0 111.001 174.336 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 94.5 mt -59.67 -33.68 71.87 Favored 'General case' 0 CA--C 1.541 0.601 0 C-N-CA 124.33 1.052 . . . . 0.0 112.954 -179.442 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 35.8 mt-10 -62.0 -21.25 64.7 Favored 'General case' 0 CA--C 1.544 0.745 0 N-CA-C 114.597 1.332 . . . . 0.0 114.597 177.799 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 52.9 m-80 -72.33 -39.63 68.02 Favored 'General case' 0 N--CA 1.475 0.782 0 CA-C-N 119.674 1.125 . . . . 0.0 111.718 175.63 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 79.7 m-85 -67.91 -23.13 65.06 Favored 'General case' 0 CA--C 1.541 0.632 0 C-N-CA 124.594 1.158 . . . . 0.0 112.513 178.389 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 73.1 m -73.77 0.56 12.7 Favored 'General case' 0 CA--C 1.545 0.756 0 C-N-CA 125.728 1.611 . . . . 0.0 114.731 172.227 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 60.1 t30 . . . . . 0 CA--C 1.539 0.526 0 C-N-CA 126.239 1.815 . . . . 0.0 113.717 165.314 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' B' B ' 1' ' ' PHE . . . . . . . . . . . . . 74.3 t80 . . . . . 0 CA--C 1.54 0.591 0 N-CA-C 112.694 0.627 . . . . 0.0 112.694 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' B' B ' 2' ' ' VAL . . . . . . . . . . . . . 17.5 m -132.97 139.99 48.3 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.697 0 C-N-CA 125.58 1.552 . . . . 0.0 109.693 165.055 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 3' ' ' ASN . . . . . . . . . . . . . 5.9 m-20 -48.16 139.54 8.24 Favored 'General case' 0 CA--C 1.54 0.562 0 N-CA-C 114.1 1.148 . . . . 0.0 114.1 -173.165 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 4' ' ' GLN . . . . . . . . . . . . . 6.5 pt20 -168.63 166.32 11.89 Favored 'General case' 0 CA--C 1.539 0.55 0 C-N-CA 126.364 1.865 . . . . 0.0 109.772 176.611 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 5' ' ' HIS . . . . . . . . . . . . . 21.6 m-70 -70.93 140.47 50.97 Favored 'General case' 0 N--CA 1.472 0.66 0 C-N-CA 124.802 1.241 . . . . 0.0 109.787 162.736 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 75.8 mt -140.53 125.47 18.33 Favored 'General case' 0 N--CA 1.47 0.549 0 C-N-CA 124.232 1.013 . . . . 0.0 112.673 -167.198 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 7' ' ' CYS . . . . . . . . . . . . . 87.2 m -131.99 -93.64 0.37 Allowed 'General case' 0 CA--C 1.546 0.815 0 N-CA-C 114.023 1.12 . . . . 0.0 114.023 -167.575 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 8' ' ' GLY . . . . . . . . . . . . . . . -100.74 118.01 6.05 Favored Glycine 0 N--CA 1.471 0.991 0 C-N-CA 124.654 1.121 . . . . 0.0 112.898 -173.143 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 9' ' ' SER . . . . . . . . . . . . . 69.9 m 57.27 -35.13 0.04 OUTLIER 'General case' 0 N--CA 1.478 0.949 0 C-N-CA 129.515 3.126 . . . . 0.0 115.646 -170.815 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 10' ' ' HIS . . . . . . . . . . . . . 35.2 m170 -55.72 -39.96 71.79 Favored 'General case' 0 N--CA 1.47 0.555 0 C-N-CA 125.804 1.642 . . . . 0.0 111.511 174.335 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 63.5 tp -62.21 -37.7 86.34 Favored 'General case' 0 CA--C 1.538 0.485 0 C-N-CA 126.158 1.783 . . . . 0.0 113.545 177.179 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 41.0 t -75.78 -42.57 40.42 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.67 0 C-N-CA 123.644 0.777 . . . . 0.0 110.356 176.616 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 50.2 mt-10 -61.72 -41.95 98.3 Favored 'General case' 0 CA--C 1.537 0.449 0 C-N-CA 123.388 0.675 . . . . 0.0 112.1 175.804 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -62.65 -42.63 99.71 Favored 'General case' 0 CA--C 1.538 0.498 0 O-C-N 121.424 -0.797 . . . . 0.0 113.063 -179.165 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 15' ' ' LEU . . . . . 0.434 ' HA ' HG12 ' B' ' 18' ' ' VAL . 4.1 pp -76.22 -32.29 58.87 Favored 'General case' 0 CA--C 1.538 0.492 0 O-C-N 122.173 -0.329 . . . . 0.0 111.47 178.773 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 16' ' ' TYR . . . . . . . . . . . . . 1.2 t80 -61.14 -43.92 98.13 Favored 'General case' 0 CA--C 1.538 0.518 0 O-C-N 121.216 -0.928 . . . . 0.0 111.552 169.346 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 29.6 mt -67.89 -42.81 80.65 Favored 'General case' 0 CA--C 1.533 0.321 0 C-N-CA 123.681 0.792 . . . . 0.0 112.366 -175.574 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 18' ' ' VAL . . . . . 0.434 HG12 ' HA ' ' B' ' 15' ' ' LEU . 9.3 p -75.56 -28.02 19.48 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.633 0 N-CA-C 112.671 0.619 . . . . 0.0 112.671 -179.017 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 19' ' ' CYS . . . . . . . . . . . . . 71.3 m -99.0 -22.18 15.86 Favored 'General case' 0 CA--C 1.542 0.65 0 N-CA-C 115.111 1.523 . . . . 0.0 115.111 -177.74 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . 75.6 15.02 81.51 Favored Glycine 0 CA--C 1.537 1.455 0 C-N-CA 125.292 1.425 . . . . 0.0 115.112 -178.498 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 3.3 mm-40 -141.72 159.86 41.36 Favored 'General case' 0 N--CA 1.475 0.799 0 CA-C-N 118.869 1.335 . . . . 0.0 114.364 -173.497 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 22' ' ' ARG . . . . . . . . . . . . . 10.3 mmm180 -114.73 -23.91 8.97 Favored 'General case' 0 N--CA 1.472 0.628 0 C-N-CA 128.309 2.644 . . . . 0.0 112.957 173.691 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . -73.51 -28.26 65.95 Favored Glycine 0 CA--C 1.533 1.189 0 N-CA-C 116.037 1.175 . . . . 0.0 116.037 -165.352 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 24' ' ' DHI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' B' B ' 25' ' ' PHE . . . . . . . . . . . . . 46.2 m-85 -63.85 153.09 37.84 Favored 'General case' 0 CA--C 1.541 0.597 0 C-N-CA 125.743 1.617 . . . . 0.0 113.929 -172.985 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 26' ' ' TYR . . . . . . . . . . . . . 49.7 m-85 -77.58 147.1 35.85 Favored 'General case' 0 CA--C 1.535 0.386 0 N-CA-C 115.116 1.525 . . . . 0.0 115.116 -176.778 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 27' ' ' THR . . . . . . . . . . . . . 60.2 p -126.9 144.96 52.0 Favored Pre-proline 0 CA--C 1.539 0.541 0 C-N-CA 126.17 1.788 . . . . 0.0 109.296 154.092 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 28' ' ' PRO . . . . . . . . . . . . . 47.0 Cg_endo -65.86 125.7 14.69 Favored 'Trans proline' 0 CA--C 1.539 0.764 0 C-N-CA 123.095 2.53 . . . . 0.0 111.412 179.163 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 7.5 ptpp? -141.58 15.36 2.17 Favored 'General case' 0 N--CA 1.481 1.08 0 C-N-CA 125.5 1.52 . . . . 0.0 114.329 -172.518 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 30' ' ' THR . . . . . . . . . . . . . 16.6 m . . . . . 0 C--O 1.254 1.298 0 C-N-CA 126.501 1.92 . . . . 0.0 112.518 -177.097 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.482 1.727 0 N-CA-C 111.563 -0.615 . . . . 0.0 111.563 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 8.7 tt -70.08 -37.96 73.63 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.993 0 C-N-CA 124.034 0.933 . . . . 0.0 112.892 -179.739 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 33.8 t -68.74 136.49 26.28 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.555 0 C-N-CA 123.605 0.762 . . . . 0.0 109.825 172.487 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 42.7 mt-10 58.74 15.11 3.54 Favored 'General case' 0 CA--C 1.549 0.938 0 C-N-CA 125.786 1.634 . . . . 0.0 115.3 -166.396 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 49.3 tp60 -90.11 -73.47 0.52 Allowed 'General case' 0 N--CA 1.471 0.594 0 O-C-N 121.202 -0.936 . . . . 0.0 109.193 155.103 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 2.7 t -85.42 -10.52 56.1 Favored 'General case' 0 CA--C 1.543 0.702 0 N-CA-C 114.418 1.266 . . . . 0.0 114.418 -163.61 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 8.0 t -76.05 -13.95 60.21 Favored 'General case' 0 CA--C 1.55 0.957 0 O-C-N 121.418 -0.801 . . . . 0.0 112.674 173.304 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 13.9 t -128.2 -18.12 4.16 Favored 'General case' 0 N--CA 1.48 1.038 0 C-N-CA 125.671 1.588 . . . . 0.0 113.929 -177.227 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 94.1 p -135.76 168.12 19.88 Favored 'General case' 0 N--CA 1.473 0.68 0 C-N-CA 125.9 1.68 . . . . 0.0 111.818 177.51 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 35.4 mt -77.84 137.68 21.77 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.614 0 O-C-N 121.184 -0.947 . . . . 0.0 110.493 173.458 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 29.1 p -119.09 159.95 22.97 Favored 'General case' 0 CA--C 1.543 0.711 0 C-N-CA 124.889 1.276 . . . . 0.0 112.477 171.979 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 20.5 m -119.59 160.24 22.83 Favored 'General case' 0 N--CA 1.473 0.685 0 C-N-CA 126.055 1.742 . . . . 0.0 111.391 -176.516 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 2.3 pt? -53.67 -35.77 61.4 Favored 'General case' 0 CA--C 1.542 0.664 0 N-CA-C 113.341 0.867 . . . . 0.0 113.341 171.265 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 32.9 m-85 -61.54 -16.83 51.34 Favored 'General case' 0 N--CA 1.472 0.629 0 C-N-CA 125.663 1.585 . . . . 0.0 114.178 175.719 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 6.9 mm-40 -102.67 -49.35 3.85 Favored 'General case' 0 CA--C 1.536 0.434 0 C-N-CA 125.104 1.361 . . . . 0.0 111.653 170.205 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 88.7 mt -60.93 -32.76 72.25 Favored 'General case' 0 N--CA 1.47 0.544 0 N-CA-C 114.474 1.287 . . . . 0.0 114.474 -175.041 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 38.4 mt-10 -66.39 -23.71 66.37 Favored 'General case' 0 CA--C 1.543 0.699 0 N-CA-C 113.18 0.807 . . . . 0.0 113.18 178.513 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 23.2 m-80 -74.96 -38.53 61.68 Favored 'General case' 0 N--CA 1.473 0.698 0 O-C-N 121.269 -0.894 . . . . 0.0 111.38 175.036 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 23.2 m-85 -69.68 -9.22 53.45 Favored 'General case' 0 CA--C 1.543 0.674 0 C-N-CA 124.508 1.123 . . . . 0.0 113.567 178.975 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 32.5 t -62.72 -26.01 68.46 Favored 'General case' 0 CA--C 1.543 0.701 0 C-N-CA 124.798 1.239 . . . . 0.0 113.233 170.169 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 25.7 t-20 . . . . . 0 CA--C 1.544 0.736 0 C-N-CA 123.777 0.831 . . . . 0.0 112.201 178.814 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' B' B ' 1' ' ' PHE . . . . . . . . . . . . . 63.0 t80 . . . . . 0 CA--C 1.541 0.606 0 N-CA-C 112.262 0.467 . . . . 0.0 112.262 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' B' B ' 2' ' ' VAL . . . . . . . . . . . . . 17.5 m -134.23 134.63 55.05 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.837 0 C-N-CA 125.108 1.363 . . . . 0.0 110.467 169.178 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 3' ' ' ASN . . . . . . . . . . . . . 8.0 m-20 -63.17 144.07 57.24 Favored 'General case' 0 CA--C 1.534 0.339 0 N-CA-C 113.359 0.874 . . . . 0.0 113.359 -175.565 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 4' ' ' GLN . . . . . . . . . . . . . 7.3 pt20 -170.75 160.65 7.06 Favored 'General case' 0 CA--C 1.54 0.561 0 C-N-CA 126.957 2.103 . . . . 0.0 109.348 -177.487 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 5' ' ' HIS . . . . . . . . . . . . . 28.5 m-70 -69.52 142.53 53.65 Favored 'General case' 0 CA--C 1.543 0.711 0 C-N-CA 124.4 1.08 . . . . 0.0 110.304 163.176 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 56.3 mt -143.27 136.76 28.33 Favored 'General case' 0 N--CA 1.473 0.712 0 C-N-CA 125.509 1.524 . . . . 0.0 111.303 -175.727 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 7' ' ' CYS . . . . . . . . . . . . . 4.4 t -152.08 159.4 43.68 Favored 'General case' 0 CA--C 1.541 0.617 0 N-CA-C 112.849 0.685 . . . . 0.0 112.849 -178.954 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 8' ' ' GLY . . . . . . . . . . . . . . . 57.72 -136.79 50.42 Favored Glycine 0 CA--C 1.534 1.262 0 C-N-CA 124.134 0.873 . . . . 0.0 113.246 177.704 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 9' ' ' SER . . . . . . . . . . . . . 19.1 m -58.91 -34.98 72.31 Favored 'General case' 0 N--CA 1.472 0.658 0 C-N-CA 123.77 0.828 . . . . 0.0 112.796 177.691 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 10' ' ' HIS . . . . . . . . . . . . . 31.6 m170 -63.61 -35.16 79.61 Favored 'General case' 0 N--CA 1.472 0.643 0 C-N-CA 123.566 0.746 . . . . 0.0 112.405 178.515 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 42.1 tp -67.01 -43.32 83.2 Favored 'General case' 0 CA--C 1.539 0.531 0 C-N-CA 124.121 0.968 . . . . 0.0 112.0 175.279 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 58.7 t -67.87 -41.52 84.98 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.84 0 C-N-CA 124.11 0.964 . . . . 0.0 111.252 178.346 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 44.6 mt-10 -66.34 -44.47 83.19 Favored 'General case' 0 N--CA 1.467 0.419 0 O-C-N 121.455 -0.778 . . . . 0.0 111.943 174.361 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -64.29 -38.63 91.74 Favored 'General case' 0 CA--C 1.538 0.512 0 O-C-N 121.259 -0.9 . . . . 0.0 112.999 -177.639 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 15' ' ' LEU . . . . . 0.405 ' HA ' HG12 ' B' ' 18' ' ' VAL . 3.3 pp -73.04 -34.27 66.21 Favored 'General case' 0 N--CA 1.47 0.549 0 CA-C-N 118.9 0.773 . . . . 0.0 111.734 178.485 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 16' ' ' TYR . . . . . . . . . . . . . 1.9 t80 -63.98 -44.4 92.83 Favored 'General case' 0 CA--C 1.539 0.533 0 C-N-CA 124.007 0.923 . . . . 0.0 111.129 172.0 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 50.0 mt -69.31 -43.32 73.99 Favored 'General case' 0 CA--C 1.535 0.378 0 C-N-CA 124.172 0.989 . . . . 0.0 112.734 -178.579 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 18' ' ' VAL . . . . . 0.405 HG12 ' HA ' ' B' ' 15' ' ' LEU . 3.8 p -73.86 -28.84 24.76 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.791 0 C-N-CA 122.993 0.517 . . . . 0.0 112.177 -178.544 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 19' ' ' CYS . . . . . . . . . . . . . 43.1 t -76.85 -34.44 57.84 Favored 'General case' 0 CA--C 1.54 0.592 0 C-N-CA 124.348 1.059 . . . . 0.0 112.743 171.57 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . 77.06 14.57 82.49 Favored Glycine 0 CA--C 1.539 1.537 0 C-N-CA 124.843 1.211 . . . . 0.0 114.087 -173.942 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 33.8 tt0 -150.51 148.1 28.29 Favored 'General case' 0 CA--C 1.541 0.618 0 C-N-CA 125.732 1.613 . . . . 0.0 111.001 -176.366 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 22' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -77.36 -21.03 53.9 Favored 'General case' 0 N--CA 1.48 1.053 0 N-CA-C 114.713 1.375 . . . . 0.0 114.713 -178.399 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . 60.36 19.8 53.74 Favored Glycine 0 CA--C 1.536 1.391 0 N-CA-C 117.695 1.838 . . . . 0.0 117.695 161.925 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 24' ' ' DHI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' B' B ' 25' ' ' PHE . . . . . . . . . . . . . 18.7 m-85 -101.63 159.33 15.4 Favored 'General case' 0 CA--C 1.539 0.552 0 C-N-CA 124.973 1.309 . . . . 0.0 112.874 -177.341 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 26' ' ' TYR . . . . . . . . . . . . . 77.3 m-85 -75.71 145.64 40.73 Favored 'General case' 0 CA--C 1.538 0.495 0 C-N-CA 123.891 0.877 . . . . 0.0 111.684 173.786 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 27' ' ' THR . . . . . . . . . . . . . 16.5 p -140.11 98.75 7.49 Favored Pre-proline 0 N--CA 1.474 0.773 0 C-N-CA 125.176 1.39 . . . . 0.0 110.636 -173.682 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 28' ' ' PRO . . . . . . . . . . . . . 62.8 Cg_exo -60.68 151.55 75.5 Favored 'Trans proline' 0 CA--C 1.539 0.765 0 C-N-CA 123.55 2.834 . . . . 0.0 114.023 178.965 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 59.9 mtpt -136.97 153.97 50.55 Favored 'General case' 0 N--CA 1.475 0.797 0 C-N-CA 126.338 1.855 . . . . 0.0 111.365 178.927 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 30' ' ' THR . . . . . . . . . . . . . 20.0 m . . . . . 0 C--O 1.252 1.213 0 C-N-CA 126.134 1.774 . . . . 0.0 112.153 178.243 . . . . . . . . 0 0 . 1 . 021 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.615 0 N-CA-C 112.536 -0.225 . . . . 0.0 112.536 . . . . . . . . . 0 0 . 1 . 021 nuclear nobuild full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 10.6 tt -64.91 -42.28 94.4 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.898 0 C-N-CA 124.905 1.282 . . . . 0.0 114.334 -174.199 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 8.3 p -66.71 -45.18 88.77 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.987 0 O-C-N 120.912 -1.117 . . . . 0.0 112.607 -170.429 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 16.9 pt-20 -73.68 1.36 10.43 Favored 'General case' 0 CA--C 1.541 0.599 0 C-N-CA 125.125 1.37 . . . . 0.0 114.29 176.004 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 92.8 mt-30 -102.66 -54.82 2.57 Favored 'General case' 0 CA--C 1.538 0.481 0 C-N-CA 125.233 1.413 . . . . 0.0 109.584 168.357 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 75.8 m -75.11 -22.48 58.2 Favored 'General case' 0 CA--C 1.542 0.649 0 N-CA-C 114.135 1.161 . . . . 0.0 114.135 -175.276 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 5.9 t -83.36 -12.71 56.25 Favored 'General case' 0 CA--C 1.548 0.891 0 O-C-N 121.322 -0.861 . . . . 0.0 112.84 178.118 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 13.8 t -114.95 -25.64 8.09 Favored 'General case' 0 N--CA 1.481 1.113 0 C-N-CA 125.19 1.396 . . . . 0.0 114.329 -179.302 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 97.2 p -136.94 159.83 40.71 Favored 'General case' 0 N--CA 1.473 0.699 0 C-N-CA 125.252 1.421 . . . . 0.0 111.705 168.239 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 45.2 mt -64.59 140.64 19.37 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.816 0 O-C-N 121.133 -0.979 . . . . 0.0 112.097 -172.575 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 64.3 m -120.26 106.38 11.85 Favored 'General case' 0 CA--C 1.534 0.335 0 C-N-CA 124.721 1.208 . . . . 0.0 110.293 169.348 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 59.8 m -71.5 164.81 25.12 Favored 'General case' 0 N--CA 1.468 0.436 0 C-N-CA 124.305 1.042 . . . . 0.0 110.81 171.079 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 2.3 pp -57.01 -33.46 67.18 Favored 'General case' 0 CA--C 1.547 0.83 0 O-C-N 121.366 -0.834 . . . . 0.0 112.316 179.097 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 43.7 m-85 -69.11 -26.58 64.98 Favored 'General case' 0 CA--C 1.541 0.632 0 C-N-CA 125.491 1.516 . . . . 0.0 113.72 175.806 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 42.0 mt-30 -79.71 -47.47 15.25 Favored 'General case' 0 N--CA 1.469 0.505 0 C-N-CA 124.278 1.031 . . . . 0.0 110.138 172.213 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 95.7 mt -56.41 -35.67 68.05 Favored 'General case' 0 N--CA 1.474 0.773 0 C-N-CA 124.222 1.009 . . . . 0.0 113.036 176.717 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 5.0 mm-40 -56.06 -37.48 69.33 Favored 'General case' 0 N--CA 1.473 0.723 0 C-N-CA 124.632 1.173 . . . . 0.0 113.659 172.124 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 95.0 m-20 -68.27 -29.9 68.8 Favored 'General case' 0 N--CA 1.47 0.542 0 O-C-N 121.356 -0.84 . . . . 0.0 112.146 -178.087 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 94.0 m-85 -74.58 -26.19 59.76 Favored 'General case' 0 CA--C 1.539 0.55 0 C-N-CA 123.958 0.903 . . . . 0.0 112.665 174.179 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 9.0 t -76.81 -34.33 57.93 Favored 'General case' 0 CA--C 1.545 0.777 0 CA-C-N 118.549 0.613 . . . . 0.0 112.242 170.614 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 N--CA 1.471 0.591 0 C-N-CA 124.902 1.281 . . . . 0.0 112.058 177.782 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' B' B ' 1' ' ' PHE . . . . . . . . . . . . . 43.7 t80 . . . . . 0 CA--C 1.542 0.641 0 N-CA-C 112.091 0.404 . . . . 0.0 112.091 . . . . . . . . . 0 0 . 1 . 021 nuclear nobuild full ' B' B ' 2' ' ' VAL . . . . . . . . . . . . . 47.5 t -136.48 128.74 44.8 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.929 0 C-N-CA 125.339 1.455 . . . . 0.0 109.346 174.456 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' B' B ' 3' ' ' ASN . . . . . . . . . . . . . 94.9 m-20 -58.01 135.35 56.94 Favored 'General case' 0 N--CA 1.47 0.525 0 C-N-CA 123.231 0.612 . . . . 0.0 112.229 178.406 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' B' B ' 4' ' ' GLN . . . . . . . . . . . . . 6.4 pt20 -163.48 166.29 22.84 Favored 'General case' 0 CA--C 1.537 0.455 0 C-N-CA 125.062 1.345 . . . . 0.0 110.557 176.693 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' B' B ' 5' ' ' HIS . . . . . . . . . . . . . 27.9 m-70 -76.59 80.48 3.26 Favored 'General case' 0 CA--C 1.545 0.753 0 C-N-CA 125.358 1.463 . . . . 0.0 110.686 168.728 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 2.7 mm? -60.98 135.32 57.75 Favored 'General case' 0 N--CA 1.474 0.743 0 O-C-N 121.367 -0.833 . . . . 0.0 111.923 -179.996 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' B' B ' 7' ' ' CYS . . . . . . . . . . . . . 7.0 t -150.92 158.14 43.77 Favored 'General case' 0 CA--C 1.541 0.622 0 C-N-CA 123.163 0.585 . . . . 0.0 112.331 -176.591 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' B' B ' 8' ' ' GLY . . . . . . . . . . . . . . . 56.46 -135.33 50.49 Favored Glycine 0 CA--C 1.535 1.321 0 C-N-CA 124.034 0.826 . . . . 0.0 113.735 176.418 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' B' B ' 9' ' ' SER . . . . . . . . . . . . . 36.2 p -64.62 -31.72 73.06 Favored 'General case' 0 N--CA 1.471 0.613 0 C-N-CA 123.991 0.916 . . . . 0.0 113.351 176.379 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' B' B ' 10' ' ' HIS . . . . . . . . . . . . . 32.0 m170 -63.51 -35.12 79.43 Favored 'General case' 0 N--CA 1.472 0.668 0 CA-C-N 118.937 0.79 . . . . 0.0 112.298 177.966 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 63.9 tp -65.35 -44.89 86.28 Favored 'General case' 0 N--CA 1.467 0.384 0 C-N-CA 124.309 1.044 . . . . 0.0 112.166 174.348 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 72.5 t -64.62 -42.66 95.74 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.584 0 C-N-CA 123.849 0.86 . . . . 0.0 110.767 177.579 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 47.4 mt-10 -65.02 -44.59 88.64 Favored 'General case' 0 N--CA 1.468 0.448 0 O-C-N 121.721 -0.612 . . . . 0.0 112.224 175.608 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -63.58 -38.28 90.54 Favored 'General case' 0 CA--C 1.542 0.665 0 O-C-N 121.277 -0.889 . . . . 0.0 112.929 -177.326 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' B' B ' 15' ' ' LEU . . . . . 0.405 ' HA ' HG12 ' B' ' 18' ' ' VAL . 3.6 pp -78.23 -29.99 48.54 Favored 'General case' 0 CA--C 1.541 0.615 0 O-C-N 121.721 -0.612 . . . . 0.0 112.602 177.202 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' B' B ' 16' ' ' TYR . . . . . . . . . . . . . 1.0 OUTLIER -64.51 -41.37 96.46 Favored 'General case' 0 N--CA 1.468 0.47 0 C-N-CA 123.72 0.808 . . . . 0.0 111.326 170.148 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 45.6 mt -68.91 -48.63 62.83 Favored 'General case' 0 CA--C 1.534 0.329 0 C-N-CA 123.726 0.81 . . . . 0.0 111.873 -178.337 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' B' B ' 18' ' ' VAL . . . . . 0.405 HG12 ' HA ' ' B' ' 15' ' ' LEU . 5.9 p -67.05 -34.85 72.44 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.767 0 N-CA-C 111.986 0.365 . . . . 0.0 111.986 -177.501 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' B' B ' 19' ' ' CYS . . . . . . . . . . . . . 6.9 t -88.74 -36.87 15.9 Favored 'General case' 0 CA--C 1.541 0.606 0 N-CA-C 112.838 0.681 . . . . 0.0 112.838 -175.779 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . -64.73 -36.22 92.86 Favored Glycine 0 CA--C 1.533 1.218 0 O-C-N 120.98 -1.075 . . . . 0.0 113.517 178.628 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 37.9 tt0 -67.24 -15.14 63.52 Favored 'General case' 0 CA--C 1.544 0.743 0 C-N-CA 125.386 1.475 . . . . 0.0 114.114 -179.207 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' B' B ' 22' ' ' ARG . . . . . . . . . . . . . 16.4 ptm180 -109.82 -25.75 10.17 Favored 'General case' 0 N--CA 1.475 0.812 0 C-N-CA 125.55 1.54 . . . . 0.0 113.509 169.849 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . -76.87 -29.31 57.5 Favored Glycine 0 CA--C 1.534 1.222 0 C-N-CA 124.898 1.237 . . . . 0.0 115.47 -175.097 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' B' B ' 24' ' ' DHI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 021 nuclear nobuild full ' B' B ' 25' ' ' PHE . . . . . . . . . . . . . 95.5 m-85 -119.99 132.38 55.47 Favored 'General case' 0 CA--C 1.536 0.43 0 C-N-CA 124.436 1.094 . . . . 0.0 112.294 -173.705 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' B' B ' 26' ' ' TYR . . . . . . . . . . . . . 80.9 m-85 -90.96 161.76 15.03 Favored 'General case' 0 N--CA 1.469 0.502 0 C-N-CA 124.917 1.287 . . . . 0.0 111.741 174.549 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' B' B ' 27' ' ' THR . . . . . . . . . . . . . 21.4 p -102.51 100.27 15.5 Favored Pre-proline 0 N--CA 1.474 0.743 0 C-N-CA 125.016 1.326 . . . . 0.0 111.245 178.765 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' B' B ' 28' ' ' PRO . . . . . . . . . . . . . 79.8 Cg_endo -71.39 159.21 52.24 Favored 'Trans proline' 0 CA--C 1.541 0.829 0 C-N-CA 123.11 2.54 . . . . 0.0 112.692 178.564 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 14.5 pttp -146.69 176.32 9.94 Favored 'General case' 0 N--CA 1.474 0.734 0 C-N-CA 125.984 1.714 . . . . 0.0 112.01 178.013 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' B' B ' 30' ' ' THR . . . . . . . . . . . . . 24.3 m . . . . . 0 C--O 1.254 1.327 0 C-N-CA 125.976 1.711 . . . . 0.0 111.857 169.795 . . . . . . . . 0 0 . 1 . 022 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.477 1.411 0 CA-C-O 118.586 -1.119 . . . . 0.0 111.06 . . . . . . . . . 0 0 . 1 . 022 nuclear nobuild full ' A' A ' 2' ' ' ILE . . . . . 0.427 HD12 ' CG ' ' A' ' 19' ' ' TYR 0.256 18.2 tt 45.73 -57.39 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.477 0.917 1 C-N-CA 134.312 5.045 . . . . 0.0 117.296 178.018 . . . . . . . . 4 3 . 1 . 022 nuclear nobuild full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 35.2 t -69.87 138.81 21.34 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.744 0 C-N-CA 125.713 1.605 . . . . 0.0 109.509 169.049 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 43.1 mt-10 54.56 21.85 3.62 Favored 'General case' 0 CA--C 1.549 0.93 0 N-CA-C 114.687 1.365 . . . . 0.0 114.687 -166.028 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 40.2 mt-30 -110.34 -64.38 1.27 Allowed 'General case' 0 N--CA 1.47 0.561 0 C-N-CA 124.619 1.167 . . . . 0.0 109.02 157.987 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -69.71 -18.1 63.51 Favored 'General case' 0 CA--C 1.548 0.891 0 N-CA-C 113.159 0.8 . . . . 0.0 113.159 -177.981 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 28.9 t -90.25 -7.2 54.07 Favored 'General case' 0 CA--C 1.549 0.931 0 C-N-CA 125.117 1.367 . . . . 0.0 113.367 178.61 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 5.7 t -124.06 -24.76 4.32 Favored 'General case' 0 N--CA 1.483 1.197 0 N-CA-C 114.146 1.165 . . . . 0.0 114.146 -179.821 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 92.4 p -126.85 155.41 42.98 Favored 'General case' 0 N--CA 1.47 0.564 0 C-N-CA 125.22 1.408 . . . . 0.0 111.133 165.771 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 15.1 mt -62.09 136.23 25.67 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.693 0 C-N-CA 123.881 0.873 . . . . 0.0 112.428 -170.443 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 58.8 m -80.42 146.47 31.44 Favored 'General case' 0 CA--C 1.537 0.452 0 C-N-CA 124.869 1.268 . . . . 0.0 111.648 173.67 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 55.0 m -130.81 157.64 42.3 Favored 'General case' 0 N--CA 1.47 0.535 0 C-N-CA 125.402 1.481 . . . . 0.0 109.77 171.628 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . 0.566 HD12 ' H ' ' A' ' 13' ' ' LEU . 4.7 mp -51.3 -45.35 62.14 Favored 'General case' 0 N--CA 1.47 0.533 0 C-N-CA 124.469 1.108 . . . . 0.0 111.244 179.548 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 24.8 m-85 -62.09 -37.67 85.96 Favored 'General case' 0 CA--C 1.54 0.563 0 C-N-CA 125.367 1.467 . . . . 0.0 112.94 -179.649 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 10.1 mm-40 -72.38 -42.47 65.18 Favored 'General case' 0 N--CA 1.469 0.491 0 C-N-CA 123.574 0.749 . . . . 0.0 110.733 176.714 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 69.0 mt -65.63 -36.59 84.14 Favored 'General case' 0 CA--C 1.544 0.748 0 C-N-CA 123.986 0.914 . . . . 0.0 112.086 177.236 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 39.0 mt-10 -66.75 -38.18 86.12 Favored 'General case' 0 CA--C 1.542 0.64 0 O-C-N 121.219 -0.925 . . . . 0.0 112.213 170.46 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 81.5 m-20 -63.96 -33.31 75.44 Favored 'General case' 0 CA--C 1.541 0.619 0 O-C-N 121.321 -0.862 . . . . 0.0 112.394 174.296 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 19' ' ' TYR . . . . . 0.427 ' CG ' HD12 ' A' ' 2' ' ' ILE . 25.4 m-85 -71.13 -32.65 69.26 Favored 'General case' 0 CA--C 1.54 0.581 0 N-CA-C 112.928 0.714 . . . . 0.0 112.928 172.203 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 35.5 t -70.81 -37.45 73.26 Favored 'General case' 0 CA--C 1.546 0.8 0 C-N-CA 123.353 0.661 . . . . 0.0 112.511 174.546 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 25.5 t-20 . . . . . 0 CA--C 1.545 0.755 0 C-N-CA 124.944 1.298 . . . . 0.0 112.713 -178.826 . . . . . . . . 0 0 . 1 . 022 nuclear nobuild full ' B' B ' 1' ' ' PHE . . . . . . . . . . . . . 44.9 t80 . . . . . 0 CA--C 1.539 0.52 0 N-CA-C 112.127 0.417 . . . . 0.0 112.127 . . . . . . . . . 0 0 . 1 . 022 nuclear nobuild full ' B' B ' 2' ' ' VAL . . . . . . . . . . . . . 25.2 m -136.19 141.44 41.48 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.774 0 C-N-CA 125.04 1.336 . . . . 0.0 110.115 166.117 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' B' B ' 3' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -51.85 129.67 27.22 Favored 'General case' 0 CA--C 1.538 0.489 0 C-N-CA 123.908 0.883 . . . . 0.0 113.255 178.112 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' B' B ' 4' ' ' GLN . . . . . . . . . . . . . 7.5 pt20 -165.27 153.12 11.23 Favored 'General case' 0 CA--C 1.533 0.321 0 C-N-CA 125.465 1.506 . . . . 0.0 110.285 177.591 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' B' B ' 5' ' ' HIS . . . . . . . . . . . . . 24.7 m-70 -70.06 145.0 51.99 Favored 'General case' 0 CA--C 1.542 0.657 0 C-N-CA 123.999 0.919 . . . . 0.0 110.259 161.93 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 73.6 mt -136.58 139.35 42.08 Favored 'General case' 0 N--CA 1.471 0.607 0 C-N-CA 125.01 1.324 . . . . 0.0 111.545 179.571 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' B' B ' 7' ' ' CYS . . . . . . . . . . . . . 72.0 m -134.93 143.85 47.13 Favored 'General case' 0 CA--C 1.539 0.533 0 C-N-CA 124.734 1.213 . . . . 0.0 111.291 -171.171 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' B' B ' 8' ' ' GLY . . . . . . . . . . . . . . . 52.44 -129.91 37.51 Favored Glycine 0 CA--C 1.534 1.25 0 C-N-CA 123.879 0.752 . . . . 0.0 113.676 174.922 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' B' B ' 9' ' ' SER . . . . . . . . . . . . . 23.3 m -57.32 -34.28 68.58 Favored 'General case' 0 N--CA 1.472 0.648 0 C-N-CA 124.262 1.025 . . . . 0.0 113.647 -179.969 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' B' B ' 10' ' ' HIS . . . . . . . . . . . . . 30.5 m170 -65.15 -32.81 74.69 Favored 'General case' 0 N--CA 1.475 0.781 0 CA-C-N 119.1 0.864 . . . . 0.0 112.456 178.818 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' B' B ' 11' ' ' LEU . . . . . 0.418 HD22 HD11 ' A' ' 2' ' ' ILE . 1.3 tt -67.34 -47.68 69.76 Favored 'General case' 0 CA--C 1.542 0.656 0 C-N-CA 125.13 1.372 . . . . 0.0 110.429 174.85 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 61.5 t -65.1 -40.54 89.22 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.886 0 C-N-CA 124.706 1.203 . . . . 0.0 111.777 178.745 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 43.8 mt-10 -65.26 -42.21 93.49 Favored 'General case' 0 N--CA 1.469 0.499 0 O-C-N 121.328 -0.858 . . . . 0.0 111.955 175.409 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -66.38 -38.14 86.87 Favored 'General case' 0 CA--C 1.539 0.556 0 O-C-N 121.306 -0.871 . . . . 0.0 112.951 -178.469 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 3.7 pp -74.39 -34.38 63.29 Favored 'General case' 0 N--CA 1.468 0.449 0 CA-C-N 118.395 0.543 . . . . 0.0 111.558 177.907 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' B' B ' 16' ' ' TYR . . . . . . . . . . . . . 2.9 t80 -62.03 -41.48 98.15 Favored 'General case' 0 CA--C 1.541 0.604 0 C-N-CA 123.703 0.801 . . . . 0.0 111.489 171.215 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 40.4 mt -69.56 -46.57 66.08 Favored 'General case' 0 CA--C 1.535 0.386 0 C-N-CA 123.649 0.78 . . . . 0.0 112.397 -178.768 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' B' B ' 18' ' ' VAL . . . . . . . . . . . . . 5.8 p -73.5 -30.55 30.18 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.817 0 N-CA-C 112.449 0.537 . . . . 0.0 112.449 -177.373 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' B' B ' 19' ' ' CYS . . . . . . . . . . . . . 11.2 t -85.34 -31.87 22.77 Favored 'General case' 0 CA--C 1.543 0.703 0 C-N-CA 123.92 0.888 . . . . 0.0 112.853 179.788 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . -78.72 -1.02 82.71 Favored Glycine 0 CA--C 1.539 1.547 0 C-N-CA 125.399 1.476 . . . . 0.0 115.518 179.514 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 40.2 tt0 -64.68 123.02 18.22 Favored 'General case' 0 CA--C 1.544 0.74 0 CA-C-N 119.041 1.42 . . . . 0.0 111.539 177.937 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' B' B ' 22' ' ' ARG . . . . . . . . . . . . . 99.3 mtt180 -78.13 -28.87 48.54 Favored 'General case' 0 N--CA 1.48 1.069 0 C-N-CA 124.314 1.046 . . . . 0.0 113.397 -177.611 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . 168.82 -23.39 0.1 Allowed Glycine 0 CA--C 1.534 1.219 0 C-N-CA 125.335 1.445 . . . . 0.0 114.513 177.517 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' B' B ' 24' ' ' DHI . . . . . 0.579 ' HD1' ' H ' ' B' ' 25' ' ' PHE . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' B' B ' 25' ' ' PHE . . . . . 0.579 ' H ' ' HD1' ' B' ' 24' ' ' DHI . 42.8 m-85 -71.02 162.32 29.63 Favored 'General case' 0 CA--C 1.544 0.719 0 C-N-CA 125.696 1.598 . . . . 0.0 113.494 -172.213 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' B' B ' 26' ' ' TYR . . . . . . . . . . . . . 56.3 m-85 -66.98 153.69 42.99 Favored 'General case' 0 CA--C 1.543 0.694 0 C-N-CA 124.518 1.127 . . . . 0.0 113.047 -178.391 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' B' B ' 27' ' ' THR . . . . . . . . . . . . . 39.8 p -77.05 -24.64 0.47 Allowed Pre-proline 0 N--CA 1.477 0.896 0 N-CA-C 117.816 2.524 . . . . 0.0 117.816 -175.426 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' B' B ' 28' ' ' PRO . . . . . . . . . . . . . 76.2 Cg_exo -59.89 142.88 99.42 Favored 'Trans proline' 0 C--N 1.356 0.94 0 C-N-CA 122.736 2.291 . . . . 0.0 113.919 179.957 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 8.9 ptpp? -155.79 155.6 33.31 Favored 'General case' 0 N--CA 1.471 0.607 0 C-N-CA 126.369 1.867 . . . . 0.0 110.658 -176.297 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' B' B ' 30' ' ' THR . . . . . . . . . . . . . 22.2 p . . . . . 0 C--O 1.253 1.262 0 C-N-CA 129.017 2.927 . . . . 0.0 112.773 -4.045 . . . . . . . . 0 0 . 1 . 023 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.482 1.701 0 N-CA-C 112.593 -0.203 . . . . 0.0 112.593 . . . . . . . . . 0 0 . 1 . 023 nuclear nobuild full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 10.4 tt -51.46 -48.07 35.16 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.036 0 C-N-CA 125.667 1.587 . . . . 0.0 114.167 -175.435 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 9.3 p -63.29 -48.91 85.21 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.729 0 C-N-CA 122.982 0.513 . . . . 0.0 111.93 -169.292 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 16.9 pt-20 -68.95 -44.0 73.89 Favored 'General case' 0 CA--C 1.532 0.282 0 CA-C-O 118.708 -0.663 . . . . 0.0 110.387 174.283 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 16.1 tp60 -60.43 -42.18 95.52 Favored 'General case' 0 N--CA 1.467 0.38 0 CA-C-N 119.083 0.856 . . . . 0.0 112.748 -173.096 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 61.4 m -89.96 -25.99 20.61 Favored 'General case' 0 CA--C 1.543 0.681 0 N-CA-C 113.511 0.93 . . . . 0.0 113.511 -177.95 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 84.9 m -72.45 -26.46 61.84 Favored 'General case' 0 CA--C 1.549 0.916 0 O-C-N 121.0 -1.063 . . . . 0.0 112.654 169.242 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 1.4 t -98.47 -26.69 14.36 Favored 'General case' 0 N--CA 1.482 1.137 0 N-CA-C 114.565 1.32 . . . . 0.0 114.565 -177.367 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 52.7 m -140.25 163.93 31.43 Favored 'General case' 0 N--CA 1.477 0.876 0 C-N-CA 125.597 1.559 . . . . 0.0 112.002 179.547 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 46.0 mt -63.62 137.66 24.32 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.633 0 O-C-N 121.245 -0.91 . . . . 0.0 110.594 173.581 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 17.5 m -115.55 160.76 19.55 Favored 'General case' 0 CA--C 1.54 0.574 0 C-N-CA 124.933 1.293 . . . . 0.0 112.339 174.585 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 63.6 m -121.45 156.54 32.52 Favored 'General case' 0 N--CA 1.472 0.647 0 C-N-CA 125.731 1.612 . . . . 0.0 111.153 175.651 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 2.6 pt? -58.1 -30.7 66.47 Favored 'General case' 0 CA--C 1.54 0.594 0 N-CA-C 113.738 1.014 . . . . 0.0 113.738 -177.465 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 24.9 m-85 -65.02 -32.74 74.61 Favored 'General case' 0 CA--C 1.539 0.558 0 C-N-CA 124.597 1.159 . . . . 0.0 112.69 176.212 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 42.7 mt-30 -71.37 -42.63 68.19 Favored 'General case' 0 N--CA 1.469 0.476 0 C-N-CA 123.338 0.655 . . . . 0.0 110.122 173.375 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 64.9 mt -60.92 -37.34 81.94 Favored 'General case' 0 CA--C 1.541 0.634 0 C-N-CA 123.268 0.627 . . . . 0.0 112.67 176.594 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 45.6 mt-10 -65.34 -39.12 91.97 Favored 'General case' 0 N--CA 1.472 0.638 0 C-N-CA 123.438 0.695 . . . . 0.0 112.73 169.934 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 91.9 m-20 -67.7 -30.34 69.82 Favored 'General case' 0 CA--C 1.542 0.653 0 O-C-N 121.235 -0.916 . . . . 0.0 112.674 176.156 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 27.3 m-85 -75.05 -33.8 61.76 Favored 'General case' 0 N--CA 1.469 0.494 0 CA-C-N 118.996 0.816 . . . . 0.0 112.541 175.894 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 7.3 p -81.41 -40.43 23.43 Favored 'General case' 0 CA--C 1.543 0.684 0 N-CA-C 112.872 0.693 . . . . 0.0 112.872 178.007 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 19.2 p30 . . . . . 0 N--CA 1.473 0.695 0 C-N-CA 128.315 2.646 . . . . 0.0 114.883 176.577 . . . . . . . . 0 0 . 1 . 023 nuclear nobuild full ' B' B ' 1' ' ' PHE . . . . . . . . . . . . . 38.8 t80 . . . . . 0 CA--C 1.542 0.647 0 N-CA-C 111.885 0.328 . . . . 0.0 111.885 . . . . . . . . . 0 0 . 1 . 023 nuclear nobuild full ' B' B ' 2' ' ' VAL . . . . . . . . . . . . . 2.9 m -138.92 86.61 0.51 Allowed 'Isoleucine or valine' 0 N--CA 1.476 0.862 0 C-N-CA 124.86 1.264 . . . . 0.0 112.204 177.644 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' B' B ' 3' ' ' ASN . . . . . . . . . . . . . 28.1 m120 47.75 -132.78 1.33 Allowed 'General case' 0 CA--C 1.551 1.001 0 C-N-CA 125.954 1.702 . . . . 0.0 115.03 163.437 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' B' B ' 4' ' ' GLN . . . . . . . . . . . . 0.282 7.1 pt20 59.55 162.31 0.04 OUTLIER 'General case' 0 CA--C 1.545 0.766 1 C-N-CA 133.826 4.85 . . . . 0.0 117.938 177.212 . . . . . . . . 3 2 . 1 . 023 nuclear nobuild full ' B' B ' 5' ' ' HIS . . . . . . . . . . . . . 52.6 m-70 -77.33 72.19 3.86 Favored 'General case' 0 CA--C 1.54 0.592 0 C-N-CA 126.606 1.962 . . . . 0.0 111.001 175.721 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 61.8 mt -61.81 125.32 23.41 Favored 'General case' 0 N--CA 1.469 0.495 0 C-N-CA 123.715 0.806 . . . . 0.0 111.462 -178.123 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' B' B ' 7' ' ' CYS . . . . . . . . . . . . . 11.0 t -145.68 156.0 43.35 Favored 'General case' 0 CA--C 1.54 0.588 0 C-N-CA 123.289 0.636 . . . . 0.0 112.314 -174.239 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' B' B ' 8' ' ' GLY . . . . . . . . . . . . . . . 58.4 -134.66 52.35 Favored Glycine 0 CA--C 1.535 1.291 0 C-N-CA 124.026 0.822 . . . . 0.0 113.306 177.881 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' B' B ' 9' ' ' SER . . . . . . . . . . . . . 36.0 p -59.35 -33.27 70.95 Favored 'General case' 0 N--CA 1.472 0.656 0 C-N-CA 124.132 0.973 . . . . 0.0 113.517 178.146 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' B' B ' 10' ' ' HIS . . . . . . . . . . . . . 27.7 m-70 -67.35 -35.36 79.21 Favored 'General case' 0 N--CA 1.472 0.649 0 CA-C-N 118.789 0.722 . . . . 0.0 112.092 178.674 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 39.2 tp -67.33 -41.73 84.75 Favored 'General case' 0 CA--C 1.539 0.546 0 C-N-CA 124.088 0.955 . . . . 0.0 111.913 174.89 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 76.5 t -66.68 -43.26 90.31 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.763 0 C-N-CA 123.908 0.883 . . . . 0.0 111.225 176.288 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 37.6 mt-10 -66.85 -40.9 88.06 Favored 'General case' 0 N--CA 1.47 0.557 0 O-C-N 121.412 -0.805 . . . . 0.0 112.311 176.739 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -64.6 -38.0 89.49 Favored 'General case' 0 CA--C 1.541 0.61 0 CA-C-N 119.135 0.879 . . . . 0.0 113.052 -178.592 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 2.4 pp -77.15 -35.12 56.33 Favored 'General case' 0 N--CA 1.469 0.513 0 O-C-N 121.74 -0.6 . . . . 0.0 111.201 178.171 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' B' B ' 16' ' ' TYR . . . . . . . . . . . . . 3.7 t80 -61.2 -39.84 91.73 Favored 'General case' 0 CA--C 1.54 0.596 0 C-N-CA 123.672 0.789 . . . . 0.0 111.532 172.067 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 31.3 mt -69.59 -45.61 68.21 Favored 'General case' 0 N--CA 1.465 0.299 0 C-N-CA 123.663 0.785 . . . . 0.0 112.232 -178.454 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' B' B ' 18' ' ' VAL . . . . . . . . . . . . . 9.5 p -75.27 -34.43 30.85 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.723 0 N-CA-C 112.359 0.503 . . . . 0.0 112.359 -178.145 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' B' B ' 19' ' ' CYS . . . . . . . . . . . . . 8.9 t -92.22 -34.34 14.32 Favored 'General case' 0 CA--C 1.542 0.643 0 N-CA-C 112.95 0.722 . . . . 0.0 112.95 -173.892 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . -94.82 21.71 42.02 Favored Glycine 0 CA--C 1.535 1.333 0 C-N-CA 126.223 1.868 . . . . 0.0 114.371 175.74 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -65.69 139.64 58.4 Favored 'General case' 0 CA--C 1.545 0.757 0 CA-C-N 118.798 1.299 . . . . 0.0 111.423 -179.657 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' B' B ' 22' ' ' ARG . . . . . . . . . . . . . 4.8 ptp180 -137.51 -13.43 1.52 Allowed 'General case' 0 N--CA 1.473 0.698 0 C-N-CA 126.38 1.872 . . . . 0.0 114.872 -169.65 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . 67.73 179.89 15.97 Favored Glycine 0 CA--C 1.538 1.49 0 C-N-CA 125.056 1.312 . . . . 0.0 114.446 -175.616 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' B' B ' 24' ' ' DHI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 023 nuclear nobuild full ' B' B ' 25' ' ' PHE . . . . . . . . . . . . . 62.2 m-85 -72.92 148.17 44.59 Favored 'General case' 0 CA--C 1.541 0.611 0 C-N-CA 125.226 1.41 . . . . 0.0 113.638 -169.509 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' B' B ' 26' ' ' TYR . . . . . . . . . . . . . 65.4 m-85 -98.86 162.35 13.14 Favored 'General case' 0 CA--C 1.542 0.661 0 C-N-CA 125.313 1.445 . . . . 0.0 112.133 177.616 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' B' B ' 27' ' ' THR . . . . . . . . . . . . . 7.2 t -70.83 -29.56 1.51 Allowed Pre-proline 0 N--CA 1.479 1.007 0 N-CA-C 116.773 2.138 . . . . 0.0 116.773 -177.798 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' B' B ' 28' ' ' PRO . . . . . . . . . . . . . 44.6 Cg_exo -65.0 150.2 88.4 Favored 'Trans proline' 0 C--N 1.357 0.975 0 C-N-CA 122.674 2.25 . . . . 0.0 113.874 179.107 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 41.0 ttmt -145.45 -46.05 0.22 Allowed 'General case' 0 N--CA 1.479 1.001 0 C-N-CA 124.996 1.318 . . . . 0.0 112.904 178.059 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' B' B ' 30' ' ' THR . . . . . . . . . . . . . 18.9 p . . . . . 0 C--O 1.252 1.2 0 C-N-CA 125.883 1.673 . . . . 0.0 113.221 177.115 . . . . . . . . 0 0 . 1 . 024 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.649 0 N-CA-C 110.447 -1.061 . . . . 0.0 110.447 . . . . . . . . . 0 0 . 1 . 024 nuclear nobuild full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 17.5 tt -64.45 -47.17 90.47 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.948 0 C-N-CA 124.042 0.937 . . . . 0.0 111.343 170.85 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 38.0 t -72.57 140.88 17.24 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.503 0 C-N-CA 124.018 0.927 . . . . 0.0 109.152 161.661 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . 0.258 10.1 mm-40 59.1 16.88 5.09 Favored 'General case' 0 CA--C 1.548 0.884 0 C-N-CA 126.077 1.751 . . . . 0.0 115.62 -164.4 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 8.6 tp-100 -102.56 -69.74 0.78 Allowed 'General case' 0 N--CA 1.468 0.469 0 N-CA-C 108.878 -0.786 . . . . 0.0 108.878 145.354 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 95.2 m -69.42 -27.87 65.65 Favored 'General case' 0 CA--C 1.542 0.646 0 N-CA-C 113.696 0.998 . . . . 0.0 113.696 -172.05 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 10.1 t -79.16 -16.05 57.19 Favored 'General case' 0 CA--C 1.549 0.909 0 N-CA-C 113.378 0.881 . . . . 0.0 113.378 -176.266 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 13.2 t -121.29 -25.75 5.17 Favored 'General case' 0 N--CA 1.479 1.024 0 C-N-CA 125.258 1.423 . . . . 0.0 113.504 -176.128 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 74.9 m -133.69 159.38 40.72 Favored 'General case' 0 N--CA 1.469 0.517 0 C-N-CA 126.262 1.825 . . . . 0.0 111.077 177.39 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 50.3 mt -63.6 137.07 25.35 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.567 0 O-C-N 121.605 -0.684 . . . . 0.0 109.992 172.941 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 17.2 p -129.54 166.8 18.96 Favored 'General case' 0 CA--C 1.543 0.698 0 C-N-CA 124.501 1.12 . . . . 0.0 111.763 174.47 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 70.7 m -119.41 156.89 29.29 Favored 'General case' 0 N--CA 1.473 0.722 0 C-N-CA 125.175 1.39 . . . . 0.0 112.314 -173.698 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 2.6 pt? -57.55 -30.97 65.66 Favored 'General case' 0 CA--C 1.54 0.581 0 C-N-CA 124.309 1.044 . . . . 0.0 113.495 179.789 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 23.9 m-85 -65.67 -34.5 78.36 Favored 'General case' 0 CA--C 1.538 0.515 0 C-N-CA 124.419 1.088 . . . . 0.0 112.417 175.432 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 44.7 mt-30 -72.59 -39.78 67.09 Favored 'General case' 0 N--CA 1.467 0.382 0 O-C-N 121.357 -0.839 . . . . 0.0 110.327 174.506 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 79.0 mt -58.39 -41.15 84.24 Favored 'General case' 0 CA--C 1.543 0.68 0 C-N-CA 122.91 0.484 . . . . 0.0 112.178 173.026 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 45.1 mt-10 -62.97 -35.5 80.36 Favored 'General case' 0 N--CA 1.474 0.766 0 N-CA-C 113.214 0.82 . . . . 0.0 113.214 171.723 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 12.6 m-80 -66.63 -30.98 71.38 Favored 'General case' 0 CA--C 1.542 0.656 0 O-C-N 121.254 -0.904 . . . . 0.0 112.528 174.291 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 30.9 m-85 -75.79 -30.66 59.15 Favored 'General case' 0 CA--C 1.543 0.675 0 CA-C-N 119.085 0.857 . . . . 0.0 112.73 172.691 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 71.3 m -70.25 -33.27 71.42 Favored 'General case' 0 CA--C 1.544 0.733 0 C-N-CA 123.692 0.797 . . . . 0.0 112.877 172.219 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 25.3 t-20 . . . . . 0 CA--C 1.544 0.735 0 C-N-CA 124.727 1.211 . . . . 0.0 112.619 -179.121 . . . . . . . . 0 0 . 1 . 024 nuclear nobuild full ' B' B ' 1' ' ' PHE . . . . . . . . . . . . . 43.9 t80 . . . . . 0 CA--C 1.54 0.575 0 N-CA-C 112.083 0.401 . . . . 0.0 112.083 . . . . . . . . . 0 0 . 1 . 024 nuclear nobuild full ' B' B ' 2' ' ' VAL . . . . . . . . . . . . . 20.3 m -135.61 139.26 46.76 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.698 0 C-N-CA 125.15 1.38 . . . . 0.0 109.607 164.266 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' B' B ' 3' ' ' ASN . . . . . . . . . . . . . 20.9 m120 -59.16 140.43 55.91 Favored 'General case' 0 N--CA 1.466 0.373 0 CA-C-O 121.802 0.811 . . . . 0.0 112.777 -179.617 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' B' B ' 4' ' ' GLN . . . . . . . . . . . . . 7.0 pt20 -169.37 162.63 10.41 Favored 'General case' 0 CA--C 1.538 0.49 0 C-N-CA 127.088 2.155 . . . . 0.0 108.563 -179.669 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' B' B ' 5' ' ' HIS . . . . . . . . . . . . . 26.6 m-70 -67.81 139.11 56.58 Favored 'General case' 0 CA--C 1.54 0.592 0 C-N-CA 123.841 0.856 . . . . 0.0 109.587 161.631 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 65.4 mt -136.31 131.34 34.22 Favored 'General case' 0 N--CA 1.472 0.629 0 C-N-CA 125.029 1.332 . . . . 0.0 110.735 -176.053 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' B' B ' 7' ' ' CYS . . . . . . . . . . . . . 3.8 t -151.84 156.61 40.53 Favored 'General case' 0 CA--C 1.538 0.494 0 N-CA-C 112.563 0.579 . . . . 0.0 112.563 -179.158 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' B' B ' 8' ' ' GLY . . . . . . . . . . . . . . . 56.96 -136.26 50.58 Favored Glycine 0 CA--C 1.534 1.234 0 C-N-CA 123.813 0.721 . . . . 0.0 112.855 -178.99 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' B' B ' 9' ' ' SER . . . . . . . . . . . . . 40.0 p -59.23 -31.73 69.32 Favored 'General case' 0 N--CA 1.471 0.59 0 N-CA-C 113.717 1.006 . . . . 0.0 113.717 178.575 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' B' B ' 10' ' ' HIS . . . . . . . . . . . . . 30.6 m170 -65.53 -36.38 83.64 Favored 'General case' 0 N--CA 1.473 0.693 0 CA-C-N 119.36 0.982 . . . . 0.0 112.232 176.649 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -65.06 -46.5 80.93 Favored 'General case' 0 CA--C 1.539 0.545 0 C-N-CA 123.998 0.919 . . . . 0.0 110.961 174.201 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 82.6 t -61.5 -45.23 99.08 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.718 0 C-N-CA 124.243 1.017 . . . . 0.0 111.293 177.774 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 45.5 mt-10 -63.15 -42.41 99.43 Favored 'General case' 0 N--CA 1.472 0.648 0 CA-C-N 118.959 0.8 . . . . 0.0 112.182 176.381 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -64.61 -36.46 84.3 Favored 'General case' 0 CA--C 1.541 0.624 0 N-CA-C 113.146 0.795 . . . . 0.0 113.146 -179.02 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' B' B ' 15' ' ' LEU . . . . . 0.449 ' HA ' HG12 ' B' ' 18' ' ' VAL . 3.2 pp -82.09 -34.98 29.09 Favored 'General case' 0 CA--C 1.536 0.44 0 O-C-N 121.762 -0.586 . . . . 0.0 111.111 178.049 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' B' B ' 16' ' ' TYR . . . . . . . . . . . . . 10.0 t80 -58.1 -38.29 76.17 Favored 'General case' 0 CA--C 1.539 0.552 0 C-N-CA 123.876 0.87 . . . . 0.0 111.736 171.125 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 32.1 mt -69.44 -46.67 66.2 Favored 'General case' 0 CA--C 1.534 0.345 0 C-N-CA 123.718 0.807 . . . . 0.0 112.502 178.742 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' B' B ' 18' ' ' VAL . . . . . 0.449 HG12 ' HA ' ' B' ' 15' ' ' LEU . 6.4 p -76.39 -29.34 18.73 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.773 0 N-CA-C 112.75 0.648 . . . . 0.0 112.75 -176.781 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' B' B ' 19' ' ' CYS . . . . . . . . . . . . . 84.5 m -99.89 -25.86 14.2 Favored 'General case' 0 CA--C 1.543 0.706 0 N-CA-C 114.215 1.191 . . . . 0.0 114.215 -175.228 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . 78.99 -15.87 9.68 Favored Glycine 0 CA--C 1.539 1.534 0 C-N-CA 125.897 1.713 . . . . 0.0 115.873 -179.414 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' B' B ' 21' ' ' GLU . . . . . 0.443 ' HG2' ' H ' ' B' ' 22' ' ' ARG . 5.3 tt0 56.68 -178.18 0.05 OUTLIER 'General case' 0 CA--C 1.556 1.201 0 C-N-CA 126.686 1.994 . . . . 0.0 114.172 -174.493 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' B' B ' 22' ' ' ARG . . . . . 0.443 ' H ' ' HG2' ' B' ' 21' ' ' GLU . 40.7 ptt180 -77.61 -17.51 57.73 Favored 'General case' 0 N--CA 1.481 1.123 0 C-N-CA 125.102 1.361 . . . . 0.0 114.582 179.544 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . -173.07 178.66 44.95 Favored Glycine 0 CA--C 1.534 1.227 0 C-N-CA 126.159 1.838 . . . . 0.0 112.173 -177.878 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' B' B ' 24' ' ' DHI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 024 nuclear nobuild full ' B' B ' 25' ' ' PHE . . . . . . . . . . . . . 50.5 m-85 -58.29 159.47 6.06 Favored 'General case' 0 CA--C 1.543 0.699 0 C-N-CA 125.696 1.598 . . . . 0.0 114.268 -170.025 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' B' B ' 26' ' ' TYR . . . . . . . . . . . . . 23.4 m-85 -33.84 112.73 0.14 Allowed 'General case' 0 CA--C 1.542 0.659 0 C-N-CA 127.582 2.353 . . . . 0.0 115.915 -160.792 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' B' B ' 27' ' ' THR . . . . . . . . . . . . . 71.5 p -83.75 -20.77 0.28 Allowed Pre-proline 0 N--CA 1.475 0.821 0 N-CA-C 116.844 2.164 . . . . 0.0 116.844 176.231 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' B' B ' 28' ' ' PRO . . . . . . . . . . . . . 71.0 Cg_exo -61.86 156.01 51.29 Favored 'Trans proline' 0 C--N 1.357 0.974 0 C-N-CA 122.635 2.223 . . . . 0.0 114.37 175.934 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 22.7 tptm 62.55 -39.85 0.16 Allowed 'General case' 0 N--CA 1.484 1.274 0 C-N-CA 129.176 2.99 . . . . 0.0 116.954 178.298 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' B' B ' 30' ' ' THR . . . . . . . . . . . . . 34.4 m . . . . . 0 C--O 1.251 1.152 0 C-N-CA 125.775 1.63 . . . . 0.0 111.599 -175.956 . . . . . . . . 0 0 . 1 . 025 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.626 0 N-CA-C 112.402 -0.279 . . . . 0.0 112.402 . . . . . . . . . 0 0 . 1 . 025 nuclear nobuild full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 14.6 tt -66.09 -42.19 90.93 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.894 0 C-N-CA 124.769 1.228 . . . . 0.0 114.177 -175.382 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 10.9 p -63.44 -48.99 84.56 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.883 0 O-C-N 121.332 -0.855 . . . . 0.0 112.299 -169.255 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 14.5 pt-20 -69.35 -5.77 25.49 Favored 'General case' 0 CA--C 1.544 0.729 0 C-N-CA 125.333 1.453 . . . . 0.0 114.167 176.104 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 91.8 mt-30 -102.98 -32.93 9.49 Favored 'General case' 0 CA--C 1.54 0.589 0 C-N-CA 125.091 1.356 . . . . 0.0 112.171 176.767 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 73.9 m -103.82 -18.63 14.57 Favored 'General case' 0 CA--C 1.544 0.738 0 N-CA-C 115.679 1.733 . . . . 0.0 115.679 179.64 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 3.7 m -81.78 -24.17 36.15 Favored 'General case' 0 N--CA 1.478 0.974 0 CA-C-N 120.457 1.48 . . . . 0.0 113.726 177.864 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 6.9 t -111.82 -12.22 13.84 Favored 'General case' 0 N--CA 1.481 1.087 0 C-N-CA 124.929 1.292 . . . . 0.0 113.869 -176.562 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 68.7 m -140.61 158.04 44.58 Favored 'General case' 0 N--CA 1.47 0.537 0 C-N-CA 126.372 1.869 . . . . 0.0 110.475 177.421 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 25.9 mt -66.07 139.12 21.76 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.657 0 C-N-CA 123.486 0.714 . . . . 0.0 111.75 -178.871 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 50.3 m -122.01 156.93 32.45 Favored 'General case' 0 CA--C 1.542 0.663 0 C-N-CA 125.334 1.454 . . . . 0.0 111.592 169.516 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 48.7 m -137.0 159.63 41.31 Favored 'General case' 0 N--CA 1.471 0.589 0 C-N-CA 126.499 1.92 . . . . 0.0 109.625 179.584 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 2.5 pt? -56.07 -33.76 65.33 Favored 'General case' 0 CA--C 1.542 0.663 0 N-CA-C 113.262 0.838 . . . . 0.0 113.262 -177.014 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 27.1 m-85 -64.26 -27.88 69.35 Favored 'General case' 0 CA--C 1.541 0.611 0 C-N-CA 125.039 1.336 . . . . 0.0 113.593 176.532 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 20.8 mm100 -86.53 -35.0 19.8 Favored 'General case' 0 N--CA 1.468 0.461 0 C-N-CA 124.637 1.175 . . . . 0.0 111.35 172.423 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 97.1 mt -65.38 -25.36 67.53 Favored 'General case' 0 CA--C 1.542 0.662 0 N-CA-C 113.087 0.773 . . . . 0.0 113.087 177.181 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 38.7 mt-10 -57.55 -27.26 62.49 Favored 'General case' 0 CA--C 1.544 0.721 0 N-CA-C 113.569 0.952 . . . . 0.0 113.569 167.801 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 75.4 m-20 -71.06 -29.34 65.2 Favored 'General case' 0 CA--C 1.541 0.633 0 CA-C-N 119.658 1.117 . . . . 0.0 112.238 179.345 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 33.9 m-85 -82.85 -26.97 31.14 Favored 'General case' 0 N--CA 1.473 0.68 0 C-N-CA 123.645 0.778 . . . . 0.0 112.227 173.809 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 31.7 t -70.37 -41.16 73.47 Favored 'General case' 0 CA--C 1.546 0.814 0 C-N-CA 124.602 1.161 . . . . 0.0 112.528 170.788 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 59.5 t-20 . . . . . 0 CA--C 1.543 0.689 0 C-N-CA 125.679 1.592 . . . . 0.0 111.541 -174.894 . . . . . . . . 0 0 . 1 . 025 nuclear nobuild full ' B' B ' 1' ' ' PHE . . . . . . . . . . . . . 8.0 t80 . . . . . 0 CA--C 1.541 0.62 0 N-CA-C 111.597 0.221 . . . . 0.0 111.597 . . . . . . . . . 0 0 . 1 . 025 nuclear nobuild full ' B' B ' 2' ' ' VAL . . . . . . . . . . . . . 29.8 m -134.59 141.67 42.72 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.921 0 C-N-CA 124.818 1.247 . . . . 0.0 110.951 169.512 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' B' B ' 3' ' ' ASN . . . . . . . . . . . . . 5.9 p-10 -57.1 139.39 52.55 Favored 'General case' 0 CA--C 1.534 0.341 0 C-N-CA 123.849 0.86 . . . . 0.0 112.854 176.59 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' B' B ' 4' ' ' GLN . . . . . . . . . . . . . 7.4 pt20 -169.76 156.93 6.62 Favored 'General case' 0 CA--C 1.535 0.393 0 C-N-CA 125.673 1.589 . . . . 0.0 110.228 179.934 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' B' B ' 5' ' ' HIS . . . . . . . . . . . . . 22.7 m-70 -62.9 140.98 58.87 Favored 'General case' 0 CA--C 1.542 0.649 0 C-N-CA 123.907 0.883 . . . . 0.0 109.742 158.649 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 69.0 mt -137.84 134.76 35.5 Favored 'General case' 0 N--CA 1.472 0.628 0 C-N-CA 125.036 1.334 . . . . 0.0 111.623 -172.742 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' B' B ' 7' ' ' CYS . . . . . . . . . . . . . 86.5 m -139.81 158.49 44.01 Favored 'General case' 0 CA--C 1.539 0.557 0 C-N-CA 125.207 1.403 . . . . 0.0 112.635 179.36 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' B' B ' 8' ' ' GLY . . . . . . . . . . . . . . . 52.87 -131.8 40.66 Favored Glycine 0 CA--C 1.533 1.196 0 C-N-CA 124.556 1.074 . . . . 0.0 114.416 168.314 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' B' B ' 9' ' ' SER . . . . . . . . . . . . . 36.0 p -58.35 -34.82 71.07 Favored 'General case' 0 N--CA 1.471 0.594 0 C-N-CA 124.105 0.962 . . . . 0.0 113.402 177.846 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' B' B ' 10' ' ' HIS . . . . . . . . . . . . . 27.2 m-70 -68.48 -38.7 81.28 Favored 'General case' 0 N--CA 1.472 0.644 0 CA-C-N 119.061 0.846 . . . . 0.0 111.932 177.409 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 51.1 tp -66.62 -42.3 87.0 Favored 'General case' 0 N--CA 1.469 0.499 0 C-N-CA 124.244 1.018 . . . . 0.0 111.955 175.476 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 86.5 t -65.71 -47.4 86.11 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.779 0 C-N-CA 123.715 0.806 . . . . 0.0 111.069 175.673 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 38.2 mt-10 -64.91 -39.17 93.1 Favored 'General case' 0 N--CA 1.47 0.569 0 O-C-N 121.458 -0.776 . . . . 0.0 112.339 179.195 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -64.69 -37.03 86.21 Favored 'General case' 0 CA--C 1.54 0.576 0 O-C-N 121.302 -0.874 . . . . 0.0 113.102 -179.731 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 1.8 pp -81.02 -35.56 31.74 Favored 'General case' 0 N--CA 1.467 0.401 0 O-C-N 121.93 -0.481 . . . . 0.0 110.754 178.28 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' B' B ' 16' ' ' TYR . . . . . . . . . . . . . 7.7 t80 -59.96 -37.69 80.32 Favored 'General case' 0 CA--C 1.539 0.557 0 C-N-CA 124.347 1.059 . . . . 0.0 112.26 172.767 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 33.4 mt -69.28 -45.6 69.23 Favored 'General case' 0 N--CA 1.468 0.431 0 C-N-CA 123.942 0.897 . . . . 0.0 111.84 179.357 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' B' B ' 18' ' ' VAL . . . . . . . . . . . . . 5.3 p -73.54 -28.8 25.66 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.859 0 N-CA-C 112.621 0.6 . . . . 0.0 112.621 178.03 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' B' B ' 19' ' ' CYS . . . . . . . . . . . . . 2.0 t -77.48 -21.31 53.01 Favored 'General case' 0 N--CA 1.471 0.597 0 C-N-CA 124.216 1.006 . . . . 0.0 113.26 174.722 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . 73.32 26.33 70.63 Favored Glycine 0 CA--C 1.53 1.024 0 C-N-CA 124.159 0.885 . . . . 0.0 113.581 174.208 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 39.2 tt0 66.78 -40.39 0.37 Allowed 'General case' 0 N--CA 1.483 1.204 0 C-N-CA 128.444 2.698 . . . . 0.0 116.246 -179.949 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' B' B ' 22' ' ' ARG . . . . . . . . . . . . . 96.6 mtt180 -119.28 -28.48 5.4 Favored 'General case' 0 N--CA 1.48 1.072 0 C-N-CA 125.912 1.685 . . . . 0.0 113.357 -162.617 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . -69.41 174.8 34.18 Favored Glycine 0 CA--C 1.538 1.503 0 C-N-CA 124.273 0.939 . . . . 0.0 112.993 164.155 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' B' B ' 24' ' ' DHI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 025 nuclear nobuild full ' B' B ' 25' ' ' PHE . . . . . . . . . . . . . 84.3 m-85 -66.6 168.19 9.7 Favored 'General case' 0 CA--C 1.546 0.792 0 C-N-CA 124.333 1.053 . . . . 0.0 112.506 172.877 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' B' B ' 26' ' ' TYR . . . . . . . . . . . . . 62.7 m-85 -54.84 140.13 37.65 Favored 'General case' 0 CA--C 1.541 0.6 0 C-N-CA 124.744 1.218 . . . . 0.0 113.978 -171.166 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' B' B ' 27' ' ' THR . . . . . . . . . . . . . 61.7 m -118.47 106.38 44.66 Favored Pre-proline 0 N--CA 1.476 0.841 0 C-N-CA 125.348 1.459 . . . . 0.0 109.627 178.531 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' B' B ' 28' ' ' PRO . . . . . . . . . . . . . 71.7 Cg_exo -58.67 148.86 80.25 Favored 'Trans proline' 0 CA--C 1.54 0.782 0 C-N-CA 123.621 2.88 . . . . 0.0 114.057 178.052 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 14.9 ptmm? -149.7 166.84 28.16 Favored 'General case' 0 N--CA 1.474 0.758 0 C-N-CA 126.007 1.723 . . . . 0.0 112.097 -179.657 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' B' B ' 30' ' ' THR . . . . . . . . . . . . . 20.4 p . . . . . 0 C--O 1.252 1.237 0 C-N-CA 125.731 1.612 . . . . 0.0 113.127 170.331 . . . . . . . . 0 0 . 1 . 026 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.666 0 N-CA-C 111.996 -0.442 . . . . 0.0 111.996 . . . . . . . . . 0 0 . 1 . 026 nuclear nobuild full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 11.6 tt -77.74 -33.26 18.7 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.044 0 C-N-CA 124.711 1.204 . . . . 0.0 113.475 -178.768 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 40.0 t -56.23 139.87 15.05 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.83 0 C-N-CA 124.237 1.015 . . . . 0.0 110.027 169.838 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . 0.306 9.8 pt-20 48.75 24.07 0.76 Allowed 'General case' 0 CA--C 1.55 0.981 0 C-N-CA 126.422 1.889 . . . . 0.0 115.647 -169.411 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 18.2 mm-40 -112.09 -54.39 2.62 Favored 'General case' 0 N--CA 1.471 0.613 0 C-N-CA 124.764 1.226 . . . . 0.0 110.303 162.45 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 5.4 t -87.31 -6.15 58.63 Favored 'General case' 0 CA--C 1.55 0.953 0 N-CA-C 113.906 1.076 . . . . 0.0 113.906 172.993 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 49.1 t -92.62 -24.33 18.72 Favored 'General case' 0 CA--C 1.546 0.81 0 O-C-N 121.336 -0.853 . . . . 0.0 113.146 174.618 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 5.4 t -93.97 -28.9 15.53 Favored 'General case' 0 N--CA 1.481 1.108 0 C-N-CA 124.269 1.027 . . . . 0.0 113.209 176.858 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 74.4 m -139.27 162.21 35.56 Favored 'General case' 0 N--CA 1.47 0.547 0 C-N-CA 126.587 1.955 . . . . 0.0 110.758 179.426 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 57.4 mt -67.27 142.08 17.05 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.701 0 O-C-N 121.506 -0.746 . . . . 0.0 110.492 174.033 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 17.4 p -124.02 149.94 45.48 Favored 'General case' 0 CA--C 1.541 0.629 0 C-N-CA 124.278 1.031 . . . . 0.0 112.296 168.236 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 54.4 m -95.01 155.41 16.74 Favored 'General case' 0 N--CA 1.474 0.765 0 C-N-CA 124.85 1.26 . . . . 0.0 111.061 171.447 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 2.5 pt? -56.72 -31.04 64.12 Favored 'General case' 0 N--CA 1.474 0.775 0 N-CA-C 113.88 1.067 . . . . 0.0 113.88 178.519 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 26.3 m-85 -61.71 -20.89 63.98 Favored 'General case' 0 CA--C 1.544 0.731 0 C-N-CA 125.064 1.346 . . . . 0.0 113.717 174.74 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 30.3 mt-30 -98.56 -41.6 7.67 Favored 'General case' 0 N--CA 1.468 0.434 0 C-N-CA 126.5 1.92 . . . . 0.0 111.262 171.745 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . 0.256 0.1 OUTLIER -79.96 -25.79 40.25 Favored 'General case' 0 CA--C 1.549 0.918 0 C-N-CA 123.727 0.811 . . . . 0.0 112.688 -168.068 . . . . . . . . 3 3 . 1 . 026 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 39.0 mt-10 -68.64 -24.77 64.59 Favored 'General case' 0 N--CA 1.476 0.841 0 O-C-N 120.85 -1.156 . . . . 0.0 113.237 169.581 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 88.2 m-20 -61.32 -32.32 72.18 Favored 'General case' 0 N--CA 1.474 0.744 0 O-C-N 121.152 -0.967 . . . . 0.0 112.0 -179.857 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 74.5 m-85 -70.77 -19.84 62.67 Favored 'General case' 0 CA--C 1.541 0.6 0 N-CA-C 114.054 1.131 . . . . 0.0 114.054 175.274 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 42.7 t -80.13 -49.32 11.87 Favored 'General case' 0 CA--C 1.54 0.572 0 C-N-CA 123.498 0.719 . . . . 0.0 111.07 169.55 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 25.2 t-20 . . . . . 0 CA--C 1.541 0.619 0 C-N-CA 124.729 1.212 . . . . 0.0 111.525 178.171 . . . . . . . . 0 0 . 1 . 026 nuclear nobuild full ' B' B ' 1' ' ' PHE . . . . . . . . . . . . . 73.6 t80 . . . . . 0 CA--C 1.54 0.559 0 N-CA-C 112.315 0.487 . . . . 0.0 112.315 . . . . . . . . . 0 0 . 1 . 026 nuclear nobuild full ' B' B ' 2' ' ' VAL . . . . . . . . . . . . . 17.9 m -133.35 135.65 55.93 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.755 0 C-N-CA 125.277 1.431 . . . . 0.0 109.715 167.359 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' B' B ' 3' ' ' ASN . . . . . . . . . . . . . 8.5 m-20 -61.47 141.64 57.55 Favored 'General case' 0 CA--C 1.534 0.344 0 CA-C-O 122.114 0.959 . . . . 0.0 113.335 -172.388 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' B' B ' 4' ' ' GLN . . . . . . . . . . . . . 5.9 pt20 -169.58 171.11 7.76 Favored 'General case' 0 CA--C 1.54 0.585 0 C-N-CA 127.933 2.493 . . . . 0.0 107.863 177.63 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' B' B ' 5' ' ' HIS . . . . . . . . . . . . . 17.5 m-70 -78.24 132.72 37.65 Favored 'General case' 0 CA--C 1.541 0.608 0 C-N-CA 124.34 1.056 . . . . 0.0 110.382 164.059 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 3.1 mm? -122.44 142.41 50.58 Favored 'General case' 0 CA--C 1.539 0.552 0 C-N-CA 125.556 1.543 . . . . 0.0 111.109 175.014 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' B' B ' 7' ' ' CYS . . . . . . . . . . . . . 86.9 m -140.63 154.9 46.62 Favored 'General case' 0 CA--C 1.541 0.622 0 C-N-CA 124.465 1.106 . . . . 0.0 112.279 -173.551 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' B' B ' 8' ' ' GLY . . . . . . . . . . . . . . . 53.8 -133.58 44.03 Favored Glycine 0 CA--C 1.535 1.32 0 C-N-CA 124.437 1.018 . . . . 0.0 114.606 169.656 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' B' B ' 9' ' ' SER . . . . . . . . . . . . . 39.9 p -62.74 -30.48 71.46 Favored 'General case' 0 N--CA 1.472 0.655 0 N-CA-C 113.446 0.906 . . . . 0.0 113.446 176.359 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' B' B ' 10' ' ' HIS . . . . . . . . . . . . . 26.5 m-70 -69.49 -30.32 68.16 Favored 'General case' 0 N--CA 1.469 0.49 0 O-C-N 121.444 -0.785 . . . . 0.0 111.74 177.296 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 45.6 tp -68.93 -41.05 78.62 Favored 'General case' 0 CA--C 1.538 0.501 0 C-N-CA 124.179 0.992 . . . . 0.0 112.099 173.095 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 71.6 t -66.23 -43.21 91.9 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.787 0 C-N-CA 123.764 0.825 . . . . 0.0 111.015 176.487 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 40.4 mt-10 -66.59 -43.45 84.84 Favored 'General case' 0 N--CA 1.469 0.507 0 O-C-N 121.468 -0.77 . . . . 0.0 111.987 174.421 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -62.2 -39.51 93.01 Favored 'General case' 0 CA--C 1.537 0.454 0 CA-C-N 119.139 0.882 . . . . 0.0 112.735 179.753 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' B' B ' 15' ' ' LEU . . . . . 0.433 ' HA ' HG12 ' B' ' 18' ' ' VAL . 2.1 pp -74.22 -34.13 63.59 Favored 'General case' 0 N--CA 1.468 0.462 0 CA-C-N 118.938 0.79 . . . . 0.0 111.834 -179.747 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' B' B ' 16' ' ' TYR . . . . . . . . . . . . . 2.9 t80 -63.64 -44.64 93.28 Favored 'General case' 0 CA--C 1.541 0.621 0 C-N-CA 123.794 0.838 . . . . 0.0 111.14 171.177 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 47.3 mt -69.54 -44.13 71.56 Favored 'General case' 0 N--CA 1.469 0.498 0 C-N-CA 124.191 0.996 . . . . 0.0 112.635 -177.632 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' B' B ' 18' ' ' VAL . . . . . 0.433 HG12 ' HA ' ' B' ' 15' ' ' LEU . 5.3 p -74.58 -28.16 21.84 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.819 0 C-N-CA 123.106 0.562 . . . . 0.0 112.252 -178.447 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' B' B ' 19' ' ' CYS . . . . . . . . . . . . . 48.8 t -75.5 -37.76 59.95 Favored 'General case' 0 CA--C 1.536 0.412 0 C-N-CA 123.823 0.849 . . . . 0.0 112.434 172.198 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . 62.25 23.02 63.8 Favored Glycine 0 CA--C 1.537 1.432 0 O-C-N 121.687 -0.633 . . . . 0.0 113.336 -176.696 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 18.4 tt0 57.04 32.53 21.83 Favored 'General case' 0 CA--C 1.552 1.044 0 C-N-CA 125.925 1.69 . . . . 0.0 113.972 -173.267 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' B' B ' 22' ' ' ARG . . . . . . . . . . . . . 10.7 ptm180 -69.65 -10.94 60.25 Favored 'General case' 0 N--CA 1.481 1.087 0 N-CA-C 115.649 1.722 . . . . 0.0 115.649 -178.526 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . -63.33 154.31 45.0 Favored Glycine 0 CA--C 1.535 1.341 0 C-N-CA 124.553 1.073 . . . . 0.0 114.768 -173.713 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' B' B ' 24' ' ' DHI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 026 nuclear nobuild full ' B' B ' 25' ' ' PHE . . . . . . . . . . . . . 51.0 m-85 -81.64 150.3 28.14 Favored 'General case' 0 CA--C 1.539 0.554 0 C-N-CA 126.565 1.946 . . . . 0.0 113.053 -167.816 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' B' B ' 26' ' ' TYR . . . . . . . . . . . . . 97.7 m-85 -82.92 113.43 20.51 Favored 'General case' 0 N--CA 1.468 0.468 0 C-N-CA 123.619 0.767 . . . . 0.0 110.743 170.858 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' B' B ' 27' ' ' THR . . . . . . . . . . . . . 44.9 m -140.91 108.48 6.41 Favored Pre-proline 0 N--CA 1.474 0.755 0 C-N-CA 124.795 1.238 . . . . 0.0 109.867 -178.065 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' B' B ' 28' ' ' PRO . . . . . . . . . . . . . 73.5 Cg_endo -70.3 154.27 65.72 Favored 'Trans proline' 0 CA--C 1.539 0.774 0 C-N-CA 122.954 2.436 . . . . 0.0 112.06 176.305 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 75.5 mmtt -134.12 154.79 50.98 Favored 'General case' 0 N--CA 1.474 0.768 0 C-N-CA 126.201 1.8 . . . . 0.0 111.21 -176.754 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' B' B ' 30' ' ' THR . . . . . . . . . . . . . 19.5 p . . . . . 0 C--O 1.252 1.232 0 C-N-CA 126.141 1.776 . . . . 0.0 113.249 178.012 . . . . . . . . 0 0 . 1 . 027 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.479 1.55 0 N-CA-C 110.711 -0.956 . . . . 0.0 110.711 . . . . . . . . . 0 0 . 1 . 027 nuclear nobuild full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 11.6 tt -62.84 -42.25 95.68 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.787 0 N-CA-C 113.695 0.998 . . . . 0.0 113.695 -166.058 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 7.5 p -59.94 -45.19 95.51 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.705 0 C-N-CA 123.923 0.889 . . . . 0.0 111.642 178.604 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 34.6 tt0 -73.77 -32.48 63.82 Favored 'General case' 0 CA--C 1.539 0.535 0 O-C-N 121.172 -0.955 . . . . 0.0 112.68 179.851 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 74.2 mt-30 -75.38 -33.24 61.01 Favored 'General case' 0 CA--C 1.538 0.505 0 N-CA-C 113.399 0.889 . . . . 0.0 113.399 176.127 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 71.3 m -109.4 -31.39 7.55 Favored 'General case' 0 CA--C 1.549 0.909 0 N-CA-C 116.266 1.951 . . . . 0.0 116.266 -171.613 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 89.5 m -87.2 -26.77 23.37 Favored 'General case' 0 N--CA 1.479 0.991 0 CA-C-N 120.989 1.722 . . . . 0.0 113.797 -171.199 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 13.8 t -111.26 -17.34 13.19 Favored 'General case' 0 N--CA 1.482 1.142 0 C-N-CA 125.229 1.412 . . . . 0.0 113.504 -176.218 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 80.0 p -144.16 173.47 11.71 Favored 'General case' 0 CA--C 1.541 0.596 0 C-N-CA 126.405 1.882 . . . . 0.0 110.697 171.594 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 51.3 mt -73.81 139.27 19.65 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.74 0 O-C-N 121.185 -0.947 . . . . 0.0 111.321 -179.402 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 18.5 p -124.71 158.84 32.26 Favored 'General case' 0 CA--C 1.541 0.602 0 C-N-CA 124.65 1.18 . . . . 0.0 112.126 166.83 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 64.7 p -98.64 166.81 11.15 Favored 'General case' 0 N--CA 1.468 0.46 0 C-N-CA 124.659 1.184 . . . . 0.0 112.563 179.26 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 2.2 pp -57.99 -29.88 65.61 Favored 'General case' 0 CA--C 1.543 0.706 0 C-N-CA 123.439 0.695 . . . . 0.0 112.275 169.124 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 48.0 m-85 -73.95 -29.03 61.79 Favored 'General case' 0 CA--C 1.539 0.52 0 C-N-CA 123.93 0.892 . . . . 0.0 112.514 179.961 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 42.0 mt-30 -73.47 -42.83 61.4 Favored 'General case' 0 N--CA 1.468 0.444 0 C-N-CA 123.843 0.857 . . . . 0.0 111.167 172.257 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 98.9 mt -57.84 -34.54 69.81 Favored 'General case' 0 CA--C 1.545 0.779 0 N-CA-C 113.282 0.845 . . . . 0.0 113.282 176.378 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 41.7 mt-10 -61.25 -21.72 64.15 Favored 'General case' 0 N--CA 1.475 0.796 0 N-CA-C 113.99 1.107 . . . . 0.0 113.99 175.801 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 80.6 m-20 -71.75 -23.47 61.61 Favored 'General case' 0 CA--C 1.544 0.735 0 O-C-N 121.254 -0.904 . . . . 0.0 112.347 174.524 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 55.4 m-85 -102.08 -24.52 13.95 Favored 'General case' 0 N--CA 1.471 0.605 0 N-CA-C 114.924 1.453 . . . . 0.0 114.924 -171.055 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 19.2 p -73.69 -27.23 61.11 Favored 'General case' 0 CA--C 1.54 0.583 0 N-CA-C 114.752 1.39 . . . . 0.0 114.752 -174.102 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 57.6 t-20 . . . . . 0 CA--C 1.544 0.713 0 C-N-CA 126.22 1.808 . . . . 0.0 112.629 -174.205 . . . . . . . . 0 0 . 1 . 027 nuclear nobuild full ' B' B ' 1' ' ' PHE . . . . . . . . . . . . . 43.6 t80 . . . . . 0 CA--C 1.542 0.664 0 N-CA-C 112.126 0.417 . . . . 0.0 112.126 . . . . . . . . . 0 0 . 1 . 027 nuclear nobuild full ' B' B ' 2' ' ' VAL . . . . . . . . . . . . . 47.7 t -136.4 129.47 46.19 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.821 0 C-N-CA 125.419 1.488 . . . . 0.0 108.915 172.779 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' B' B ' 3' ' ' ASN . . . . . . . . . . . . . 75.6 m-20 -59.8 136.9 58.14 Favored 'General case' 0 N--CA 1.469 0.49 0 CA-C-O 121.149 0.499 . . . . 0.0 111.817 178.898 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' B' B ' 4' ' ' GLN . . . . . . . . . . . . . 6.7 pt20 -164.99 163.92 20.67 Favored 'General case' 0 CA--C 1.536 0.442 0 C-N-CA 125.194 1.397 . . . . 0.0 110.347 179.687 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' B' B ' 5' ' ' HIS . . . . . . . . . . . . . 21.1 m-70 -72.0 72.41 0.85 Allowed 'General case' 0 CA--C 1.549 0.906 0 C-N-CA 125.945 1.698 . . . . 0.0 111.635 171.621 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 74.0 mt -66.16 131.31 45.87 Favored 'General case' 0 N--CA 1.471 0.585 0 C-N-CA 124.629 1.171 . . . . 0.0 112.36 -178.11 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' B' B ' 7' ' ' CYS . . . . . . . . . . . . . 2.4 t -151.83 161.82 42.04 Favored 'General case' 0 CA--C 1.541 0.615 0 N-CA-C 112.951 0.723 . . . . 0.0 112.951 176.799 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' B' B ' 8' ' ' GLY . . . . . . . . . . . . . . . 57.76 -136.18 51.03 Favored Glycine 0 CA--C 1.534 1.236 0 C-N-CA 124.135 0.874 . . . . 0.0 113.12 178.165 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' B' B ' 9' ' ' SER . . . . . . . . . . . . . 25.5 m -57.65 -36.73 72.25 Favored 'General case' 0 N--CA 1.472 0.671 0 C-N-CA 123.795 0.838 . . . . 0.0 112.787 178.533 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' B' B ' 10' ' ' HIS . . . . . . . . . . . . . 32.4 m170 -62.99 -37.48 87.3 Favored 'General case' 0 N--CA 1.471 0.622 0 C-N-CA 123.644 0.778 . . . . 0.0 112.354 178.164 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 48.4 tp -68.2 -42.19 80.22 Favored 'General case' 0 CA--C 1.537 0.465 0 C-N-CA 124.068 0.947 . . . . 0.0 112.073 176.76 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 86.7 t -66.45 -43.8 90.83 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.741 0 C-N-CA 123.786 0.834 . . . . 0.0 111.022 176.538 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 42.7 mt-10 -64.5 -41.64 96.31 Favored 'General case' 0 N--CA 1.469 0.493 0 O-C-N 121.534 -0.729 . . . . 0.0 112.055 176.472 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -64.6 -36.5 84.45 Favored 'General case' 0 CA--C 1.543 0.673 0 N-CA-C 113.37 0.878 . . . . 0.0 113.37 -178.1 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' B' B ' 15' ' ' LEU . . . . . 0.422 ' HA ' HG12 ' B' ' 18' ' ' VAL . 3.8 pp -80.95 -31.2 35.0 Favored 'General case' 0 N--CA 1.47 0.555 0 O-C-N 121.56 -0.712 . . . . 0.0 112.208 178.83 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' B' B ' 16' ' ' TYR . . . . . . . . . . . . . 5.7 t80 -63.44 -39.63 94.99 Favored 'General case' 0 CA--C 1.542 0.667 0 C-N-CA 124.693 1.197 . . . . 0.0 111.12 169.561 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 36.7 mt -71.97 -48.61 43.79 Favored 'General case' 0 N--CA 1.466 0.367 0 C-N-CA 124.5 1.12 . . . . 0.0 112.856 178.076 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' B' B ' 18' ' ' VAL . . . . . 0.422 HG12 ' HA ' ' B' ' 15' ' ' LEU . 4.4 p -65.84 -32.78 59.68 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.812 0 CA-C-N 118.332 0.514 . . . . 0.0 112.029 -174.646 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' B' B ' 19' ' ' CYS . . . . . . . . . . . . . 84.0 m -93.07 -27.44 16.96 Favored 'General case' 0 CA--C 1.538 0.483 0 N-CA-C 113.351 0.871 . . . . 0.0 113.351 -179.689 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . 60.81 24.97 63.13 Favored Glycine 0 CA--C 1.533 1.186 0 C-N-CA 124.497 1.046 . . . . 0.0 114.473 173.226 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 40.2 tt0 -54.1 -30.74 49.73 Favored 'General case' 0 N--CA 1.48 1.025 0 N-CA-C 114.978 1.473 . . . . 0.0 114.978 -161.859 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' B' B ' 22' ' ' ARG . . . . . . . . . . . . . 3.9 ppt_? -78.46 -2.72 39.9 Favored 'General case' 0 N--CA 1.477 0.905 0 N-CA-C 115.657 1.725 . . . . 0.0 115.657 178.968 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . -79.55 18.54 6.92 Favored Glycine 0 CA--C 1.536 1.371 0 N-CA-C 116.68 1.432 . . . . 0.0 116.68 -171.656 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' B' B ' 24' ' ' DHI . . . . . 0.669 ' HD1' ' H ' ' B' ' 26' ' ' TYR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' B' B ' 25' ' ' PHE . . . . . . . . . . . . . 74.8 m-85 -77.73 -13.86 59.77 Favored 'General case' 0 N--CA 1.477 0.915 0 N-CA-C 114.846 1.425 . . . . 0.0 114.846 179.99 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' B' B ' 26' ' ' TYR . . . . . 0.669 ' H ' ' HD1' ' B' ' 24' ' ' DHI . 71.5 m-85 -115.2 137.54 51.91 Favored 'General case' 0 C--N 1.321 -0.658 0 C-N-CA 126.722 2.009 . . . . 0.0 112.434 -177.498 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' B' B ' 27' ' ' THR . . . . . . . . . . . . . 63.4 m -138.1 110.03 8.4 Favored Pre-proline 0 N--CA 1.475 0.819 0 C-N-CA 125.303 1.441 . . . . 0.0 109.745 177.134 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' B' B ' 28' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_exo -61.92 147.43 95.2 Favored 'Trans proline' 0 CA--C 1.541 0.828 0 C-N-CA 123.408 2.738 . . . . 0.0 113.335 174.489 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 22.4 tptm 62.23 149.33 0.02 OUTLIER 'General case' 0 N--CA 1.484 1.226 0 C-N-CA 128.132 2.573 . . . . 0.0 114.881 -175.173 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' B' B ' 30' ' ' THR . . . . . . . . . . . . . 27.1 m . . . . . 0 C--O 1.253 1.251 0 C-N-CA 126.592 1.957 . . . . 0.0 110.73 -179.825 . . . . . . . . 0 0 . 1 . 028 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.61 0 N-CA-C 110.248 -1.141 . . . . 0.0 110.248 . . . . . . . . . 0 0 . 1 . 028 nuclear nobuild full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 5.1 tp -81.74 -43.42 19.84 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.036 0 C-N-CA 123.801 0.84 . . . . 0.0 110.88 165.935 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 44.3 t -65.86 153.76 8.17 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.702 0 C-N-CA 124.933 1.293 . . . . 0.0 110.132 165.709 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 39.5 mt-10 66.07 -60.31 0.3 Allowed 'General case' 0 N--CA 1.47 0.57 0 C-N-CA 127.828 2.451 . . . . 0.0 112.392 -161.59 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 3.5 mp0 -59.54 -40.58 87.71 Favored 'General case' 0 N--CA 1.474 0.748 0 CA-C-N 119.396 0.998 . . . . 0.0 113.69 -171.55 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 19.1 m -94.3 -4.7 48.25 Favored 'General case' 0 CA--C 1.546 0.823 0 N-CA-C 114.856 1.428 . . . . 0.0 114.856 174.716 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 51.2 t -99.92 -31.33 11.53 Favored 'General case' 0 CA--C 1.545 0.786 0 C-N-CA 125.166 1.386 . . . . 0.0 113.724 179.826 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 6.2 t -78.92 -20.46 49.3 Favored 'General case' 0 N--CA 1.479 0.977 0 C-N-CA 125.202 1.401 . . . . 0.0 113.352 -175.44 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 8.6 t -145.96 175.75 10.21 Favored 'General case' 0 CA--C 1.537 0.48 0 C-N-CA 126.126 1.771 . . . . 0.0 110.255 172.168 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 26.2 mt -61.26 138.02 22.63 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.65 0 C-N-CA 123.611 0.764 . . . . 0.0 110.886 176.18 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 6.6 t -136.27 143.75 44.41 Favored 'General case' 0 CA--C 1.54 0.569 0 C-N-CA 124.949 1.299 . . . . 0.0 111.378 177.722 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 40.0 m -125.46 160.16 30.15 Favored 'General case' 0 N--CA 1.473 0.679 0 C-N-CA 125.012 1.325 . . . . 0.0 112.254 -167.3 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 2.2 pp -57.56 -32.92 67.61 Favored 'General case' 0 N--CA 1.473 0.707 0 O-C-N 121.41 -0.806 . . . . 0.0 113.111 -174.424 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 52.5 m-85 -65.56 -23.02 66.75 Favored 'General case' 0 CA--C 1.54 0.585 0 C-N-CA 125.175 1.39 . . . . 0.0 113.392 177.434 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 40.7 mt-30 -82.55 -46.72 13.0 Favored 'General case' 0 N--CA 1.466 0.348 0 C-N-CA 124.747 1.219 . . . . 0.0 110.442 170.981 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 86.5 mt -56.22 -31.11 63.2 Favored 'General case' 0 N--CA 1.474 0.741 0 C-N-CA 125.049 1.34 . . . . 0.0 113.455 179.664 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 62.1 mt-10 -59.53 -27.02 65.82 Favored 'General case' 0 CA--C 1.544 0.72 0 N-CA-C 113.917 1.08 . . . . 0.0 113.917 175.029 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 43.7 m-80 -73.2 -29.71 63.01 Favored 'General case' 0 N--CA 1.473 0.692 0 O-C-N 121.18 -0.95 . . . . 0.0 111.967 175.658 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 83.4 m-85 -78.74 -31.93 46.52 Favored 'General case' 0 CA--C 1.541 0.608 0 C-N-CA 124.673 1.189 . . . . 0.0 111.643 174.358 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 41.3 t -64.84 -45.75 84.82 Favored 'General case' 0 CA--C 1.545 0.767 0 C-N-CA 124.422 1.089 . . . . 0.0 111.851 168.934 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 50.8 t-20 . . . . . 0 CA--C 1.543 0.691 0 C-N-CA 125.147 1.379 . . . . 0.0 111.456 179.308 . . . . . . . . 0 0 . 1 . 028 nuclear nobuild full ' B' B ' 1' ' ' PHE . . . . . . . . . . . . . 42.3 t80 . . . . . 0 CA--C 1.541 0.634 0 N-CA-C 112.052 0.39 . . . . 0.0 112.052 . . . . . . . . . 0 0 . 1 . 028 nuclear nobuild full ' B' B ' 2' ' ' VAL . . . . . . . . . . . . . 48.3 t -136.32 127.49 42.9 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.927 0 C-N-CA 125.363 1.465 . . . . 0.0 109.367 174.639 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' B' B ' 3' ' ' ASN . . . . . . . . . . . . . 38.6 m-20 -63.02 138.5 58.58 Favored 'General case' 0 N--CA 1.469 0.485 0 C-N-CA 123.094 0.557 . . . . 0.0 111.467 -179.539 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' B' B ' 4' ' ' GLN . . . . . . . . . . . . . 8.0 pt20 -165.54 163.55 19.41 Favored 'General case' 0 CA--C 1.532 0.28 0 C-N-CA 124.617 1.167 . . . . 0.0 110.792 -177.098 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' B' B ' 5' ' ' HIS . . . . . . . . . . . . . 24.4 m-70 -69.58 77.76 0.42 Allowed 'General case' 0 CA--C 1.544 0.745 0 C-N-CA 125.882 1.673 . . . . 0.0 110.238 164.79 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 42.3 mt -62.53 119.34 8.99 Favored 'General case' 0 N--CA 1.47 0.545 0 C-N-CA 124.931 1.293 . . . . 0.0 112.535 -172.755 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' B' B ' 7' ' ' CYS . . . . . . . . . . . . . 0.7 OUTLIER -163.56 178.72 7.76 Favored 'General case' 0 CA--C 1.542 0.651 0 C-N-CA 123.952 0.901 . . . . 0.0 111.564 -174.981 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' B' B ' 8' ' ' GLY . . . . . . . . . . . . . . . 61.03 37.62 94.18 Favored Glycine 0 N--CA 1.478 1.435 0 O-C-N 120.661 -1.275 . . . . 0.0 115.006 170.47 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' B' B ' 9' ' ' SER . . . . . . . . . . . . . 1.6 t 70.22 -8.82 0.81 Allowed 'General case' 0 N--CA 1.476 0.861 0 C-N-CA 128.653 2.781 . . . . 0.0 116.255 -172.426 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' B' B ' 10' ' ' HIS . . . . . . . . . . . . . 28.6 m-70 -62.11 -32.0 72.51 Favored 'General case' 0 N--CA 1.479 0.983 0 O-C-N 120.125 -1.61 . . . . 0.0 111.273 167.439 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 55.3 tp -58.33 -42.83 87.65 Favored 'General case' 0 CA--C 1.538 0.496 0 C-N-CA 125.634 1.574 . . . . 0.0 112.869 170.965 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 47.3 t -70.64 -43.19 77.77 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.664 0 C-N-CA 124.031 0.932 . . . . 0.0 110.337 179.508 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 45.3 mt-10 -63.89 -40.57 96.83 Favored 'General case' 0 N--CA 1.471 0.594 0 O-C-N 121.801 -0.562 . . . . 0.0 112.286 175.303 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -64.37 -39.17 93.35 Favored 'General case' 0 CA--C 1.541 0.632 0 O-C-N 121.346 -0.847 . . . . 0.0 112.935 179.559 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' B' B ' 15' ' ' LEU . . . . . 0.423 ' HA ' HG12 ' B' ' 18' ' ' VAL . 3.6 pp -79.62 -30.21 41.31 Favored 'General case' 0 N--CA 1.468 0.461 0 O-C-N 121.811 -0.555 . . . . 0.0 111.731 178.278 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' B' B ' 16' ' ' TYR . . . . . . . . . . . . . 3.6 t80 -62.34 -40.78 97.49 Favored 'General case' 0 CA--C 1.54 0.577 0 C-N-CA 123.814 0.845 . . . . 0.0 111.423 170.033 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 40.4 mt -67.94 -47.67 68.05 Favored 'General case' 0 N--CA 1.467 0.399 0 C-N-CA 123.284 0.634 . . . . 0.0 112.128 -179.499 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' B' B ' 18' ' ' VAL . . . . . 0.423 HG12 ' HA ' ' B' ' 15' ' ' LEU . 5.1 p -73.22 -27.39 24.02 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.953 0 N-CA-C 113.183 0.809 . . . . 0.0 113.183 -177.451 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' B' B ' 19' ' ' CYS . . . . . . . . . . . . . 6.5 t -90.43 -37.18 14.13 Favored 'General case' 0 CA--C 1.542 0.655 0 C-N-CA 124.009 0.924 . . . . 0.0 112.78 -179.624 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . -86.03 -22.08 50.27 Favored Glycine 0 CA--C 1.536 1.362 0 C-N-CA 124.959 1.266 . . . . 0.0 115.097 -178.076 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 33.3 tt0 -139.93 138.91 35.98 Favored 'General case' 0 N--CA 1.471 0.611 0 CA-C-N 118.86 1.33 . . . . 0.0 111.666 178.708 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' B' B ' 22' ' ' ARG . . . . . . . . . . . . . 24.2 mmm180 -112.02 -0.79 15.59 Favored 'General case' 0 N--CA 1.474 0.765 0 C-N-CA 125.582 1.553 . . . . 0.0 114.417 -178.078 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . -73.73 -57.91 4.73 Favored Glycine 0 CA--C 1.534 1.227 0 C-N-CA 125.026 1.298 . . . . 0.0 113.786 -176.862 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' B' B ' 24' ' ' DHI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 028 nuclear nobuild full ' B' B ' 25' ' ' PHE . . . . . . . . . . . . . 39.7 m-85 -66.83 153.95 42.1 Favored 'General case' 0 CA--C 1.542 0.645 0 C-N-CA 124.785 1.234 . . . . 0.0 113.401 -173.663 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' B' B ' 26' ' ' TYR . . . . . . . . . . . . . 71.7 m-85 -66.46 144.13 56.68 Favored 'General case' 0 CA--C 1.541 0.603 0 C-N-CA 124.094 0.957 . . . . 0.0 112.641 -179.121 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' B' B ' 27' ' ' THR . . . . . . . . . . . . . 10.0 m 45.94 72.35 1.27 Allowed Pre-proline 0 N--CA 1.481 1.09 0 C-N-CA 126.78 2.032 . . . . 0.0 113.785 179.727 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' B' B ' 28' ' ' PRO . . . . . . . . . . . . . 52.6 Cg_exo -59.07 151.89 63.03 Favored 'Trans proline' 0 CA--C 1.54 0.782 0 C-N-CA 123.418 2.746 . . . . 0.0 113.552 176.874 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 32.3 mmmt -130.74 153.19 49.27 Favored 'General case' 0 N--CA 1.474 0.749 0 C-N-CA 126.331 1.852 . . . . 0.0 111.054 -179.688 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' B' B ' 30' ' ' THR . . . . . . . . . . . . . 14.8 t . . . . . 0 C--O 1.253 1.27 0 C-N-CA 126.509 1.923 . . . . 0.0 111.745 178.125 . . . . . . . . 0 0 . 1 . 029 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.482 1.711 0 N-CA-C 112.241 -0.344 . . . . 0.0 112.241 . . . . . . . . . 0 0 . 1 . 029 nuclear nobuild full ' A' A ' 2' ' ' ILE . . . . . 0.439 HD13 ' CD2' ' A' ' 19' ' ' TYR . 4.7 tp -49.21 -43.5 16.23 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.067 0 C-N-CA 126.701 2.0 . . . . 0.0 114.814 -173.951 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 7.1 p -68.4 -46.25 80.9 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.872 0 O-C-N 121.264 -0.897 . . . . 0.0 111.968 178.62 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 41.4 tt0 -67.69 -29.15 68.35 Favored 'General case' 0 CA--C 1.543 0.697 0 C-N-CA 124.169 0.988 . . . . 0.0 112.525 177.682 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 6.3 tp-100 -63.35 -40.02 96.13 Favored 'General case' 0 CA--C 1.538 0.496 0 C-N-CA 124.213 1.005 . . . . 0.0 112.178 175.954 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 90.6 m -119.18 -25.22 6.21 Favored 'General case' 0 CA--C 1.544 0.722 0 N-CA-C 116.183 1.92 . . . . 0.0 116.183 -164.377 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 19.9 t -81.37 -30.36 33.74 Favored 'General case' 0 CA--C 1.543 0.71 0 CA-C-N 119.904 1.229 . . . . 0.0 113.012 -170.775 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 10.7 t -101.22 -18.43 16.15 Favored 'General case' 0 N--CA 1.479 0.996 0 C-N-CA 125.153 1.381 . . . . 0.0 113.895 -176.586 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 8.3 t -151.85 167.61 27.75 Favored 'General case' 0 N--CA 1.472 0.648 0 C-N-CA 125.556 1.542 . . . . 0.0 111.303 179.324 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 25.1 mt -61.01 139.15 20.79 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.599 0 C-N-CA 124.322 1.049 . . . . 0.0 111.3 178.389 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 14.4 p -132.55 167.99 19.03 Favored 'General case' 0 CA--C 1.543 0.701 0 C-N-CA 124.193 0.997 . . . . 0.0 112.194 168.794 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 65.4 m -129.19 159.1 37.11 Favored 'General case' 0 N--CA 1.474 0.75 0 C-N-CA 124.8 1.24 . . . . 0.0 112.559 -173.401 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 2.0 pp -58.33 -31.98 68.06 Favored 'General case' 0 N--CA 1.472 0.639 0 C-N-CA 124.081 0.953 . . . . 0.0 113.113 -175.611 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 51.2 m-85 -66.43 -22.12 66.22 Favored 'General case' 0 CA--C 1.54 0.56 0 C-N-CA 125.251 1.421 . . . . 0.0 113.312 177.315 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 38.6 mt-30 -85.69 -40.65 15.92 Favored 'General case' 0 N--CA 1.467 0.413 0 C-N-CA 124.765 1.226 . . . . 0.0 110.8 172.153 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 83.7 mt -60.84 -32.33 71.73 Favored 'General case' 0 CA--C 1.544 0.74 0 C-N-CA 123.491 0.716 . . . . 0.0 112.663 173.728 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 5.0 mm-40 -58.27 -29.49 65.84 Favored 'General case' 0 N--CA 1.473 0.682 0 C-N-CA 124.723 1.209 . . . . 0.0 113.437 171.85 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 83.9 m-20 -69.82 -34.55 73.83 Favored 'General case' 0 CA--C 1.54 0.576 0 O-C-N 120.889 -1.132 . . . . 0.0 111.527 176.773 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 19' ' ' TYR . . . . . 0.439 ' CD2' HD13 ' A' ' 2' ' ' ILE . 38.6 m-85 -78.45 -27.96 46.53 Favored 'General case' 0 CA--C 1.541 0.62 0 C-N-CA 124.095 0.958 . . . . 0.0 112.367 174.795 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 41.0 t -63.84 -36.93 85.52 Favored 'General case' 0 CA--C 1.546 0.809 0 C-N-CA 123.884 0.874 . . . . 0.0 112.091 167.799 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 CA--C 1.541 0.599 0 C-N-CA 124.676 1.19 . . . . 0.0 112.044 176.543 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' B' B ' 1' ' ' PHE . . . . . . . . . . . . . 37.6 t80 . . . . . 0 CA--C 1.541 0.611 0 N-CA-C 111.994 0.368 . . . . 0.0 111.994 . . . . . . . . . 0 0 . 1 . 029 nuclear nobuild full ' B' B ' 2' ' ' VAL . . . . . . . . . . . . . 48.3 t -137.75 131.55 43.15 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.838 0 C-N-CA 125.497 1.519 . . . . 0.0 108.652 170.193 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' B' B ' 3' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -56.94 137.88 54.81 Favored 'General case' 0 N--CA 1.47 0.551 0 N-CA-C 113.232 0.826 . . . . 0.0 113.232 177.6 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' B' B ' 4' ' ' GLN . . . . . . . . . . . . . 7.7 pt20 -168.55 160.98 11.33 Favored 'General case' 0 N--CA 1.45 -0.449 0 C-N-CA 126.605 1.962 . . . . 0.0 108.934 -177.963 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' B' B ' 5' ' ' HIS . . . . . 0.481 ' H ' ' CD2' ' B' ' 5' ' ' HIS . 10.5 m-70 -61.2 135.83 57.87 Favored 'General case' 0 CA--C 1.541 0.629 0 C-N-CA 124.701 1.201 . . . . 0.0 109.593 161.753 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 63.0 mt -139.46 130.03 25.78 Favored 'General case' 0 N--CA 1.471 0.593 0 C-N-CA 124.963 1.305 . . . . 0.0 110.572 -176.663 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' B' B ' 7' ' ' CYS . . . . . . . . . . . . . 3.0 t -149.53 161.28 42.45 Favored 'General case' 0 CA--C 1.54 0.583 0 C-N-CA 123.41 0.684 . . . . 0.0 112.454 178.765 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' B' B ' 8' ' ' GLY . . . . . . . . . . . . . . . 57.46 -138.34 48.23 Favored Glycine 0 CA--C 1.533 1.211 0 C-N-CA 124.112 0.863 . . . . 0.0 113.07 179.574 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' B' B ' 9' ' ' SER . . . . . . . . . . . . . 21.4 m -57.61 -32.73 67.51 Favored 'General case' 0 N--CA 1.472 0.636 0 C-N-CA 123.958 0.903 . . . . 0.0 113.296 179.447 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' B' B ' 10' ' ' HIS . . . . . . . . . . . . . 29.1 m-70 -67.34 -36.69 81.94 Favored 'General case' 0 N--CA 1.473 0.705 0 O-C-N 121.528 -0.732 . . . . 0.0 112.025 177.885 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 41.3 tp -68.5 -41.93 79.32 Favored 'General case' 0 N--CA 1.469 0.478 0 C-N-CA 123.58 0.752 . . . . 0.0 111.945 174.393 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 85.8 t -62.8 -45.32 99.15 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.794 0 C-N-CA 123.752 0.821 . . . . 0.0 110.888 175.794 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 37.8 mt-10 -64.82 -40.6 95.48 Favored 'General case' 0 CA--C 1.537 0.46 0 O-C-N 121.625 -0.672 . . . . 0.0 112.229 176.77 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -62.49 -39.96 95.18 Favored 'General case' 0 CA--C 1.542 0.669 0 CA-C-N 119.133 0.878 . . . . 0.0 112.826 178.112 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' B' B ' 15' ' ' LEU . . . . . 0.408 ' HA ' HG12 ' B' ' 18' ' ' VAL . 3.5 pp -78.76 -27.06 44.63 Favored 'General case' 0 CA--C 1.54 0.559 0 O-C-N 121.805 -0.56 . . . . 0.0 112.476 178.04 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' B' B ' 16' ' ' TYR . . . . . . . . . . . . . 1.5 t80 -67.09 -40.99 87.07 Favored 'General case' 0 CA--C 1.537 0.472 0 C-N-CA 123.774 0.829 . . . . 0.0 111.708 169.204 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 39.2 mt -67.77 -44.25 77.9 Favored 'General case' 0 CA--C 1.535 0.393 0 O-C-N 121.413 -0.804 . . . . 0.0 112.127 -178.901 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' B' B ' 18' ' ' VAL . . . . . 0.408 HG12 ' HA ' ' B' ' 15' ' ' LEU . 4.8 p -72.59 -32.81 42.77 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.729 0 C-N-CA 122.834 0.453 . . . . 0.0 112.154 -179.441 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' B' B ' 19' ' ' CYS . . . . . . . . . . . . . 9.1 t -89.35 -40.66 12.62 Favored 'General case' 0 CA--C 1.539 0.556 0 C-N-CA 123.493 0.717 . . . . 0.0 112.897 -175.033 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . -80.39 -24.11 59.54 Favored Glycine 0 CA--C 1.533 1.21 0 C-N-CA 124.695 1.141 . . . . 0.0 114.284 176.885 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 2.7 mm-40 52.19 -164.96 0.06 Allowed 'General case' 0 CA--C 1.553 1.08 0 C-N-CA 126.067 1.747 . . . . 0.0 113.358 179.983 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' B' B ' 22' ' ' ARG . . . . . . . . . . . . . 13.1 ptm180 -64.31 -16.81 62.9 Favored 'General case' 0 N--CA 1.477 0.878 0 O-C-N 120.103 -1.623 . . . . 0.0 114.321 175.084 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . -80.04 -21.86 64.63 Favored Glycine 0 CA--C 1.533 1.192 0 C-N-CA 125.186 1.374 . . . . 0.0 115.432 -178.539 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' B' B ' 24' ' ' DHI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 029 nuclear nobuild full ' B' B ' 25' ' ' PHE . . . . . . . . . . . . . 26.9 m-85 -67.89 165.01 18.5 Favored 'General case' 0 CA--C 1.544 0.745 0 C-N-CA 124.634 1.174 . . . . 0.0 113.022 -177.139 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' B' B ' 26' ' ' TYR . . . . . . . . . . . . . 69.6 m-85 -63.39 144.19 57.18 Favored 'General case' 0 CA--C 1.539 0.549 0 C-N-CA 123.769 0.828 . . . . 0.0 112.673 -179.758 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' B' B ' 27' ' ' THR . . . . . . . . . . . . . 95.7 m -123.55 107.84 31.59 Favored Pre-proline 0 N--CA 1.475 0.8 0 C-N-CA 125.023 1.329 . . . . 0.0 110.178 178.238 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' B' B ' 28' ' ' PRO . . . . . . . . . . . . . 77.4 Cg_exo -60.62 146.37 97.22 Favored 'Trans proline' 0 CA--C 1.538 0.723 0 C-N-CA 123.43 2.753 . . . . 0.0 113.397 174.928 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 22.6 ptmt -151.05 159.24 44.65 Favored 'General case' 0 N--CA 1.475 0.811 0 C-N-CA 125.865 1.666 . . . . 0.0 112.222 -179.184 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' B' B ' 30' ' ' THR . . . . . . . . . . . . 0.324 13.3 t . . . . . 0 N--CA 1.485 1.281 0 C-N-CA 128.08 2.552 . . . . 0.0 114.273 -179.701 . . . . . . . . 1 1 . 1 stop_ save_